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[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000009987122 1071829517 /nfs/dbraw/zinc/82/95/17/1071829517.db2.gz KZCIAUWEAJEBLJ-MRXNPFEDSA-N 1 0 419.544 -0.326 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000009987128 1071829570 /nfs/dbraw/zinc/82/95/70/1071829570.db2.gz KZCIAUWEAJEBLJ-INIZCTEOSA-N 1 0 419.544 -0.326 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000010053118 1071862294 /nfs/dbraw/zinc/86/22/94/1071862294.db2.gz CMVJIOOJSIVZMS-HNNXBMFYSA-N 1 0 400.501 -0.171 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000010053119 1071862006 /nfs/dbraw/zinc/86/20/06/1071862006.db2.gz CMVJIOOJSIVZMS-OAHLLOKOSA-N 1 0 400.501 -0.171 20 0 HBADRO CCCCn1c(N)c(N(C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]c1=O ZINC000011237346 1069169994 /nfs/dbraw/zinc/16/99/94/1069169994.db2.gz JSGCHKYJVBPRAT-OAHLLOKOSA-N 1 0 424.546 -0.172 20 0 HBADRO CCCCn1c(N)c(N(C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)[nH]c1=O ZINC000011237348 1069169944 /nfs/dbraw/zinc/16/99/44/1069169944.db2.gz JSGCHKYJVBPRAT-HNNXBMFYSA-N 1 0 424.546 -0.172 20 0 HBADRO Nc1cc(N)[nH+]c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000011391127 1069061801 /nfs/dbraw/zinc/06/18/01/1069061801.db2.gz INZRVNXSOBZWPI-MNOVXSKESA-N 1 0 401.514 -0.072 20 0 HBADRO Nc1cc(N)[nH+]c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000011391130 1069061771 /nfs/dbraw/zinc/06/17/71/1069061771.db2.gz INZRVNXSOBZWPI-GHMZBOCLSA-N 1 0 401.514 -0.072 20 0 HBADRO Nc1cc(N)[nH+]c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000011391135 1069061749 /nfs/dbraw/zinc/06/17/49/1069061749.db2.gz INZRVNXSOBZWPI-QWRGUYRKSA-N 1 0 401.514 -0.072 20 0 HBADRO Nc1cc(N)[nH+]c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000011391138 1068208633 /nfs/dbraw/zinc/20/86/33/1068208633.db2.gz INZRVNXSOBZWPI-WDEREUQCSA-N 1 0 401.514 -0.072 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000011398381 1071843225 /nfs/dbraw/zinc/84/32/25/1071843225.db2.gz VVEBMVVNWBRFET-CABCVRRESA-N 1 0 405.517 -0.573 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000011398384 1071843621 /nfs/dbraw/zinc/84/36/21/1071843621.db2.gz VVEBMVVNWBRFET-GJZGRUSLSA-N 1 0 405.517 -0.573 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000011483208 1071844631 /nfs/dbraw/zinc/84/46/31/1071844631.db2.gz ZZCQRQSBALXMPX-CQSZACIVSA-N 1 0 420.470 -0.854 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000011483209 1071844831 /nfs/dbraw/zinc/84/48/31/1071844831.db2.gz ZZCQRQSBALXMPX-AWEZNQCLSA-N 1 0 420.470 -0.854 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cn2)CC1 ZINC000011533483 1071845547 /nfs/dbraw/zinc/84/55/47/1071845547.db2.gz FPURNJAZGFTPBO-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000014305221 1071860793 /nfs/dbraw/zinc/86/07/93/1071860793.db2.gz HYSDPSCUVDBTJC-UHFFFAOYSA-N 1 0 416.548 -0.836 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CC[NH+](C)CC3)nc1)c(=O)n2C ZINC000014520233 1069411094 /nfs/dbraw/zinc/41/10/94/1069411094.db2.gz FSCDJASMEUELNY-UHFFFAOYSA-N 1 0 412.454 -0.781 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c2c(=O)n(C)c1=O ZINC000014520504 1069411125 /nfs/dbraw/zinc/41/11/25/1069411125.db2.gz UJGSEGASDCYKBL-UHFFFAOYSA-N 1 0 412.454 -0.781 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000018201988 1069017834 /nfs/dbraw/zinc/01/78/34/1069017834.db2.gz PXLNPDXDZLDUNP-AWEZNQCLSA-N 1 0 406.487 -0.703 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000018201989 1069017727 /nfs/dbraw/zinc/01/77/27/1069017727.db2.gz PXLNPDXDZLDUNP-CQSZACIVSA-N 1 0 406.487 -0.703 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O ZINC000020631295 1069050875 /nfs/dbraw/zinc/05/08/75/1069050875.db2.gz UQDAQONYCACSLW-UHFFFAOYSA-N 1 0 421.523 -0.033 20 0 HBADRO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020944542 1069381453 /nfs/dbraw/zinc/38/14/53/1069381453.db2.gz STGORQRNYMKVPP-INIZCTEOSA-N 1 0 410.515 -0.499 20 0 HBADRO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020944546 1069381499 /nfs/dbraw/zinc/38/14/99/1069381499.db2.gz STGORQRNYMKVPP-MRXNPFEDSA-N 1 0 410.515 -0.499 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000021578812 1069020022 /nfs/dbraw/zinc/02/00/22/1069020022.db2.gz LRVYTMZZYHPTBA-UHFFFAOYSA-N 1 0 412.487 -0.144 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000021578860 1069019674 /nfs/dbraw/zinc/01/96/74/1069019674.db2.gz YFOCJIRCLCJIGI-UHFFFAOYSA-N 1 0 408.524 -0.142 20 0 HBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cnccn2)CC1)c1cnccn1 ZINC000022870504 1070714132 /nfs/dbraw/zinc/71/41/32/1070714132.db2.gz YYQJSNKXSIVKRM-UHFFFAOYSA-N 1 0 412.498 -0.176 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000022912965 1069021134 /nfs/dbraw/zinc/02/11/34/1069021134.db2.gz JYYOAGHLYXCOFV-UHFFFAOYSA-N 1 0 416.569 -0.003 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000022913328 1069020994 /nfs/dbraw/zinc/02/09/94/1069020994.db2.gz GHQAXKJMULBMPK-UHFFFAOYSA-N 1 0 402.542 -0.347 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000022913394 1069020831 /nfs/dbraw/zinc/02/08/31/1069020831.db2.gz QAFGKVUQFZBKCY-UHFFFAOYSA-N 1 0 402.542 -0.347 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CC[NH+](C)CC3)cc1)c(=O)n2C ZINC000023133945 1068750130 /nfs/dbraw/zinc/75/01/30/1068750130.db2.gz DZQCBUSGRISVPN-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2c(=O)n(C)c1=O ZINC000023134278 1068749912 /nfs/dbraw/zinc/74/99/12/1068749912.db2.gz QPRGZHLFFKUTIB-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 ZINC000023509589 1069022798 /nfs/dbraw/zinc/02/27/98/1069022798.db2.gz FBANVTFDMZPGEM-ZIAGYGMSSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000023509591 1069022993 /nfs/dbraw/zinc/02/29/93/1069022993.db2.gz FBANVTFDMZPGEM-OKILXGFUSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000023509594 1069022723 /nfs/dbraw/zinc/02/27/23/1069022723.db2.gz FBANVTFDMZPGEM-KBPBESRZSA-N 1 0 406.487 -0.561 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000023699777 1069022974 /nfs/dbraw/zinc/02/29/74/1069022974.db2.gz ZZNJHYUJDBZVID-UHFFFAOYSA-N 1 0 412.487 -0.144 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)cc1 ZINC000023699864 1069022615 /nfs/dbraw/zinc/02/26/15/1069022615.db2.gz BOUGXVBXLJIXBK-UHFFFAOYSA-N 1 0 424.523 -0.275 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000024509243 1069023916 /nfs/dbraw/zinc/02/39/16/1069023916.db2.gz AWEYAUZTVJNJNX-UHFFFAOYSA-N 1 0 402.561 -0.285 20 0 HBADRO CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024672291 1069024363 /nfs/dbraw/zinc/02/43/63/1069024363.db2.gz UJQWVXCQSHKTOF-UHFFFAOYSA-N 1 0 413.496 -0.395 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000024763930 1068286261 /nfs/dbraw/zinc/28/62/61/1068286261.db2.gz TYALKHGFTVHBEK-UHFFFAOYSA-N 1 0 413.500 -0.678 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000025318544 1068422819 /nfs/dbraw/zinc/42/28/19/1068422819.db2.gz YXOFHIGNMJFKRR-FQEVSTJZSA-N 1 0 417.554 -0.118 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000025318546 1068423098 /nfs/dbraw/zinc/42/30/98/1068423098.db2.gz YXOFHIGNMJFKRR-HXUWFJFHSA-N 1 0 417.554 -0.118 20 0 HBADRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000025355773 1069469561 /nfs/dbraw/zinc/46/95/61/1069469561.db2.gz ZHLWMNRIQRZSRI-QGZVFWFLSA-N 1 0 408.524 -0.140 20 0 HBADRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000025355778 1069469477 /nfs/dbraw/zinc/46/94/77/1069469477.db2.gz ZHLWMNRIQRZSRI-KRWDZBQOSA-N 1 0 408.524 -0.140 20 0 HBADRO C[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000025632482 1068519671 /nfs/dbraw/zinc/51/96/71/1068519671.db2.gz NZARTYSMJNXZER-AWEZNQCLSA-N 1 0 410.478 -0.003 20 0 HBADRO C[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000025632487 1068519880 /nfs/dbraw/zinc/51/98/80/1068519880.db2.gz NZARTYSMJNXZER-CQSZACIVSA-N 1 0 410.478 -0.003 20 0 HBADRO C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@@H+]1CCc2ccccc2C1 ZINC000025634051 1069207459 /nfs/dbraw/zinc/20/74/59/1069207459.db2.gz MMENLPJPOKTZNQ-AWEZNQCLSA-N 1 0 410.478 -0.003 20 0 HBADRO C[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@@H+]1CCc2ccccc2C1 ZINC000025634056 1069207434 /nfs/dbraw/zinc/20/74/34/1069207434.db2.gz MMENLPJPOKTZNQ-CQSZACIVSA-N 1 0 410.478 -0.003 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000026176026 1069224631 /nfs/dbraw/zinc/22/46/31/1069224631.db2.gz QGYHKGMRODRJBA-INIZCTEOSA-N 1 0 410.544 -0.081 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000026176032 1069225468 /nfs/dbraw/zinc/22/54/68/1069225468.db2.gz QGYHKGMRODRJBA-MRXNPFEDSA-N 1 0 410.544 -0.081 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026912828 1069636831 /nfs/dbraw/zinc/63/68/31/1069636831.db2.gz VAWWXVKFOATPHA-QGZVFWFLSA-N 1 0 415.542 -0.200 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026912831 1069636777 /nfs/dbraw/zinc/63/67/77/1069636777.db2.gz VAWWXVKFOATPHA-KRWDZBQOSA-N 1 0 415.542 -0.200 20 0 HBADRO Cn1cc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000026955610 1068428126 /nfs/dbraw/zinc/42/81/26/1068428126.db2.gz CSBBERONZUUDOS-UHFFFAOYSA-N 1 0 421.523 -0.820 20 0 HBADRO Cn1c2ncn(CC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000027145265 1069695056 /nfs/dbraw/zinc/69/50/56/1069695056.db2.gz IFSMLJZSBNQHJB-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1c2ncn(CC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000027145269 1069695265 /nfs/dbraw/zinc/69/52/65/1069695265.db2.gz IFSMLJZSBNQHJB-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[NH+](C(C)C)CC2)c(=O)[nH]c1=O ZINC000027419874 1069068380 /nfs/dbraw/zinc/06/83/80/1069068380.db2.gz NDNPQMWSEVUEQH-UHFFFAOYSA-N 1 0 424.546 -0.076 20 0 HBADRO COCCN(C(=O)CN1CC[NH+](C(C)C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000027420146 1069036873 /nfs/dbraw/zinc/03/68/73/1069036873.db2.gz IXPAFADIROSAEB-UHFFFAOYSA-N 1 0 424.546 -0.220 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c(=O)n2C ZINC000027591402 1068761987 /nfs/dbraw/zinc/76/19/87/1068761987.db2.gz TVQSBVHVESHYAJ-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c(=O)n2C ZINC000027591406 1068761747 /nfs/dbraw/zinc/76/17/47/1068761747.db2.gz TVQSBVHVESHYAJ-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO COc1cccc([C@@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[NH+](C)C)c1 ZINC000027594971 1070654499 /nfs/dbraw/zinc/65/44/99/1070654499.db2.gz UUOMBAKWHFFFPP-OAHLLOKOSA-N 1 0 414.466 -0.139 20 0 HBADRO COc1cccc([C@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[NH+](C)C)c1 ZINC000027594975 1070654412 /nfs/dbraw/zinc/65/44/12/1070654412.db2.gz UUOMBAKWHFFFPP-HNNXBMFYSA-N 1 0 414.466 -0.139 20 0 HBADRO Cn1c2ncn(CC[NH+]3CCC(C(=O)NCC(F)(F)F)CC3)c2c(=O)n(C)c1=O ZINC000027780652 1069165817 /nfs/dbraw/zinc/16/58/17/1069165817.db2.gz JLWDUIIWSKJMKR-UHFFFAOYSA-N 1 0 416.404 -0.176 20 0 HBADRO CN(C)C(=O)CN1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000028729957 1069397279 /nfs/dbraw/zinc/39/72/79/1069397279.db2.gz CFQFUBOUMANXJW-UHFFFAOYSA-N 1 0 409.575 -0.157 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000028844090 1069039602 /nfs/dbraw/zinc/03/96/02/1069039602.db2.gz NASGPHIXADSNBW-UHFFFAOYSA-N 1 0 418.523 -0.005 20 0 HBADRO NC(=O)c1ccsc1NC(=O)CCN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000028899602 1071896876 /nfs/dbraw/zinc/89/68/76/1071896876.db2.gz PRWCWUQKBOWEFB-UHFFFAOYSA-N 1 0 409.512 -0.348 20 0 HBADRO CC[NH+]1CCC(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)CC1 ZINC000028988649 1070658716 /nfs/dbraw/zinc/65/87/16/1070658716.db2.gz CTIOIACPZUAMMO-UHFFFAOYSA-N 1 0 410.500 -0.289 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000029190578 1069040841 /nfs/dbraw/zinc/04/08/41/1069040841.db2.gz YVIZNGXXMGCTDD-UHFFFAOYSA-N 1 0 410.496 -0.157 20 0 HBADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029190655 1069041187 /nfs/dbraw/zinc/04/11/87/1069041187.db2.gz QXFRUXLAUOOIDD-LLVKDONJSA-N 1 0 411.484 -0.171 20 0 HBADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029190657 1069040941 /nfs/dbraw/zinc/04/09/41/1069040941.db2.gz QXFRUXLAUOOIDD-NSHDSACASA-N 1 0 411.484 -0.171 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000029190781 1069040900 /nfs/dbraw/zinc/04/09/00/1069040900.db2.gz IIOPKFFBGKMYTI-UHFFFAOYSA-N 1 0 409.468 -0.464 20 0 HBADRO CCNC(=O)CN1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000029671016 1068529892 /nfs/dbraw/zinc/52/98/92/1068529892.db2.gz NDDKULZMBLTAHC-UHFFFAOYSA-N 1 0 409.575 -0.109 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCCC[N@@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000029838294 1068599888 /nfs/dbraw/zinc/59/98/88/1068599888.db2.gz FFCNTLHDEJKZFY-UHFFFAOYSA-N 1 0 410.478 -0.002 20 0 HBADRO Cn1c2ncn(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000029838912 1068599673 /nfs/dbraw/zinc/59/96/73/1068599673.db2.gz PVHSGCCFWXIOSG-UHFFFAOYSA-N 1 0 410.478 -0.002 20 0 HBADRO CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000029840051 1069045360 /nfs/dbraw/zinc/04/53/60/1069045360.db2.gz KBZRQLSAWLBIOP-UHFFFAOYSA-N 1 0 415.512 -0.149 20 0 HBADRO CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000029840056 1069045297 /nfs/dbraw/zinc/04/52/97/1069045297.db2.gz HDRZOKGOUUYFHM-UHFFFAOYSA-N 1 0 415.512 -0.149 20 0 HBADRO CNC(=O)NC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029977316 1069046073 /nfs/dbraw/zinc/04/60/73/1069046073.db2.gz BOHDFJOJYQXSND-UHFFFAOYSA-N 1 0 411.484 -0.170 20 0 HBADRO CCCS(=O)(=O)NC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000030134411 1068461208 /nfs/dbraw/zinc/46/12/08/1068461208.db2.gz JCKKIGVIFTYRMY-UHFFFAOYSA-N 1 0 412.516 -0.773 20 0 HBADRO Cn1c2ncn(CCC(=O)NCC[N@@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000030318074 1069046853 /nfs/dbraw/zinc/04/68/53/1069046853.db2.gz JTSHOJBBUXXDPT-UHFFFAOYSA-N 1 0 410.478 -0.002 20 0 HBADRO Cn1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c(=O)n(C)c1=O ZINC000030432074 1068915668 /nfs/dbraw/zinc/91/56/68/1068915668.db2.gz UTECXSZVPXJAMS-UHFFFAOYSA-N 1 0 402.542 -0.276 20 0 HBADRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 ZINC000031219878 1070317684 /nfs/dbraw/zinc/31/76/84/1070317684.db2.gz KICKZNDNVBBIEF-UHFFFAOYSA-N 1 0 415.494 -0.116 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CSc2nc(N)cc(N)[nH+]2)CC1 ZINC000031355748 1069052529 /nfs/dbraw/zinc/05/25/29/1069052529.db2.gz ZNTBSAWHVXOIPC-UHFFFAOYSA-N 1 0 400.472 -0.241 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000031576349 1070505723 /nfs/dbraw/zinc/50/57/23/1070505723.db2.gz QERNTAHVCNANLM-ZDUSSCGKSA-N 1 0 401.489 -0.135 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000031576355 1070505701 /nfs/dbraw/zinc/50/57/01/1070505701.db2.gz QERNTAHVCNANLM-CYBMUJFWSA-N 1 0 401.489 -0.135 20 0 HBADRO Cn1c2ncn(CC(=O)NCC3([NH+]4CCSCC4)CCCC3)c2c(=O)n(C)c1=O ZINC000031960475 1069055026 /nfs/dbraw/zinc/05/50/26/1069055026.db2.gz ISLCOTHOOKULIG-UHFFFAOYSA-N 1 0 420.539 -0.089 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCSCC3)CCCC1)c(=O)n2C ZINC000031960953 1069054946 /nfs/dbraw/zinc/05/49/46/1069054946.db2.gz YELHXIKBMDCKND-UHFFFAOYSA-N 1 0 420.539 -0.089 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000032268157 1071672784 /nfs/dbraw/zinc/67/27/84/1071672784.db2.gz ZMZGUIWIZQXNKS-CABCVRRESA-N 1 0 414.528 -0.375 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000032268158 1071672712 /nfs/dbraw/zinc/67/27/12/1071672712.db2.gz ZMZGUIWIZQXNKS-HUUCEWRRSA-N 1 0 414.528 -0.375 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000032758148 1068267513 /nfs/dbraw/zinc/26/75/13/1068267513.db2.gz YYWMWLVQEXAHAJ-SFHVURJKSA-N 1 0 416.478 -0.306 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000032758149 1068267346 /nfs/dbraw/zinc/26/73/46/1068267346.db2.gz YYWMWLVQEXAHAJ-GOSISDBHSA-N 1 0 416.478 -0.306 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000032760386 1069191830 /nfs/dbraw/zinc/19/18/30/1069191830.db2.gz PTBWFZOSEOOGPL-UHFFFAOYSA-N 1 0 409.556 -0.164 20 0 HBADRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1 ZINC000032764427 1071756379 /nfs/dbraw/zinc/75/63/79/1071756379.db2.gz TXLKQOPCFWKLFI-UHFFFAOYSA-N 1 0 401.467 -0.126 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000036830259 1069061731 /nfs/dbraw/zinc/06/17/31/1069061731.db2.gz WEAGZNWZLVUYLX-UHFFFAOYSA-N 1 0 418.523 -0.005 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC000041275972 1069069876 /nfs/dbraw/zinc/06/98/76/1069069876.db2.gz DVFFLUQTLUOMOF-OKILXGFUSA-N 1 0 419.482 -0.544 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC000041275973 1069069918 /nfs/dbraw/zinc/06/99/18/1069069918.db2.gz DVFFLUQTLUOMOF-KBPBESRZSA-N 1 0 419.482 -0.544 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C[C@@H](C)O1 ZINC000041275974 1069069994 /nfs/dbraw/zinc/06/99/94/1069069994.db2.gz DVFFLUQTLUOMOF-ZIAGYGMSSA-N 1 0 419.482 -0.544 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2C1=O ZINC000041324810 1069070760 /nfs/dbraw/zinc/07/07/60/1069070760.db2.gz HWINYIKXKJIUOL-UHFFFAOYSA-N 1 0 401.467 -0.007 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000041330485 1069070787 /nfs/dbraw/zinc/07/07/87/1069070787.db2.gz ADWQRZRFJVSHSV-QGZVFWFLSA-N 1 0 405.499 -0.123 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000041330488 1069070748 /nfs/dbraw/zinc/07/07/48/1069070748.db2.gz ADWQRZRFJVSHSV-KRWDZBQOSA-N 1 0 405.499 -0.123 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)N1CC[NH+](C)CC1 ZINC000041330697 1069069981 /nfs/dbraw/zinc/06/99/81/1069069981.db2.gz NJGLRQWTGRDWPJ-QGZVFWFLSA-N 1 0 400.487 -0.011 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)N1CC[NH+](C)CC1 ZINC000041330700 1069069908 /nfs/dbraw/zinc/06/99/08/1069069908.db2.gz NJGLRQWTGRDWPJ-KRWDZBQOSA-N 1 0 400.487 -0.011 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc2)CC1 ZINC000041404511 1069062690 /nfs/dbraw/zinc/06/26/90/1069062690.db2.gz CFNUZYKSHURQJV-UHFFFAOYSA-N 1 0 411.528 -0.572 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c(C)c2)CC1 ZINC000041404719 1069062593 /nfs/dbraw/zinc/06/25/93/1069062593.db2.gz TUZYXPCKTNKBKC-UHFFFAOYSA-N 1 0 411.528 -0.259 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000041640146 1069073060 /nfs/dbraw/zinc/07/30/60/1069073060.db2.gz NSTMYGQGGXWYKM-AWEZNQCLSA-N 1 0 411.528 -0.325 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000041640148 1069073108 /nfs/dbraw/zinc/07/31/08/1069073108.db2.gz NSTMYGQGGXWYKM-CQSZACIVSA-N 1 0 411.528 -0.325 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000041641108 1069073155 /nfs/dbraw/zinc/07/31/55/1069073155.db2.gz LERQWTUBOYZJRT-ZDUSSCGKSA-N 1 0 401.467 -0.007 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000041641110 1069073047 /nfs/dbraw/zinc/07/30/47/1069073047.db2.gz LERQWTUBOYZJRT-CYBMUJFWSA-N 1 0 401.467 -0.007 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000041718432 1071159351 /nfs/dbraw/zinc/15/93/51/1071159351.db2.gz GJVNYQLLFUNDJN-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)cc1 ZINC000041718965 1069073140 /nfs/dbraw/zinc/07/31/40/1069073140.db2.gz OHQHYFPNPQGGAJ-UHFFFAOYSA-N 1 0 405.499 -0.106 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000041718969 1069073076 /nfs/dbraw/zinc/07/30/76/1069073076.db2.gz KEOWWGGMXLZCEM-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)c1 ZINC000041718985 1069062540 /nfs/dbraw/zinc/06/25/40/1069062540.db2.gz XEQOPNWVEPGQCF-UHFFFAOYSA-N 1 0 405.499 -0.106 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000041719377 1069073920 /nfs/dbraw/zinc/07/39/20/1069073920.db2.gz AAMOUMMEJPEIGG-UHFFFAOYSA-N 1 0 411.528 -0.405 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000041719675 1069063466 /nfs/dbraw/zinc/06/34/66/1069063466.db2.gz PYZVNAXIUJMESI-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000041720755 1069073812 /nfs/dbraw/zinc/07/38/12/1069073812.db2.gz PDIBDCTVGHSLRO-UHFFFAOYSA-N 1 0 401.467 -0.005 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000041923218 1069076254 /nfs/dbraw/zinc/07/62/54/1069076254.db2.gz MTAKHMRBPCTEAF-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[N@H+](C)CCOC)ccc1C ZINC000041923736 1069077025 /nfs/dbraw/zinc/07/70/25/1069077025.db2.gz SQWHMRCGEQKNIP-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO O=C(C[NH+]1CCC(C(=O)N2CCOCC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000042355742 1069064187 /nfs/dbraw/zinc/06/41/87/1069064187.db2.gz XWHILEXKHWOSSD-UHFFFAOYSA-N 1 0 402.499 -0.304 20 0 HBADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000042595782 1069065004 /nfs/dbraw/zinc/06/50/04/1069065004.db2.gz HYGDJNBXJDWCHI-KRWDZBQOSA-N 1 0 402.499 -0.304 20 0 HBADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000042595786 1069064934 /nfs/dbraw/zinc/06/49/34/1069064934.db2.gz HYGDJNBXJDWCHI-QGZVFWFLSA-N 1 0 402.499 -0.304 20 0 HBADRO C[NH+](C)CCCNC(=S)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000042789651 1070374250 /nfs/dbraw/zinc/37/42/50/1070374250.db2.gz GZVRHMBIDAZALM-UHFFFAOYSA-N 1 0 414.601 -0.051 20 0 HBADRO C[NH+](C)CCNC(=S)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000042789654 1070373875 /nfs/dbraw/zinc/37/38/75/1070373875.db2.gz JXDDWMXFNYSTSW-UHFFFAOYSA-N 1 0 400.574 -0.441 20 0 HBADRO CC[NH+](CC)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000042845570 1069066609 /nfs/dbraw/zinc/06/66/09/1069066609.db2.gz ODWPQNUVXWOVKV-UHFFFAOYSA-N 1 0 401.489 -0.264 20 0 HBADRO CC(C)[NH+](CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C ZINC000043063037 1068223395 /nfs/dbraw/zinc/22/33/95/1068223395.db2.gz JUWLAMZFCJMFEP-UHFFFAOYSA-N 1 0 418.608 -0.075 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCC1 ZINC000043146697 1068283211 /nfs/dbraw/zinc/28/32/11/1068283211.db2.gz OJPOFQHQRXKPHN-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000043179140 1071250067 /nfs/dbraw/zinc/25/00/67/1071250067.db2.gz FJBGHFNAQUHEBS-UHFFFAOYSA-N 1 0 403.549 -0.237 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000043179149 1069068783 /nfs/dbraw/zinc/06/87/83/1069068783.db2.gz MDAXHCADKRDFRK-UHFFFAOYSA-N 1 0 416.592 -0.321 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000043180110 1069068814 /nfs/dbraw/zinc/06/88/14/1069068814.db2.gz WYDNGLMIEBWVRF-GASCZTMLSA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000043180111 1069068868 /nfs/dbraw/zinc/06/88/68/1069068868.db2.gz WYDNGLMIEBWVRF-GJZGRUSLSA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000043180112 1069068828 /nfs/dbraw/zinc/06/88/28/1069068828.db2.gz WYDNGLMIEBWVRF-HUUCEWRRSA-N 1 0 403.549 -0.238 20 0 HBADRO CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000043292513 1069068795 /nfs/dbraw/zinc/06/87/95/1069068795.db2.gz VFZTYLQRHWEKCZ-UHFFFAOYSA-N 1 0 413.500 -0.121 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000043820051 1068553168 /nfs/dbraw/zinc/55/31/68/1068553168.db2.gz CKCFEGNALNJZIW-QGZVFWFLSA-N 1 0 409.531 -0.181 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000043820054 1068552878 /nfs/dbraw/zinc/55/28/78/1068552878.db2.gz CKCFEGNALNJZIW-KRWDZBQOSA-N 1 0 409.531 -0.181 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000043822203 1070537728 /nfs/dbraw/zinc/53/77/28/1070537728.db2.gz GEZXPYRHLKQUEB-MRXNPFEDSA-N 1 0 402.459 -0.037 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000043822206 1070537314 /nfs/dbraw/zinc/53/73/14/1070537314.db2.gz GEZXPYRHLKQUEB-INIZCTEOSA-N 1 0 402.459 -0.037 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)c(=O)n2C ZINC000044088287 1069201752 /nfs/dbraw/zinc/20/17/52/1069201752.db2.gz OMXBWWORIBLAOD-HNNXBMFYSA-N 1 0 418.498 -0.605 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](C(=O)N3CCOCC3)C1)c(=O)n2C ZINC000044088289 1069202405 /nfs/dbraw/zinc/20/24/05/1069202405.db2.gz OMXBWWORIBLAOD-OAHLLOKOSA-N 1 0 418.498 -0.605 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000044138311 1070585276 /nfs/dbraw/zinc/58/52/76/1070585276.db2.gz HBXHUYSISMUTJR-GASCZTMLSA-N 1 0 407.606 -0.216 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000044138313 1070585462 /nfs/dbraw/zinc/58/54/62/1070585462.db2.gz HBXHUYSISMUTJR-GJZGRUSLSA-N 1 0 407.606 -0.216 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000044138315 1070586122 /nfs/dbraw/zinc/58/61/22/1070586122.db2.gz HBXHUYSISMUTJR-HUUCEWRRSA-N 1 0 407.606 -0.216 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000044138567 1070586077 /nfs/dbraw/zinc/58/60/77/1070586077.db2.gz RMTGMKLTAYTBRA-MRXNPFEDSA-N 1 0 418.633 -0.545 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000044138569 1070586140 /nfs/dbraw/zinc/58/61/40/1070586140.db2.gz RMTGMKLTAYTBRA-INIZCTEOSA-N 1 0 418.633 -0.545 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000044665600 1070713127 /nfs/dbraw/zinc/71/31/27/1070713127.db2.gz DBADLDUZXAYXCG-OAHLLOKOSA-N 1 0 405.590 -0.460 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000044665601 1070713871 /nfs/dbraw/zinc/71/38/71/1070713871.db2.gz DBADLDUZXAYXCG-HNNXBMFYSA-N 1 0 405.590 -0.460 20 0 HBADRO CCN1CCN(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C(=O)C1=O ZINC000045080126 1069392785 /nfs/dbraw/zinc/39/27/85/1069392785.db2.gz KZDGBBLIGBHDPE-UHFFFAOYSA-N 1 0 401.511 -0.389 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000045121548 1069210883 /nfs/dbraw/zinc/21/08/83/1069210883.db2.gz IRKVWYHWVOPWBD-UHFFFAOYSA-N 1 0 402.565 -0.708 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000045121739 1068245242 /nfs/dbraw/zinc/24/52/42/1068245242.db2.gz CXFATKQKLVPTCQ-UHFFFAOYSA-N 1 0 413.500 -0.120 20 0 HBADRO COc1ccc(N2CC[NH+](CCCNC(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 ZINC000045126636 1070747504 /nfs/dbraw/zinc/74/75/04/1070747504.db2.gz IHUGPKAJPUFOSD-UHFFFAOYSA-N 1 0 418.498 -0.184 20 0 HBADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000045295729 1069211182 /nfs/dbraw/zinc/21/11/82/1069211182.db2.gz BNGFVMJWHCARMZ-AWEZNQCLSA-N 1 0 407.515 -0.138 20 0 HBADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000045295731 1069211432 /nfs/dbraw/zinc/21/14/32/1069211432.db2.gz BNGFVMJWHCARMZ-CQSZACIVSA-N 1 0 407.515 -0.138 20 0 HBADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000045409891 1069212033 /nfs/dbraw/zinc/21/20/33/1069212033.db2.gz SWVSQGHZKJFLKZ-UHFFFAOYSA-N 1 0 401.533 -0.483 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000045409923 1069211999 /nfs/dbraw/zinc/21/19/99/1069211999.db2.gz RTSIZYFJBYCAGL-UHFFFAOYSA-N 1 0 414.576 -0.567 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000045463653 1069072797 /nfs/dbraw/zinc/07/27/97/1069072797.db2.gz HJIPKDOSPCIJQM-UHFFFAOYSA-N 1 0 409.531 -0.181 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCC1 ZINC000045551927 1068269548 /nfs/dbraw/zinc/26/95/48/1068269548.db2.gz YFZNMRMLPGNLCR-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000045588324 1069213338 /nfs/dbraw/zinc/21/33/38/1069213338.db2.gz CPYVJKPQORKNTE-UHFFFAOYSA-N 1 0 405.565 -0.195 20 0 HBADRO CS(=O)(=O)NCCNC(=O)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000045588668 1068373308 /nfs/dbraw/zinc/37/33/08/1068373308.db2.gz KDLYBRSIUUIZMK-UHFFFAOYSA-N 1 0 412.516 -0.922 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000045845758 1069075857 /nfs/dbraw/zinc/07/58/57/1069075857.db2.gz GNGVLEOHSSQMRJ-UHFFFAOYSA-N 1 0 403.531 -0.203 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)ccn2)CC1 ZINC000045846423 1069075938 /nfs/dbraw/zinc/07/59/38/1069075938.db2.gz GPZQBXMJFVPGGO-UHFFFAOYSA-N 1 0 415.542 -0.061 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1)N1CCOCC1 ZINC000046058396 1069218824 /nfs/dbraw/zinc/21/88/24/1069218824.db2.gz HSJHLQJAEULMFO-UHFFFAOYSA-N 1 0 407.559 -0.450 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NNC(=O)C(=O)NC3CC3)cc2)CC1 ZINC000046120682 1070886526 /nfs/dbraw/zinc/88/65/26/1070886526.db2.gz XRDIWKVIAYBAOU-UHFFFAOYSA-N 1 0 402.499 -0.067 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 ZINC000046121614 1070886060 /nfs/dbraw/zinc/88/60/60/1070886060.db2.gz CLSONTFJCHNRRJ-UHFFFAOYSA-N 1 0 402.499 -0.067 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338993 1068306990 /nfs/dbraw/zinc/30/69/90/1068306990.db2.gz YDSUTBDSQGTXSC-SJORKVTESA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338994 1068306871 /nfs/dbraw/zinc/30/68/71/1068306871.db2.gz YDSUTBDSQGTXSC-IRXDYDNUSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046367874 1069078979 /nfs/dbraw/zinc/07/89/79/1069078979.db2.gz ZYFQVBHNLNDNPB-SJORKVTESA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046367876 1069079013 /nfs/dbraw/zinc/07/90/13/1069079013.db2.gz ZYFQVBHNLNDNPB-IRXDYDNUSA-N 1 0 409.531 -0.181 20 0 HBADRO CC1CC[NH+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000046369229 1068308602 /nfs/dbraw/zinc/30/86/02/1068308602.db2.gz RJSMIXFWBAVYNQ-UHFFFAOYSA-N 1 0 403.549 -0.378 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000046380104 1069079001 /nfs/dbraw/zinc/07/90/01/1069079001.db2.gz BOQKOKHOVMQIDB-MRXNPFEDSA-N 1 0 403.549 -0.378 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000046380107 1069078958 /nfs/dbraw/zinc/07/89/58/1069078958.db2.gz BOQKOKHOVMQIDB-INIZCTEOSA-N 1 0 403.549 -0.378 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)NNC(=O)C(=O)NC2CC2)[C@H](c2ccccc2)C1 ZINC000046633646 1070935885 /nfs/dbraw/zinc/93/58/85/1070935885.db2.gz YAZAFVXMURQDAS-KRWDZBQOSA-N 1 0 402.499 -0.026 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000046750199 1069080679 /nfs/dbraw/zinc/08/06/79/1069080679.db2.gz OBJSXXMHQYSDMA-UHFFFAOYSA-N 1 0 419.548 -0.997 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000046753260 1069080649 /nfs/dbraw/zinc/08/06/49/1069080649.db2.gz CDRHREJRNPYOLM-UHFFFAOYSA-N 1 0 408.547 -0.464 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC000046753456 1069080708 /nfs/dbraw/zinc/08/07/08/1069080708.db2.gz AVBZBWRTUIYBSG-UHFFFAOYSA-N 1 0 410.563 -0.218 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000046753466 1069087494 /nfs/dbraw/zinc/08/74/94/1069087494.db2.gz LFCRKLGHUHOUNJ-UHFFFAOYSA-N 1 0 404.581 -0.462 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000046946772 1069082335 /nfs/dbraw/zinc/08/23/35/1069082335.db2.gz RWBKIXQPABZAQS-HNNXBMFYSA-N 1 0 413.544 -0.209 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000046946773 1069082450 /nfs/dbraw/zinc/08/24/50/1069082450.db2.gz RWBKIXQPABZAQS-OAHLLOKOSA-N 1 0 413.544 -0.209 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000047104345 1068357437 /nfs/dbraw/zinc/35/74/37/1068357437.db2.gz VBJHBGHGDNUUGC-HOTGVXAUSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000047104347 1068244702 /nfs/dbraw/zinc/24/47/02/1068244702.db2.gz VBJHBGHGDNUUGC-CVEARBPZSA-N 1 0 401.533 -0.483 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000047305381 1069186400 /nfs/dbraw/zinc/18/64/00/1069186400.db2.gz XUZVUIBAAHWTTG-UHFFFAOYSA-N 1 0 409.556 -0.002 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cnc2n(C)c1=O ZINC000047386802 1069187833 /nfs/dbraw/zinc/18/78/33/1069187833.db2.gz WTRFYDLUPKKVEM-UHFFFAOYSA-N 1 0 401.467 -0.183 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC000047670522 1068287777 /nfs/dbraw/zinc/28/77/77/1068287777.db2.gz MDDFAHMJLMTDBN-PHIMTYICSA-N 1 0 403.277 -0.085 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC000047670524 1068287638 /nfs/dbraw/zinc/28/76/38/1068287638.db2.gz MDDFAHMJLMTDBN-QWRGUYRKSA-N 1 0 403.277 -0.085 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H](C)O1 ZINC000047670526 1068287713 /nfs/dbraw/zinc/28/77/13/1068287713.db2.gz MDDFAHMJLMTDBN-GHMZBOCLSA-N 1 0 403.277 -0.085 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000047840374 1068390053 /nfs/dbraw/zinc/39/00/53/1068390053.db2.gz MLVHIOCQNNIZQY-UHFFFAOYSA-N 1 0 402.542 -0.254 20 0 HBADRO C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000047885812 1068396298 /nfs/dbraw/zinc/39/62/98/1068396298.db2.gz DHAJQPBDYSVHGZ-UHFFFAOYSA-N 1 0 410.544 -0.073 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000047961993 1068412983 /nfs/dbraw/zinc/41/29/83/1068412983.db2.gz DAEMOWDFZZZVLG-QGZVFWFLSA-N 1 0 404.467 -0.293 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000047961994 1068413017 /nfs/dbraw/zinc/41/30/17/1068413017.db2.gz DAEMOWDFZZZVLG-KRWDZBQOSA-N 1 0 404.467 -0.293 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000047962048 1068412869 /nfs/dbraw/zinc/41/28/69/1068412869.db2.gz SZAAJFXBUCSTHG-KRWDZBQOSA-N 1 0 403.483 -0.720 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000047962049 1068412731 /nfs/dbraw/zinc/41/27/31/1068412731.db2.gz SZAAJFXBUCSTHG-QGZVFWFLSA-N 1 0 403.483 -0.720 20 0 HBADRO CCC(CC)[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000048031314 1069221057 /nfs/dbraw/zinc/22/10/57/1069221057.db2.gz LMBAJQHIPKOLCF-MRXNPFEDSA-N 1 0 401.533 -0.048 20 0 HBADRO CCC(CC)[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000048031316 1069221125 /nfs/dbraw/zinc/22/11/25/1069221125.db2.gz LMBAJQHIPKOLCF-INIZCTEOSA-N 1 0 401.533 -0.048 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000048286410 1069378731 /nfs/dbraw/zinc/37/87/31/1069378731.db2.gz VAEGNVCIOLQHRE-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000048428573 1068488011 /nfs/dbraw/zinc/48/80/11/1068488011.db2.gz RJQLMHLJLCUYBI-UHFFFAOYSA-N 1 0 400.501 -0.170 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000048458239 1068495857 /nfs/dbraw/zinc/49/58/57/1068495857.db2.gz XFBDMKKOZKHRKZ-QLFBSQMISA-N 1 0 404.533 -0.522 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000048458247 1068495826 /nfs/dbraw/zinc/49/58/26/1068495826.db2.gz XFBDMKKOZKHRKZ-RBSFLKMASA-N 1 0 404.533 -0.522 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048481159 1069225264 /nfs/dbraw/zinc/22/52/64/1069225264.db2.gz HCTFONBZZWQKRL-UHFFFAOYSA-N 1 0 415.288 -0.130 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000048481528 1068521388 /nfs/dbraw/zinc/52/13/88/1068521388.db2.gz LFYDEAJGHALYKP-UHFFFAOYSA-N 1 0 418.498 -0.605 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048483370 1069225506 /nfs/dbraw/zinc/22/55/06/1069225506.db2.gz JQZKPVAETRRJFG-IAGOWNOFSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048483371 1069225234 /nfs/dbraw/zinc/22/52/34/1069225234.db2.gz JQZKPVAETRRJFG-DLBZAZTESA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048483372 1069225132 /nfs/dbraw/zinc/22/51/32/1069225132.db2.gz JQZKPVAETRRJFG-SJORKVTESA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048483373 1069225364 /nfs/dbraw/zinc/22/53/64/1069225364.db2.gz JQZKPVAETRRJFG-IRXDYDNUSA-N 1 0 413.540 -0.407 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000048616665 1069227183 /nfs/dbraw/zinc/22/71/83/1069227183.db2.gz WBEBAEQNYIAEGR-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000048773577 1069229139 /nfs/dbraw/zinc/22/91/39/1069229139.db2.gz UZHVSINTXJFSFX-UHFFFAOYSA-N 1 0 410.496 -0.144 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000048773578 1069228789 /nfs/dbraw/zinc/22/87/89/1069228789.db2.gz CHVFUZVYSPFQHX-UHFFFAOYSA-N 1 0 410.496 -0.144 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000048871106 1068739778 /nfs/dbraw/zinc/73/97/78/1068739778.db2.gz HZHGYOJEMRJRGY-UHFFFAOYSA-N 1 0 403.531 -0.157 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000049049425 1068790741 /nfs/dbraw/zinc/79/07/41/1068790741.db2.gz HEZOLYWLCPTGQJ-MRXNPFEDSA-N 1 0 419.482 -0.687 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000049049429 1068790936 /nfs/dbraw/zinc/79/09/36/1068790936.db2.gz HEZOLYWLCPTGQJ-INIZCTEOSA-N 1 0 419.482 -0.687 20 0 HBADRO CC(C)(CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000049786448 1069272955 /nfs/dbraw/zinc/27/29/55/1069272955.db2.gz YXPUZIZXCAPCSE-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO COC(=O)CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC(C)C ZINC000050032121 1069275388 /nfs/dbraw/zinc/27/53/88/1069275388.db2.gz GFJCDBLSNKQQMB-UHFFFAOYSA-N 1 0 412.531 -0.490 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000050150649 1068699935 /nfs/dbraw/zinc/69/99/35/1068699935.db2.gz FNLRTYMGYHAOOU-UHFFFAOYSA-N 1 0 402.499 -0.042 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050165195 1069277987 /nfs/dbraw/zinc/27/79/87/1069277987.db2.gz HAHFLMOGQAROGI-AWEZNQCLSA-N 1 0 402.499 -0.042 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050165197 1069277751 /nfs/dbraw/zinc/27/77/51/1069277751.db2.gz HAHFLMOGQAROGI-CQSZACIVSA-N 1 0 402.499 -0.042 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050165503 1069278120 /nfs/dbraw/zinc/27/81/20/1069278120.db2.gz XLEKEDAATXUFQX-UHFFFAOYSA-N 1 0 402.499 -0.041 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000050799440 1069286693 /nfs/dbraw/zinc/28/66/93/1069286693.db2.gz NJLUYFJDKFNFEL-UHFFFAOYSA-N 1 0 414.510 -0.079 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)CC1 ZINC000050802650 1069286641 /nfs/dbraw/zinc/28/66/41/1069286641.db2.gz ZEUQQAWBKXTYQX-UHFFFAOYSA-N 1 0 400.483 -0.090 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C3CCN(C)CC3)CC1)c(=O)n2C ZINC000050802842 1069286813 /nfs/dbraw/zinc/28/68/13/1069286813.db2.gz QIXIUJHTBTVVQS-UHFFFAOYSA-N 1 0 417.514 -0.892 20 0 HBADRO NC(=O)[C@@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCO1 ZINC000050925812 1068481355 /nfs/dbraw/zinc/48/13/55/1068481355.db2.gz PSBOBMMHFCNZQL-OXJNMPFZSA-N 1 0 401.467 -0.283 20 0 HBADRO NC(=O)[C@@H]1CN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCO1 ZINC000050925814 1068481181 /nfs/dbraw/zinc/48/11/81/1068481181.db2.gz PSBOBMMHFCNZQL-JXFKEZNVSA-N 1 0 401.467 -0.283 20 0 HBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000051122110 1069296772 /nfs/dbraw/zinc/29/67/72/1069296772.db2.gz VKHHPIQYGADEPK-CALCHBBNSA-N 1 0 417.576 -0.878 20 0 HBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000051122113 1069296835 /nfs/dbraw/zinc/29/68/35/1069296835.db2.gz VKHHPIQYGADEPK-IAGOWNOFSA-N 1 0 417.576 -0.878 20 0 HBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000051122117 1069296756 /nfs/dbraw/zinc/29/67/56/1069296756.db2.gz VKHHPIQYGADEPK-IRXDYDNUSA-N 1 0 417.576 -0.878 20 0 HBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000051202325 1068516076 /nfs/dbraw/zinc/51/60/76/1068516076.db2.gz GAWJJOJTCOZKDN-QGZVFWFLSA-N 1 0 410.515 -0.736 20 0 HBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000051202327 1068515812 /nfs/dbraw/zinc/51/58/12/1068515812.db2.gz GAWJJOJTCOZKDN-KRWDZBQOSA-N 1 0 410.515 -0.736 20 0 HBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000051202376 1068515873 /nfs/dbraw/zinc/51/58/73/1068515873.db2.gz JOPQPLVVLPDROF-MRXNPFEDSA-N 1 0 408.499 -0.445 20 0 HBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000051202378 1068515711 /nfs/dbraw/zinc/51/57/11/1068515711.db2.gz JOPQPLVVLPDROF-INIZCTEOSA-N 1 0 408.499 -0.445 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000051758797 1069253629 /nfs/dbraw/zinc/25/36/29/1069253629.db2.gz PGUHSWNQLFGNRR-UHFFFAOYSA-N 1 0 416.592 -0.321 20 0 HBADRO CC(C)CN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051760993 1069387660 /nfs/dbraw/zinc/38/76/60/1069387660.db2.gz LXXRIZIIUVAKAZ-MRXNPFEDSA-N 1 0 402.561 -0.636 20 0 HBADRO CC(C)CN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051760997 1069387469 /nfs/dbraw/zinc/38/74/69/1069387469.db2.gz LXXRIZIIUVAKAZ-INIZCTEOSA-N 1 0 402.561 -0.636 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000051761270 1069253836 /nfs/dbraw/zinc/25/38/36/1069253836.db2.gz MIACROLAIDFXML-QGZVFWFLSA-N 1 0 414.572 -0.350 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000051761273 1069254156 /nfs/dbraw/zinc/25/41/56/1069254156.db2.gz MIACROLAIDFXML-KRWDZBQOSA-N 1 0 414.572 -0.350 20 0 HBADRO CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761452 1069254441 /nfs/dbraw/zinc/25/44/41/1069254441.db2.gz BBLJUMNDAYQUDY-UHFFFAOYSA-N 1 0 409.556 -0.081 20 0 HBADRO CCCCN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051761702 1069254284 /nfs/dbraw/zinc/25/42/84/1069254284.db2.gz FZCGIUSSYAWWOA-MRXNPFEDSA-N 1 0 402.561 -0.492 20 0 HBADRO CCCCN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051761705 1069254251 /nfs/dbraw/zinc/25/42/51/1069254251.db2.gz FZCGIUSSYAWWOA-INIZCTEOSA-N 1 0 402.561 -0.492 20 0 HBADRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761962 1069189624 /nfs/dbraw/zinc/18/96/24/1069189624.db2.gz ATDCZKBBOHJHLC-GOSISDBHSA-N 1 0 402.495 -0.181 20 0 HBADRO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761964 1069189545 /nfs/dbraw/zinc/18/95/45/1069189545.db2.gz ATDCZKBBOHJHLC-SFHVURJKSA-N 1 0 402.495 -0.181 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1 ZINC000051762327 1069190281 /nfs/dbraw/zinc/19/02/81/1069190281.db2.gz AEBQIFOJHILJES-INIZCTEOSA-N 1 0 409.483 -0.073 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)CN2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1 ZINC000051762330 1068396899 /nfs/dbraw/zinc/39/68/99/1068396899.db2.gz AEBQIFOJHILJES-MRXNPFEDSA-N 1 0 409.483 -0.073 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000051762768 1069389189 /nfs/dbraw/zinc/38/91/89/1069389189.db2.gz DLRLPLKUIUNWCG-UHFFFAOYSA-N 1 0 417.554 -0.159 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762793 1069254415 /nfs/dbraw/zinc/25/44/15/1069254415.db2.gz MURCZGQBSVSWHG-INIZCTEOSA-N 1 0 405.499 -0.342 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762794 1069254391 /nfs/dbraw/zinc/25/43/91/1069254391.db2.gz MURCZGQBSVSWHG-MRXNPFEDSA-N 1 0 405.499 -0.342 20 0 HBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762994 1069254315 /nfs/dbraw/zinc/25/43/15/1069254315.db2.gz LUVPUVWATDXPSX-UHFFFAOYSA-N 1 0 405.499 -0.391 20 0 HBADRO CCCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051763352 1069254202 /nfs/dbraw/zinc/25/42/02/1069254202.db2.gz KHTFNOPZJUNTQW-HZPDHXFCSA-N 1 0 402.561 -0.494 20 0 HBADRO CCCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051763353 1069254366 /nfs/dbraw/zinc/25/43/66/1069254366.db2.gz KHTFNOPZJUNTQW-CVEARBPZSA-N 1 0 402.561 -0.494 20 0 HBADRO CCCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051763354 1069254469 /nfs/dbraw/zinc/25/44/69/1069254469.db2.gz KHTFNOPZJUNTQW-JKSUJKDBSA-N 1 0 402.561 -0.494 20 0 HBADRO CCCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051763355 1069254109 /nfs/dbraw/zinc/25/41/09/1069254109.db2.gz KHTFNOPZJUNTQW-HOTGVXAUSA-N 1 0 402.561 -0.494 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051890155 1069418681 /nfs/dbraw/zinc/41/86/81/1069418681.db2.gz ZPZFAYFKDDJXOP-KRWDZBQOSA-N 1 0 403.483 -0.525 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000051890157 1069418598 /nfs/dbraw/zinc/41/85/98/1069418598.db2.gz ZPZFAYFKDDJXOP-QGZVFWFLSA-N 1 0 403.483 -0.525 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000051890479 1069417461 /nfs/dbraw/zinc/41/74/61/1069417461.db2.gz CSZIVWCCIFLKHN-INIZCTEOSA-N 1 0 419.482 -0.591 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000051890482 1069417293 /nfs/dbraw/zinc/41/72/93/1069417293.db2.gz CSZIVWCCIFLKHN-MRXNPFEDSA-N 1 0 419.482 -0.591 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c(C)c2)CC1 ZINC000051891154 1069417508 /nfs/dbraw/zinc/41/75/08/1069417508.db2.gz WYRXKUVJJWWLCU-KRWDZBQOSA-N 1 0 403.483 -0.212 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c(C)c2)CC1 ZINC000051891156 1069417362 /nfs/dbraw/zinc/41/73/62/1069417362.db2.gz WYRXKUVJJWWLCU-QGZVFWFLSA-N 1 0 403.483 -0.212 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000051892078 1069420062 /nfs/dbraw/zinc/42/00/62/1069420062.db2.gz BMYPZZRNOMKIBB-INIZCTEOSA-N 1 0 406.508 -0.071 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000051892081 1069420098 /nfs/dbraw/zinc/42/00/98/1069420098.db2.gz BMYPZZRNOMKIBB-MRXNPFEDSA-N 1 0 406.508 -0.071 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCO1 ZINC000051892716 1069419323 /nfs/dbraw/zinc/41/93/23/1069419323.db2.gz VSPKOEGDJYPXCW-SFHVURJKSA-N 1 0 415.494 -0.130 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCO1 ZINC000051892718 1069419271 /nfs/dbraw/zinc/41/92/71/1069419271.db2.gz VSPKOEGDJYPXCW-GOSISDBHSA-N 1 0 415.494 -0.130 20 0 HBADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000051957042 1069191074 /nfs/dbraw/zinc/19/10/74/1069191074.db2.gz WJULNNVOQZEQPW-OAHLLOKOSA-N 1 0 402.517 -0.957 20 0 HBADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000051957045 1069191144 /nfs/dbraw/zinc/19/11/44/1069191144.db2.gz WJULNNVOQZEQPW-HNNXBMFYSA-N 1 0 402.517 -0.957 20 0 HBADRO COCCN(C(=O)CN1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051958775 1069383042 /nfs/dbraw/zinc/38/30/42/1069383042.db2.gz APRGGTOLBIORDC-GOSISDBHSA-N 1 0 417.572 -0.307 20 0 HBADRO COCCN(C(=O)CN1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051958777 1069382829 /nfs/dbraw/zinc/38/28/29/1069382829.db2.gz APRGGTOLBIORDC-SFHVURJKSA-N 1 0 417.572 -0.307 20 0 HBADRO C[N@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000052000483 1069426107 /nfs/dbraw/zinc/42/61/07/1069426107.db2.gz KXTXYFZVTMFRAB-UHFFFAOYSA-N 1 0 402.495 -0.310 20 0 HBADRO C[N@H+](CCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000052000524 1069425899 /nfs/dbraw/zinc/42/58/99/1069425899.db2.gz GWFRXEBMYGNGNW-UHFFFAOYSA-N 1 0 410.540 -0.118 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NCCS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000052152926 1068765186 /nfs/dbraw/zinc/76/51/86/1068765186.db2.gz ZXVDQWWRHKVHHT-UHFFFAOYSA-N 1 0 410.540 -0.174 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000052301300 1068780258 /nfs/dbraw/zinc/78/02/58/1068780258.db2.gz MRVJQMQTTDIHDL-UHFFFAOYSA-N 1 0 405.565 -0.635 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000052301363 1068780267 /nfs/dbraw/zinc/78/02/67/1068780267.db2.gz PWDVSFJDCDUPPA-UHFFFAOYSA-N 1 0 404.533 -0.598 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052302882 1068780238 /nfs/dbraw/zinc/78/02/38/1068780238.db2.gz CNEVZPTZEMFUPS-UHFFFAOYSA-N 1 0 418.560 -0.017 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000052441149 1069464154 /nfs/dbraw/zinc/46/41/54/1069464154.db2.gz YCMZCGMXAOLMMZ-UHFFFAOYSA-N 1 0 407.500 -0.728 20 0 HBADRO COC(=O)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000052443127 1068367519 /nfs/dbraw/zinc/36/75/19/1068367519.db2.gz SRYWFWJVIQVLOD-UHFFFAOYSA-N 1 0 410.515 -0.736 20 0 HBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN(S(N)(=O)=O)CC2)CC1 ZINC000052487971 1069469922 /nfs/dbraw/zinc/46/99/22/1069469922.db2.gz SMLPEDKOAUHESC-UHFFFAOYSA-N 1 0 409.556 -0.150 20 0 HBADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN(S(N)(=O)=O)CC2)CC1 ZINC000052487995 1069464817 /nfs/dbraw/zinc/46/48/17/1069464817.db2.gz JVBJKIHTWYULJR-UHFFFAOYSA-N 1 0 409.556 -0.103 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000052528482 1069470738 /nfs/dbraw/zinc/47/07/38/1069470738.db2.gz UPPZHUJNXXSUFK-INIZCTEOSA-N 1 0 410.544 -0.073 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000052528484 1069470639 /nfs/dbraw/zinc/47/06/39/1069470639.db2.gz UPPZHUJNXXSUFK-MRXNPFEDSA-N 1 0 410.544 -0.073 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(=NNC(=O)N[C@@H]3CCC[N@H+](C)C3)[nH]c2)CC1 ZINC000052590030 1069119798 /nfs/dbraw/zinc/11/97/98/1069119798.db2.gz DXBUILHCJSKZOT-CQSZACIVSA-N 1 0 411.532 -0.262 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(=NNC(=O)N[C@H]3CCC[N@H+](C)C3)[nH]c2)CC1 ZINC000052590033 1069119871 /nfs/dbraw/zinc/11/98/71/1069119871.db2.gz DXBUILHCJSKZOT-AWEZNQCLSA-N 1 0 411.532 -0.262 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000052590885 1069471292 /nfs/dbraw/zinc/47/12/92/1069471292.db2.gz PBVFBQWPKJTNNY-OWCLPIDISA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000052590889 1069471191 /nfs/dbraw/zinc/47/11/91/1069471191.db2.gz PBVFBQWPKJTNNY-BZUAXINKSA-N 1 0 403.549 -0.238 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000052604221 1069195271 /nfs/dbraw/zinc/19/52/71/1069195271.db2.gz MHZQSECZYILOMI-UHFFFAOYSA-N 1 0 418.541 -0.588 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693532 1069486355 /nfs/dbraw/zinc/48/63/55/1069486355.db2.gz OBTANJMSMUOFOB-IAGOWNOFSA-N 1 0 404.577 -0.279 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693535 1069486413 /nfs/dbraw/zinc/48/64/13/1069486413.db2.gz OBTANJMSMUOFOB-SJORKVTESA-N 1 0 404.577 -0.279 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000052695270 1068833960 /nfs/dbraw/zinc/83/39/60/1068833960.db2.gz PPBHFROPKCTZBT-HUUCEWRRSA-N 1 0 404.533 -0.063 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000052695273 1068833829 /nfs/dbraw/zinc/83/38/29/1068833829.db2.gz PPBHFROPKCTZBT-LSDHHAIUSA-N 1 0 404.533 -0.063 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000052695575 1069486567 /nfs/dbraw/zinc/48/65/67/1069486567.db2.gz WNERWYJWTLKTEY-INIZCTEOSA-N 1 0 410.544 -0.224 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000052695578 1069486545 /nfs/dbraw/zinc/48/65/45/1069486545.db2.gz WNERWYJWTLKTEY-MRXNPFEDSA-N 1 0 410.544 -0.224 20 0 HBADRO CC(=O)NCC1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000052849082 1069496000 /nfs/dbraw/zinc/49/60/00/1069496000.db2.gz QNEUVHUUUZQWMH-UHFFFAOYSA-N 1 0 414.514 -0.140 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000053030180 1070639562 /nfs/dbraw/zinc/63/95/62/1070639562.db2.gz ZRXZGZPTWOGRFC-UHFFFAOYSA-N 1 0 407.515 -0.366 20 0 HBADRO Cn1c(=O)ccn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1=O ZINC000053030423 1070640311 /nfs/dbraw/zinc/64/03/11/1070640311.db2.gz UYWRZIZUIVKETP-UHFFFAOYSA-N 1 0 405.499 -0.612 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000053095492 1070714774 /nfs/dbraw/zinc/71/47/74/1070714774.db2.gz FSGWOMKTGXIPMG-UHFFFAOYSA-N 1 0 407.559 -0.057 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccn2)CC1 ZINC000053484005 1069123021 /nfs/dbraw/zinc/12/30/21/1069123021.db2.gz MEYFOYHKVLPSAY-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccn2)CC1 ZINC000053484026 1069122650 /nfs/dbraw/zinc/12/26/50/1069122650.db2.gz WIBWVEHVCNWWQI-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000053563839 1071676357 /nfs/dbraw/zinc/67/63/57/1071676357.db2.gz JZSAGVKNPVCPCJ-UHFFFAOYSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)c2c(=O)n(C)c1=O ZINC000053744301 1071706811 /nfs/dbraw/zinc/70/68/11/1071706811.db2.gz DMIGVIZAKHJFQZ-UHFFFAOYSA-N 1 0 412.454 -0.781 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](Cc3ccccn3)CC1)c(=O)n2C ZINC000053990101 1069239597 /nfs/dbraw/zinc/23/95/97/1069239597.db2.gz QJHRVBWPCAUDDO-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2c(=O)n(C)c1=O ZINC000053990291 1069239644 /nfs/dbraw/zinc/23/96/44/1069239644.db2.gz WFOCSYOQPOTUMI-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c(=O)n2C ZINC000053992052 1069243536 /nfs/dbraw/zinc/24/35/36/1069243536.db2.gz ZHRSYRNEVBGSFA-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccc(OCC[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000053992213 1069243530 /nfs/dbraw/zinc/24/35/30/1069243530.db2.gz LLJFESMUZFQWOZ-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000054182236 1070681559 /nfs/dbraw/zinc/68/15/59/1070681559.db2.gz ZWGGBADWNIORHM-KRWDZBQOSA-N 1 0 416.526 -0.036 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000054182238 1070681614 /nfs/dbraw/zinc/68/16/14/1070681614.db2.gz ZWGGBADWNIORHM-QGZVFWFLSA-N 1 0 416.526 -0.036 20 0 HBADRO COCCC[N@H+](CCOC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000054365559 1071732686 /nfs/dbraw/zinc/73/26/86/1071732686.db2.gz NZPOKROTUGBBIC-UHFFFAOYSA-N 1 0 405.503 -0.003 20 0 HBADRO COC(=O)[C@@H](F)C(NCCC[NH+]1CCN(C)CC1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000054505678 1069308611 /nfs/dbraw/zinc/30/86/11/1069308611.db2.gz LZMDFGIMZNRRAR-ZDUSSCGKSA-N 1 0 413.450 -0.971 20 0 HBADRO COC(=O)[C@H](F)C(NCCC[NH+]1CCN(C)CC1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000054505679 1069308434 /nfs/dbraw/zinc/30/84/34/1069308434.db2.gz LZMDFGIMZNRRAR-CYBMUJFWSA-N 1 0 413.450 -0.971 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000054511813 1071733229 /nfs/dbraw/zinc/73/32/29/1071733229.db2.gz AIZXCCYNXNPCLP-MRXNPFEDSA-N 1 0 403.549 -0.378 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000054511814 1071733147 /nfs/dbraw/zinc/73/31/47/1071733147.db2.gz AIZXCCYNXNPCLP-INIZCTEOSA-N 1 0 403.549 -0.378 20 0 HBADRO C[N@H+](CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000054763136 1069363126 /nfs/dbraw/zinc/36/31/26/1069363126.db2.gz JLLBTGVXJLTAIQ-UHFFFAOYSA-N 1 0 417.510 -0.169 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000054887390 1071734713 /nfs/dbraw/zinc/73/47/13/1071734713.db2.gz IOAGSPHEDPCDRU-AWEZNQCLSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000054887391 1071734644 /nfs/dbraw/zinc/73/46/44/1071734644.db2.gz IOAGSPHEDPCDRU-CQSZACIVSA-N 1 0 404.471 -0.996 20 0 HBADRO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054984472 1071734674 /nfs/dbraw/zinc/73/46/74/1071734674.db2.gz UAUJMAUEIOFJJM-KRWDZBQOSA-N 1 0 418.494 -0.262 20 0 HBADRO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054984473 1071735101 /nfs/dbraw/zinc/73/51/01/1071735101.db2.gz UAUJMAUEIOFJJM-QGZVFWFLSA-N 1 0 418.494 -0.262 20 0 HBADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000055239574 1069144739 /nfs/dbraw/zinc/14/47/39/1069144739.db2.gz SEVUMBRWTUUHLO-UHFFFAOYSA-N 1 0 403.526 -0.125 20 0 HBADRO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000055239609 1071736642 /nfs/dbraw/zinc/73/66/42/1071736642.db2.gz JMRUGHHXVWUARG-UHFFFAOYSA-N 1 0 412.512 -0.274 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000055672700 1071740038 /nfs/dbraw/zinc/74/00/38/1071740038.db2.gz SOEJMNCPSCTWCP-UHFFFAOYSA-N 1 0 406.508 -0.025 20 0 HBADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000055673047 1071740004 /nfs/dbraw/zinc/74/00/04/1071740004.db2.gz ORQCODDBNLAHRY-UHFFFAOYSA-N 1 0 406.508 -0.025 20 0 HBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000056067817 1071741367 /nfs/dbraw/zinc/74/13/67/1071741367.db2.gz BMIPJAWEZZBUTH-UHFFFAOYSA-N 1 0 403.526 -0.207 20 0 HBADRO COCCCNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000056511818 1069085313 /nfs/dbraw/zinc/08/53/13/1069085313.db2.gz VCYWZXRKJGJETL-UHFFFAOYSA-N 1 0 411.547 -0.917 20 0 HBADRO C[NH+](C)CCC1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000056525010 1069160499 /nfs/dbraw/zinc/16/04/99/1069160499.db2.gz WOMILPMHHLNNMA-GOSISDBHSA-N 1 0 400.589 -0.019 20 0 HBADRO C[NH+](C)CCC1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000056525014 1069160523 /nfs/dbraw/zinc/16/05/23/1069160523.db2.gz WOMILPMHHLNNMA-SFHVURJKSA-N 1 0 400.589 -0.019 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000056786388 1069086223 /nfs/dbraw/zinc/08/62/23/1069086223.db2.gz VHRVDTNTQKHEOZ-IAGOWNOFSA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000056786389 1069086117 /nfs/dbraw/zinc/08/61/17/1069086117.db2.gz VHRVDTNTQKHEOZ-DLBZAZTESA-N 1 0 409.531 -0.181 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000056792839 1069165419 /nfs/dbraw/zinc/16/54/19/1069165419.db2.gz JYTICAXNPVXZCD-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3cccc(OCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000056890849 1069166574 /nfs/dbraw/zinc/16/65/74/1069166574.db2.gz PXHYHYQZMMTMJC-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000057089474 1070793455 /nfs/dbraw/zinc/79/34/55/1070793455.db2.gz RTNXHFFHGRAKOM-UHFFFAOYSA-N 1 0 407.489 -0.376 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000057164043 1070798452 /nfs/dbraw/zinc/79/84/52/1070798452.db2.gz GIUNMFWZWNKTPM-INIZCTEOSA-N 1 0 403.549 -0.235 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000057164044 1070798491 /nfs/dbraw/zinc/79/84/91/1070798491.db2.gz GIUNMFWZWNKTPM-MRXNPFEDSA-N 1 0 403.549 -0.235 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+](Cc4ccncc4)CC3)c2c(=O)n(C)c1=O ZINC000057166945 1069088918 /nfs/dbraw/zinc/08/89/18/1069088918.db2.gz RETFHYWFHPXUML-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000057563194 1068673422 /nfs/dbraw/zinc/67/34/22/1068673422.db2.gz DUBCIVCQWIXFMD-UHFFFAOYSA-N 1 0 424.523 -0.351 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cn2)CC1 ZINC000057676898 1070828538 /nfs/dbraw/zinc/82/85/38/1070828538.db2.gz AJRYPWLBQCDCLV-SOFGYWHQSA-N 1 0 412.494 -0.050 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cn2)CC1 ZINC000057677287 1068708830 /nfs/dbraw/zinc/70/88/30/1068708830.db2.gz WHQAEMMIQKHSKW-UHFFFAOYSA-N 1 0 410.482 -0.017 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C(=O)C1=O ZINC000057679082 1069433774 /nfs/dbraw/zinc/43/37/74/1069433774.db2.gz WGEOTBQHGUZBRS-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000058223237 1069418382 /nfs/dbraw/zinc/41/83/82/1069418382.db2.gz AQGFUBKROMKVDM-UHFFFAOYSA-N 1 0 424.571 -0.078 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000058223768 1069418293 /nfs/dbraw/zinc/41/82/93/1069418293.db2.gz PPDGDLMBLYXEKK-UHFFFAOYSA-N 1 0 424.571 -0.078 20 0 HBADRO COc1ccc(N2CC[NH+](CCCNC(=O)CNC(=O)CNC(C)=O)CC2)cc1 ZINC000058857562 1070915638 /nfs/dbraw/zinc/91/56/38/1070915638.db2.gz DWHZCIBABXTKIR-UHFFFAOYSA-N 1 0 405.499 -0.424 20 0 HBADRO CCN1CCN(CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C(=O)C1=O ZINC000059003219 1069093720 /nfs/dbraw/zinc/09/37/20/1069093720.db2.gz NZWNKSSMRMEPCM-UHFFFAOYSA-N 1 0 403.439 -0.215 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348578 1069094481 /nfs/dbraw/zinc/09/44/81/1069094481.db2.gz KZHYWCIQWFIKHF-CQSZACIVSA-N 1 0 401.533 -0.879 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348579 1069094722 /nfs/dbraw/zinc/09/47/22/1069094722.db2.gz KZHYWCIQWFIKHF-AWEZNQCLSA-N 1 0 401.533 -0.879 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCCN3CCOCC3)ccc2oc1=O ZINC000060603881 1069095998 /nfs/dbraw/zinc/09/59/98/1069095998.db2.gz GBAPOOBDHIXOPQ-UHFFFAOYSA-N 1 0 419.482 -0.067 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCOCC3)ccc2oc1=O ZINC000060604022 1069095894 /nfs/dbraw/zinc/09/58/94/1069095894.db2.gz QSYIFFWOVCYABK-UHFFFAOYSA-N 1 0 405.455 -0.457 20 0 HBADRO CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060605041 1069095876 /nfs/dbraw/zinc/09/58/76/1069095876.db2.gz BRIUMUCDAXLGDH-UHFFFAOYSA-N 1 0 405.455 -0.017 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060608288 1069095848 /nfs/dbraw/zinc/09/58/48/1069095848.db2.gz NQFAJJZMICLCGZ-CQSZACIVSA-N 1 0 419.482 -0.069 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000060620151 1069096124 /nfs/dbraw/zinc/09/61/24/1069096124.db2.gz ONFDRLPDCLPEGS-UHFFFAOYSA-N 1 0 403.439 -0.215 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cnc2n(C)c1=O ZINC000060689714 1069095929 /nfs/dbraw/zinc/09/59/29/1069095929.db2.gz BJQXFNNNJQVTRP-UHFFFAOYSA-N 1 0 416.482 -0.097 20 0 HBADRO CC(C)C(=O)NC1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000061023679 1069190335 /nfs/dbraw/zinc/19/03/35/1069190335.db2.gz IKWYIOZZUZJAMZ-UHFFFAOYSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000061050193 1069192571 /nfs/dbraw/zinc/19/25/71/1069192571.db2.gz JQZDRIKIMNKMHQ-UHFFFAOYSA-N 1 0 407.559 -0.057 20 0 HBADRO O=C(CCN1C(=O)CCC1=O)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000061477456 1071019341 /nfs/dbraw/zinc/01/93/41/1071019341.db2.gz IPHCJOHOAPWFEM-UHFFFAOYSA-N 1 0 401.467 -0.115 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cn1 ZINC000061635326 1068881105 /nfs/dbraw/zinc/88/11/05/1068881105.db2.gz PDXOXSOUEYGAEQ-UHFFFAOYSA-N 1 0 420.495 -0.183 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000061649509 1071031182 /nfs/dbraw/zinc/03/11/82/1071031182.db2.gz SISYMLPLLCXEFY-JKSUJKDBSA-N 1 0 422.507 -0.600 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)N1CC[NH+](C)CC1 ZINC000062022272 1069665573 /nfs/dbraw/zinc/66/55/73/1069665573.db2.gz VOYPEKVJLAATBU-KRWDZBQOSA-N 1 0 400.487 -0.011 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000062504830 1069098766 /nfs/dbraw/zinc/09/87/66/1069098766.db2.gz MAIOIVAZWRJBBM-LBPRGKRZSA-N 1 0 401.489 -0.265 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)NN=c1ccc(S(=O)(=O)N2CCN(C)CC2)c[nH]1 ZINC000062507470 1071103494 /nfs/dbraw/zinc/10/34/94/1071103494.db2.gz PXBBCAXOUOYDCX-CQSZACIVSA-N 1 0 413.548 -0.016 20 0 HBADRO Cn1c2[nH]c(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)nc2c(=O)[nH]c1=O ZINC000063809206 1069100267 /nfs/dbraw/zinc/10/02/67/1069100267.db2.gz FURHJGQMHCNNRF-UHFFFAOYSA-N 1 0 412.454 -0.332 20 0 HBADRO CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064269416 1069101800 /nfs/dbraw/zinc/10/18/00/1069101800.db2.gz UNSMJKXYERIQJQ-UHFFFAOYSA-N 1 0 400.526 -0.161 20 0 HBADRO CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000064269417 1069101656 /nfs/dbraw/zinc/10/16/56/1069101656.db2.gz DURXURINMMTSBL-UHFFFAOYSA-N 1 0 414.553 -0.118 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)c2)CC1 ZINC000064296633 1069101734 /nfs/dbraw/zinc/10/17/34/1069101734.db2.gz WYXBIWPLNBXNAE-UHFFFAOYSA-N 1 0 423.539 -0.476 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000064334934 1072060563 /nfs/dbraw/zinc/06/05/63/1072060563.db2.gz SOJIUMDSQROVPF-JKSUJKDBSA-N 1 0 422.507 -0.600 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000064345226 1069102522 /nfs/dbraw/zinc/10/25/22/1069102522.db2.gz SUTZWZMWDKXMJC-UHFFFAOYSA-N 1 0 400.501 -0.793 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(CC[NH+]3CCOCC3)CC1)c(=O)n2C ZINC000064346697 1069102378 /nfs/dbraw/zinc/10/23/78/1069102378.db2.gz SMZYLPITMDLYSH-UHFFFAOYSA-N 1 0 418.498 -0.605 20 0 HBADRO Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2n(C)c1=O ZINC000065264827 1069105114 /nfs/dbraw/zinc/10/51/14/1069105114.db2.gz CHQWPUIHSCPDCM-UHFFFAOYSA-N 1 0 423.539 -0.045 20 0 HBADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000065440735 1068364647 /nfs/dbraw/zinc/36/46/47/1068364647.db2.gz GVGZDMGYVLJIQT-MRXNPFEDSA-N 1 0 403.549 -0.379 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000065477445 1069106053 /nfs/dbraw/zinc/10/60/53/1069106053.db2.gz VCOODPUREKCRLL-KRWDZBQOSA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000065601644 1069106113 /nfs/dbraw/zinc/10/61/13/1069106113.db2.gz BXLUDDJURRQKGO-ZDUSSCGKSA-N 1 0 416.482 -0.193 20 0 HBADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000065699686 1069105867 /nfs/dbraw/zinc/10/58/67/1069105867.db2.gz IDGIUKNPTMLXKW-UHFFFAOYSA-N 1 0 405.499 -0.245 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000065708968 1069273070 /nfs/dbraw/zinc/27/30/70/1069273070.db2.gz DUMHMVGXRWQALY-SFHVURJKSA-N 1 0 417.510 -0.103 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000065974603 1069245523 /nfs/dbraw/zinc/24/55/23/1069245523.db2.gz CEOHXXWATFEXPL-UHFFFAOYSA-N 1 0 407.500 -0.259 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1C(N)=O ZINC000065974628 1069107667 /nfs/dbraw/zinc/10/76/67/1069107667.db2.gz HXAVANIVGXOSLJ-UHFFFAOYSA-N 1 0 412.512 -0.127 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2C1=O ZINC000065974653 1069107548 /nfs/dbraw/zinc/10/75/48/1069107548.db2.gz XHLVQGPRLJCKER-UHFFFAOYSA-N 1 0 422.507 -0.009 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000065974654 1069107527 /nfs/dbraw/zinc/10/75/27/1069107527.db2.gz BJPQKKTUUOTNDP-UHFFFAOYSA-N 1 0 423.495 -0.705 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000065974706 1068949704 /nfs/dbraw/zinc/94/97/04/1068949704.db2.gz MSHCZEHXIDRQBF-UHFFFAOYSA-N 1 0 419.548 -0.605 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000065974717 1069107674 /nfs/dbraw/zinc/10/76/74/1069107674.db2.gz JEMTVOQKMXVJRQ-MRXNPFEDSA-N 1 0 418.560 -0.104 20 0 HBADRO C[NH+]1CCC(NC(=S)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000066008473 1068952674 /nfs/dbraw/zinc/95/26/74/1068952674.db2.gz WYPDFEKMORCBBL-AWEZNQCLSA-N 1 0 424.614 -0.910 20 0 HBADRO Cn1c2ncn(CC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2c(=O)n(C)c1=O ZINC000070928806 1069111253 /nfs/dbraw/zinc/11/12/53/1069111253.db2.gz FJTJJSDOYVFZDP-UHFFFAOYSA-N 1 0 411.466 -0.139 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H](C)O1 ZINC000106056600 1070846077 /nfs/dbraw/zinc/84/60/77/1070846077.db2.gz ZBXPPALPWVEQJS-QLFBSQMISA-N 1 0 414.528 -0.233 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H](C)O1 ZINC000106056603 1070845894 /nfs/dbraw/zinc/84/58/94/1070845894.db2.gz ZBXPPALPWVEQJS-RBSFLKMASA-N 1 0 414.528 -0.233 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000108027875 1069399273 /nfs/dbraw/zinc/39/92/73/1069399273.db2.gz RBJXOIGIYMLXEE-UHFFFAOYSA-N 1 0 424.523 -0.351 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(C[NH+]3CCOCC3)CC1)c(=O)n2C ZINC000108156149 1069167789 /nfs/dbraw/zinc/16/77/89/1069167789.db2.gz XNQAVGHFTPOLMR-UHFFFAOYSA-N 1 0 404.471 -0.996 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(CC(=O)N(C)C)nn3)cn2)CC1 ZINC000108922292 1068208529 /nfs/dbraw/zinc/20/85/29/1068208529.db2.gz WDPLDIKFIVSVNE-UHFFFAOYSA-N 1 0 400.487 -0.167 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)nc2n(C)c1=O ZINC000109252875 1068263764 /nfs/dbraw/zinc/26/37/64/1068263764.db2.gz FVLCODZBOONTIO-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000109444949 1068444820 /nfs/dbraw/zinc/44/48/20/1068444820.db2.gz DDMWFZJWYKSIOP-HZPDHXFCSA-N 1 0 421.585 -0.088 20 0 HBADRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000109444952 1068445065 /nfs/dbraw/zinc/44/50/65/1068445065.db2.gz DDMWFZJWYKSIOP-CVEARBPZSA-N 1 0 421.585 -0.088 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471094 1068284027 /nfs/dbraw/zinc/28/40/27/1068284027.db2.gz LSXDOUSGWWXWMM-QGZVFWFLSA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471097 1068284191 /nfs/dbraw/zinc/28/41/91/1068284191.db2.gz LSXDOUSGWWXWMM-KRWDZBQOSA-N 1 0 404.577 -0.185 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1 ZINC000109538680 1069218702 /nfs/dbraw/zinc/21/87/02/1069218702.db2.gz FRVJJYGDVURDIL-UHFFFAOYSA-N 1 0 420.495 -0.183 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)nc2c(=O)[nH]c1=O ZINC000110156178 1069370835 /nfs/dbraw/zinc/37/08/35/1069370835.db2.gz QCLRHVUOZBIYJB-UHFFFAOYSA-N 1 0 422.486 -0.386 20 0 HBADRO Cn1c(=O)ccn(CC(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1=O ZINC000110158058 1069370796 /nfs/dbraw/zinc/37/07/96/1069370796.db2.gz MKGLZYRKBCXSAA-UHFFFAOYSA-N 1 0 413.478 -0.075 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000110177276 1071813478 /nfs/dbraw/zinc/81/34/78/1071813478.db2.gz KDSJDXDWMVCNPI-CYBMUJFWSA-N 1 0 415.516 -0.324 20 0 HBADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000110177279 1071813233 /nfs/dbraw/zinc/81/32/33/1071813233.db2.gz KDSJDXDWMVCNPI-ZDUSSCGKSA-N 1 0 415.516 -0.324 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000110183814 1069192992 /nfs/dbraw/zinc/19/29/92/1069192992.db2.gz AJPPWEPHFOUFOP-CYBMUJFWSA-N 1 0 404.514 -0.324 20 0 HBADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000110183818 1069193115 /nfs/dbraw/zinc/19/31/15/1069193115.db2.gz AJPPWEPHFOUFOP-ZDUSSCGKSA-N 1 0 404.514 -0.324 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000110430296 1071813848 /nfs/dbraw/zinc/81/38/48/1071813848.db2.gz RMGXMWFNRIMARM-OAHLLOKOSA-N 1 0 417.532 -0.581 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000110430299 1071814132 /nfs/dbraw/zinc/81/41/32/1071814132.db2.gz RMGXMWFNRIMARM-HNNXBMFYSA-N 1 0 417.532 -0.581 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 ZINC000110438750 1069381091 /nfs/dbraw/zinc/38/10/91/1069381091.db2.gz OZWLKBILZBYTLW-AWEZNQCLSA-N 1 0 401.467 -0.217 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 ZINC000110438753 1069380880 /nfs/dbraw/zinc/38/08/80/1069380880.db2.gz OZWLKBILZBYTLW-CQSZACIVSA-N 1 0 401.467 -0.217 20 0 HBADRO CN(CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000110442154 1071814751 /nfs/dbraw/zinc/81/47/51/1071814751.db2.gz BLXBPQIJMKGYIG-AWEZNQCLSA-N 1 0 421.523 -0.229 20 0 HBADRO CN(CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000110442157 1071814712 /nfs/dbraw/zinc/81/47/12/1071814712.db2.gz BLXBPQIJMKGYIG-CQSZACIVSA-N 1 0 421.523 -0.229 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000110543312 1069194740 /nfs/dbraw/zinc/19/47/40/1069194740.db2.gz ATZWLGILVNASQW-LBPRGKRZSA-N 1 0 404.514 -0.800 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000110543317 1069194518 /nfs/dbraw/zinc/19/45/18/1069194518.db2.gz ATZWLGILVNASQW-GFCCVEGCSA-N 1 0 404.514 -0.800 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000110543321 1069194581 /nfs/dbraw/zinc/19/45/81/1069194581.db2.gz IBSQQENTMVSORX-ZDUSSCGKSA-N 1 0 403.526 -0.044 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000110543325 1069194486 /nfs/dbraw/zinc/19/44/86/1069194486.db2.gz IBSQQENTMVSORX-CYBMUJFWSA-N 1 0 403.526 -0.044 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000110543427 1071814585 /nfs/dbraw/zinc/81/45/85/1071814585.db2.gz DAUFANWEUQSVPC-AWEZNQCLSA-N 1 0 421.523 -0.181 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000110543430 1071814612 /nfs/dbraw/zinc/81/46/12/1071814612.db2.gz DAUFANWEUQSVPC-CQSZACIVSA-N 1 0 421.523 -0.181 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000110550306 1071814771 /nfs/dbraw/zinc/81/47/71/1071814771.db2.gz FJOVQBYWDDPIHO-AWEZNQCLSA-N 1 0 405.521 -0.818 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000110550311 1071814690 /nfs/dbraw/zinc/81/46/90/1071814690.db2.gz FJOVQBYWDDPIHO-CQSZACIVSA-N 1 0 405.521 -0.818 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000110625548 1070381430 /nfs/dbraw/zinc/38/14/30/1070381430.db2.gz DEYIVDZAJHEBEY-OAHLLOKOSA-N 1 0 414.514 -0.011 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000110625553 1070381817 /nfs/dbraw/zinc/38/18/17/1070381817.db2.gz DEYIVDZAJHEBEY-HNNXBMFYSA-N 1 0 414.514 -0.011 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000110693183 1069195869 /nfs/dbraw/zinc/19/58/69/1069195869.db2.gz FRYPJFKYLBAYGR-SFHVURJKSA-N 1 0 401.511 -0.218 20 0 HBADRO CCN1CCN(CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000110693185 1069196065 /nfs/dbraw/zinc/19/60/65/1069196065.db2.gz FRYPJFKYLBAYGR-GOSISDBHSA-N 1 0 401.511 -0.218 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000110732515 1069401953 /nfs/dbraw/zinc/40/19/53/1069401953.db2.gz IDTOBUFUJKNLEX-HNNXBMFYSA-N 1 0 414.514 -0.188 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000110732517 1069402711 /nfs/dbraw/zinc/40/27/11/1069402711.db2.gz IDTOBUFUJKNLEX-OAHLLOKOSA-N 1 0 414.514 -0.188 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)=NN1c1ccc(F)cc1 ZINC000110829315 1071816694 /nfs/dbraw/zinc/81/66/94/1071816694.db2.gz SYOKCPZRUYGEKC-GUYCJALGSA-N 1 0 418.473 -0.051 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)=NN1c1ccc(F)cc1 ZINC000110829318 1071816783 /nfs/dbraw/zinc/81/67/83/1071816783.db2.gz SYOKCPZRUYGEKC-SUMWQHHRSA-N 1 0 418.473 -0.051 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)=NN1c1ccccc1 ZINC000110829323 1071816678 /nfs/dbraw/zinc/81/66/78/1071816678.db2.gz RIDPFDOTDOCUGZ-YOEHRIQHSA-N 1 0 400.483 -0.190 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)=NN1c1ccccc1 ZINC000110829325 1071816466 /nfs/dbraw/zinc/81/64/66/1071816466.db2.gz RIDPFDOTDOCUGZ-WMLDXEAASA-N 1 0 400.483 -0.190 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2C1=O ZINC000110848506 1069199947 /nfs/dbraw/zinc/19/99/47/1069199947.db2.gz TZVNUNCADFWRCK-LBPRGKRZSA-N 1 0 408.480 -0.222 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2C1=O ZINC000110848508 1069199993 /nfs/dbraw/zinc/19/99/93/1069199993.db2.gz TZVNUNCADFWRCK-GFCCVEGCSA-N 1 0 408.480 -0.222 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000110848512 1069199900 /nfs/dbraw/zinc/19/99/00/1069199900.db2.gz IMDVIFSXCDZZKY-NSHDSACASA-N 1 0 409.468 -0.918 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000110848514 1069200040 /nfs/dbraw/zinc/20/00/40/1069200040.db2.gz IMDVIFSXCDZZKY-LLVKDONJSA-N 1 0 409.468 -0.918 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000110849751 1069200192 /nfs/dbraw/zinc/20/01/92/1069200192.db2.gz WESPILCLURBHDI-LBPRGKRZSA-N 1 0 404.514 -0.800 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000110849755 1069200063 /nfs/dbraw/zinc/20/00/63/1069200063.db2.gz WESPILCLURBHDI-GFCCVEGCSA-N 1 0 404.514 -0.800 20 0 HBADRO Cn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2n(C)c1=O ZINC000110852503 1069200011 /nfs/dbraw/zinc/20/00/11/1069200011.db2.gz MVVUVZFMHAXZLE-ZDUSSCGKSA-N 1 0 409.512 -0.257 20 0 HBADRO Cn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2n(C)c1=O ZINC000110852506 1069200089 /nfs/dbraw/zinc/20/00/89/1069200089.db2.gz MVVUVZFMHAXZLE-CYBMUJFWSA-N 1 0 409.512 -0.257 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000110992343 1069112131 /nfs/dbraw/zinc/11/21/31/1069112131.db2.gz VBZYWCCJDRZLBY-UHFFFAOYSA-N 1 0 404.563 -0.075 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000111089122 1071819977 /nfs/dbraw/zinc/81/99/77/1071819977.db2.gz BDMGFIQEYRXWDE-OAHLLOKOSA-N 1 0 419.548 -0.462 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000111089128 1071820671 /nfs/dbraw/zinc/82/06/71/1071820671.db2.gz BDMGFIQEYRXWDE-HNNXBMFYSA-N 1 0 419.548 -0.462 20 0 HBADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000116171052 1071853114 /nfs/dbraw/zinc/85/31/14/1071853114.db2.gz SFJLPJUJHVUFEZ-CQSZACIVSA-N 1 0 411.503 -0.702 20 0 HBADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000116171055 1071853023 /nfs/dbraw/zinc/85/30/23/1071853023.db2.gz SFJLPJUJHVUFEZ-AWEZNQCLSA-N 1 0 411.503 -0.702 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000116395612 1070316776 /nfs/dbraw/zinc/31/67/76/1070316776.db2.gz YCESOPRNBILDGE-GOSISDBHSA-N 1 0 409.556 -0.013 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000116395615 1070316691 /nfs/dbraw/zinc/31/66/91/1070316691.db2.gz YCESOPRNBILDGE-SFHVURJKSA-N 1 0 409.556 -0.013 20 0 HBADRO O=C(CN1CC[NH+](CCc2cccs2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000138447314 1068868162 /nfs/dbraw/zinc/86/81/62/1068868162.db2.gz BOKGDQZIAZFZNS-CQSZACIVSA-N 1 0 414.553 -0.079 20 0 HBADRO O=C(CN1CC[NH+](CCc2cccs2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000138447436 1068867898 /nfs/dbraw/zinc/86/78/98/1068867898.db2.gz BOKGDQZIAZFZNS-AWEZNQCLSA-N 1 0 414.553 -0.079 20 0 HBADRO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000138554847 1069623103 /nfs/dbraw/zinc/62/31/03/1069623103.db2.gz ICBLRCPROPKZEU-SFHVURJKSA-N 1 0 403.479 -0.067 20 0 HBADRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000138554965 1069622997 /nfs/dbraw/zinc/62/29/97/1069622997.db2.gz ICBLRCPROPKZEU-GOSISDBHSA-N 1 0 403.479 -0.067 20 0 HBADRO O=C(CN1CCC(C(=O)NCCO)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000138579800 1069966576 /nfs/dbraw/zinc/96/65/76/1069966576.db2.gz MRVYKWDGFSCFCW-UHFFFAOYSA-N 1 0 410.559 -0.042 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000138589696 1070112776 /nfs/dbraw/zinc/11/27/76/1070112776.db2.gz KZYBUQPSPHKFGU-HNNXBMFYSA-N 1 0 406.483 -0.227 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000138589801 1070113434 /nfs/dbraw/zinc/11/34/34/1070113434.db2.gz KZYBUQPSPHKFGU-OAHLLOKOSA-N 1 0 406.483 -0.227 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCC(C[NH+]4CCOCC4)CC3)nc2c(=O)[nH]c1=O ZINC000138598645 1069128410 /nfs/dbraw/zinc/12/84/10/1069128410.db2.gz QAJOGLQOAXTNLW-UHFFFAOYSA-N 1 0 404.471 -0.547 20 0 HBADRO NC(=O)NC(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000139123093 1068866472 /nfs/dbraw/zinc/86/64/72/1068866472.db2.gz CLLKGPPPQFTKCT-UHFFFAOYSA-N 1 0 411.484 -0.040 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000140367676 1068868510 /nfs/dbraw/zinc/86/85/10/1068868510.db2.gz WZCZMZRNEYBQDG-UHFFFAOYSA-N 1 0 419.548 -0.999 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000140569795 1068868604 /nfs/dbraw/zinc/86/86/04/1068868604.db2.gz FHNDPWNRFMRTLG-UHFFFAOYSA-N 1 0 417.510 -0.103 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000140872810 1068869398 /nfs/dbraw/zinc/86/93/98/1068869398.db2.gz SMJUVPCZOVYZTR-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000141359149 1069460368 /nfs/dbraw/zinc/46/03/68/1069460368.db2.gz DUMHMVGXRWQALY-GOSISDBHSA-N 1 0 417.510 -0.103 20 0 HBADRO COCC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000141482505 1068871055 /nfs/dbraw/zinc/87/10/55/1068871055.db2.gz UKCZZMJEPLATQM-UHFFFAOYSA-N 1 0 400.501 -0.124 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)c2)CC1 ZINC000142137232 1068871555 /nfs/dbraw/zinc/87/15/55/1068871555.db2.gz FRIRGXCAVSKXNS-UHFFFAOYSA-N 1 0 417.510 -0.262 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)CC1 ZINC000142936691 1068871246 /nfs/dbraw/zinc/87/12/46/1068871246.db2.gz PCFIJHATQFFSCL-UHFFFAOYSA-N 1 0 411.528 -0.572 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000143649002 1068872488 /nfs/dbraw/zinc/87/24/88/1068872488.db2.gz VZCHRDPBEPJOBS-UHFFFAOYSA-N 1 0 401.467 -0.297 20 0 HBADRO CC(=O)N(C)C1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000143676179 1068872159 /nfs/dbraw/zinc/87/21/59/1068872159.db2.gz RXUGTKHYSMKOMF-UHFFFAOYSA-N 1 0 414.514 -0.045 20 0 HBADRO CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000143763057 1068872303 /nfs/dbraw/zinc/87/23/03/1068872303.db2.gz AHXFBNAOOJFATJ-UHFFFAOYSA-N 1 0 409.512 -0.665 20 0 HBADRO COC(=O)CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC(C)C ZINC000143790626 1068872585 /nfs/dbraw/zinc/87/25/85/1068872585.db2.gz PZVPTJXGNAZWHN-INIZCTEOSA-N 1 0 403.545 -0.161 20 0 HBADRO CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000144090108 1068872460 /nfs/dbraw/zinc/87/24/60/1068872460.db2.gz TVOCZVBEKNIJKS-UHFFFAOYSA-N 1 0 403.483 -0.004 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000144181095 1068873004 /nfs/dbraw/zinc/87/30/04/1068873004.db2.gz BRBYGXNTQIVTFO-SJORKVTESA-N 1 0 404.515 -0.012 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000144181259 1068873141 /nfs/dbraw/zinc/87/31/41/1068873141.db2.gz BRBYGXNTQIVTFO-IRXDYDNUSA-N 1 0 404.515 -0.012 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000144181479 1068873043 /nfs/dbraw/zinc/87/30/43/1068873043.db2.gz BRBYGXNTQIVTFO-IAGOWNOFSA-N 1 0 404.515 -0.012 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000144181668 1068872880 /nfs/dbraw/zinc/87/28/80/1068872880.db2.gz BRBYGXNTQIVTFO-DLBZAZTESA-N 1 0 404.515 -0.012 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000144266139 1068308657 /nfs/dbraw/zinc/30/86/57/1068308657.db2.gz XPESKTNUXPZKSJ-SJORKVTESA-N 1 0 411.547 -0.918 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000144266283 1068308460 /nfs/dbraw/zinc/30/84/60/1068308460.db2.gz XPESKTNUXPZKSJ-IRXDYDNUSA-N 1 0 411.547 -0.918 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000144266482 1069489369 /nfs/dbraw/zinc/48/93/69/1069489369.db2.gz XPESKTNUXPZKSJ-IAGOWNOFSA-N 1 0 411.547 -0.918 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000144266691 1069489340 /nfs/dbraw/zinc/48/93/40/1069489340.db2.gz XPESKTNUXPZKSJ-DLBZAZTESA-N 1 0 411.547 -0.918 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000144448223 1068873805 /nfs/dbraw/zinc/87/38/05/1068873805.db2.gz JAFFHPLOIQSZNV-UHFFFAOYSA-N 1 0 417.510 -0.310 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000144513142 1069491674 /nfs/dbraw/zinc/49/16/74/1069491674.db2.gz YGCOWNVKPJNSPQ-CABCVRRESA-N 1 0 406.549 -0.753 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000144513357 1069491719 /nfs/dbraw/zinc/49/17/19/1069491719.db2.gz YGCOWNVKPJNSPQ-GJZGRUSLSA-N 1 0 406.549 -0.753 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000144513543 1069491572 /nfs/dbraw/zinc/49/15/72/1069491572.db2.gz YGCOWNVKPJNSPQ-HUUCEWRRSA-N 1 0 406.549 -0.753 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000144513700 1068309687 /nfs/dbraw/zinc/30/96/87/1068309687.db2.gz YGCOWNVKPJNSPQ-LSDHHAIUSA-N 1 0 406.549 -0.753 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)c2)CC1 ZINC000145051353 1068873550 /nfs/dbraw/zinc/87/35/50/1068873550.db2.gz QZLOXJVUEQIDRK-UHFFFAOYSA-N 1 0 417.510 -0.229 20 0 HBADRO O=C(C[C@@H]1NC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O)N1CCOCC1 ZINC000145497787 1068874911 /nfs/dbraw/zinc/87/49/11/1068874911.db2.gz SELWGMCALHNUDX-ROUUACIJSA-N 1 0 416.478 -0.425 20 0 HBADRO O=C(C[C@@H]1NC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O)N1CCOCC1 ZINC000145498006 1068875181 /nfs/dbraw/zinc/87/51/81/1068875181.db2.gz SELWGMCALHNUDX-MSOLQXFVSA-N 1 0 416.478 -0.425 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000146312295 1068875749 /nfs/dbraw/zinc/87/57/49/1068875749.db2.gz GHQDBJXURPGSLH-UHFFFAOYSA-N 1 0 407.500 -0.259 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)c2ccccc2O1 ZINC000148634670 1068878278 /nfs/dbraw/zinc/87/82/78/1068878278.db2.gz HDNSDRLSHHVYRY-KRWDZBQOSA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)c2ccccc2O1 ZINC000148634853 1068878295 /nfs/dbraw/zinc/87/82/95/1068878295.db2.gz HDNSDRLSHHVYRY-QGZVFWFLSA-N 1 0 404.467 -0.246 20 0 HBADRO CS(=O)(=O)N1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000164447249 1068878432 /nfs/dbraw/zinc/87/84/32/1068878432.db2.gz OOTDKQQJFQGCLQ-UHFFFAOYSA-N 1 0 404.514 -0.370 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](Cc3ccncc3)CC1)c(=O)n2C ZINC000195554083 1072060670 /nfs/dbraw/zinc/06/06/70/1072060670.db2.gz VLPLMNNALWFYDK-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN1c1ccc(F)cc1 ZINC000229375973 1071007888 /nfs/dbraw/zinc/00/78/88/1071007888.db2.gz SYOKCPZRUYGEKC-DYVFJYSZSA-N 1 0 418.473 -0.051 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN1c1ccc(F)cc1 ZINC000229375987 1071007987 /nfs/dbraw/zinc/00/79/87/1071007987.db2.gz SYOKCPZRUYGEKC-CXAGYDPISA-N 1 0 418.473 -0.051 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN1c1ccccc1 ZINC000229376011 1071008222 /nfs/dbraw/zinc/00/82/22/1071008222.db2.gz RIDPFDOTDOCUGZ-PBHICJAKSA-N 1 0 400.483 -0.190 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)=NN1c1ccccc1 ZINC000229376029 1071008182 /nfs/dbraw/zinc/00/81/82/1071008182.db2.gz RIDPFDOTDOCUGZ-RHSMWYFYSA-N 1 0 400.483 -0.190 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H](C)O1 ZINC000229770217 1071030195 /nfs/dbraw/zinc/03/01/95/1071030195.db2.gz ZBXPPALPWVEQJS-KFWWJZLASA-N 1 0 414.528 -0.233 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H](C)O1 ZINC000229770222 1071030219 /nfs/dbraw/zinc/03/02/19/1071030219.db2.gz ZBXPPALPWVEQJS-ZNMIVQPWSA-N 1 0 414.528 -0.233 20 0 HBADRO O=C(CN1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)NC1CC1 ZINC000261385501 1071306269 /nfs/dbraw/zinc/30/62/69/1071306269.db2.gz BHYIXEBHWSXYKV-KRWDZBQOSA-N 1 0 401.467 -0.240 20 0 HBADRO O=C(CN1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)NC1CC1 ZINC000261385522 1071306012 /nfs/dbraw/zinc/30/60/12/1071306012.db2.gz BHYIXEBHWSXYKV-QGZVFWFLSA-N 1 0 401.467 -0.240 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)C1 ZINC000261402849 1068208722 /nfs/dbraw/zinc/20/87/22/1068208722.db2.gz AAYPVGIKNBDHLC-IBGZPJMESA-N 1 0 422.618 -0.243 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)C1 ZINC000261402852 1068208608 /nfs/dbraw/zinc/20/86/08/1068208608.db2.gz AAYPVGIKNBDHLC-LJQANCHMSA-N 1 0 422.618 -0.243 20 0 HBADRO Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000261442144 1069282775 /nfs/dbraw/zinc/28/27/75/1069282775.db2.gz YIWKIOCKVJRONX-JTQLQIEISA-N 1 0 400.277 -0.041 20 0 HBADRO Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000261442145 1069244613 /nfs/dbraw/zinc/24/46/13/1069244613.db2.gz YIWKIOCKVJRONX-SNVBAGLBSA-N 1 0 400.277 -0.041 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)nc2n(C)c1=O ZINC000261454474 1068304278 /nfs/dbraw/zinc/30/42/78/1068304278.db2.gz QOFXBJJKYKQQEX-AWEZNQCLSA-N 1 0 400.483 -0.516 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)nc2n(C)c1=O ZINC000261454475 1068304465 /nfs/dbraw/zinc/30/44/65/1068304465.db2.gz QOFXBJJKYKQQEX-CQSZACIVSA-N 1 0 400.483 -0.516 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000302874314 1071488904 /nfs/dbraw/zinc/48/89/04/1071488904.db2.gz CXEMRRXWHVJMLF-UHFFFAOYSA-N 1 0 417.514 -0.936 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)CC1 ZINC000303069952 1071507281 /nfs/dbraw/zinc/50/72/81/1071507281.db2.gz WXSFXJPJJYNMQT-UHFFFAOYSA-N 1 0 414.510 -0.079 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cnc2n(C)c1=O ZINC000303321591 1071532084 /nfs/dbraw/zinc/53/20/84/1071532084.db2.gz RHFVKLJGCLPCCT-INIZCTEOSA-N 1 0 414.510 -0.126 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cnc2n(C)c1=O ZINC000303321594 1071532299 /nfs/dbraw/zinc/53/22/99/1071532299.db2.gz RHFVKLJGCLPCCT-MRXNPFEDSA-N 1 0 414.510 -0.126 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](CN3CCOCC3)C1)c(=O)n2C ZINC000303467320 1071542451 /nfs/dbraw/zinc/54/24/51/1071542451.db2.gz PQTSLTCKVYHOFJ-INIZCTEOSA-N 1 0 404.515 -0.132 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](CN3CCOCC3)C1)c(=O)n2C ZINC000303467321 1071542580 /nfs/dbraw/zinc/54/25/80/1071542580.db2.gz PQTSLTCKVYHOFJ-MRXNPFEDSA-N 1 0 404.515 -0.132 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000303540669 1071546151 /nfs/dbraw/zinc/54/61/51/1071546151.db2.gz JOFZSGVFYLFGTJ-UHFFFAOYSA-N 1 0 402.499 -0.220 20 0 HBADRO CC(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000303561013 1071547346 /nfs/dbraw/zinc/54/73/46/1071547346.db2.gz KHAQVVAYSFUDAL-INIZCTEOSA-N 1 0 402.499 -0.366 20 0 HBADRO CC(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000303561014 1071547308 /nfs/dbraw/zinc/54/73/08/1071547308.db2.gz KHAQVVAYSFUDAL-MRXNPFEDSA-N 1 0 402.499 -0.366 20 0 HBADRO CC(C)[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)N1CC[NH+](C)CC1 ZINC000303623024 1071548995 /nfs/dbraw/zinc/54/89/95/1071548995.db2.gz SJCNHCKKQALGLA-INIZCTEOSA-N 1 0 402.499 -0.366 20 0 HBADRO CC(C)[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)N1CC[NH+](C)CC1 ZINC000303623026 1071549113 /nfs/dbraw/zinc/54/91/13/1071549113.db2.gz SJCNHCKKQALGLA-MRXNPFEDSA-N 1 0 402.499 -0.366 20 0 HBADRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000303727085 1069182309 /nfs/dbraw/zinc/18/23/09/1069182309.db2.gz CLHNXNQUHOWOQF-CYBMUJFWSA-N 1 0 402.499 -0.446 20 0 HBADRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000303727087 1069182361 /nfs/dbraw/zinc/18/23/61/1069182361.db2.gz CLHNXNQUHOWOQF-ZDUSSCGKSA-N 1 0 402.499 -0.446 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)n1C ZINC000323508814 1069779015 /nfs/dbraw/zinc/77/90/15/1069779015.db2.gz XRZXIRZJCVIORS-UHFFFAOYSA-N 1 0 408.322 -0.114 20 0 HBADRO CO[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000409457243 1071926978 /nfs/dbraw/zinc/92/69/78/1071926978.db2.gz JZBKNMHLNXAFIC-KRWDZBQOSA-N 1 0 422.511 -0.229 20 0 HBADRO CO[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000409457245 1071927067 /nfs/dbraw/zinc/92/70/67/1071927067.db2.gz JZBKNMHLNXAFIC-QGZVFWFLSA-N 1 0 422.511 -0.229 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000409652562 1071937761 /nfs/dbraw/zinc/93/77/61/1071937761.db2.gz NPRRIXPVTVTYFL-KRWDZBQOSA-N 1 0 414.506 -0.037 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000409652563 1071937846 /nfs/dbraw/zinc/93/78/46/1071937846.db2.gz NPRRIXPVTVTYFL-QGZVFWFLSA-N 1 0 414.506 -0.037 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000409669378 1071938339 /nfs/dbraw/zinc/93/83/39/1071938339.db2.gz NPECZBDKBJLQDS-UHFFFAOYSA-N 1 0 416.526 -0.475 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccn1 ZINC000409757640 1071939755 /nfs/dbraw/zinc/93/97/55/1071939755.db2.gz JPWSABCLDKVPLT-UHFFFAOYSA-N 1 0 414.532 -0.862 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(OCCO)CCOCC1 ZINC000409812061 1071941919 /nfs/dbraw/zinc/94/19/19/1071941919.db2.gz OXXYEUCVMKIIBE-UHFFFAOYSA-N 1 0 404.533 -0.102 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410055502 1071946689 /nfs/dbraw/zinc/94/66/89/1071946689.db2.gz AUZDPXGAARHNPK-JYJNAYRXSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410055503 1071946768 /nfs/dbraw/zinc/94/67/68/1071946768.db2.gz AUZDPXGAARHNPK-OAGGEKHMSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410055504 1071946778 /nfs/dbraw/zinc/94/67/78/1071946778.db2.gz AUZDPXGAARHNPK-PMPSAXMXSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410055505 1071946670 /nfs/dbraw/zinc/94/66/70/1071946670.db2.gz AUZDPXGAARHNPK-XHSDSOJGSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000410055788 1071946585 /nfs/dbraw/zinc/94/65/85/1071946585.db2.gz BUGFQDHBMSXQAG-HNNXBMFYSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000410055789 1071946746 /nfs/dbraw/zinc/94/67/46/1071946746.db2.gz BUGFQDHBMSXQAG-OAHLLOKOSA-N 1 0 403.549 -0.361 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)co1 ZINC000410163221 1071951095 /nfs/dbraw/zinc/95/10/95/1071951095.db2.gz OSZNFZMUNDKORY-UHFFFAOYSA-N 1 0 402.473 -0.950 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCc1c(C)nc2ncnn2c1C ZINC000410166147 1071951133 /nfs/dbraw/zinc/95/11/33/1071951133.db2.gz AAXSVRVKSZCYGA-UHFFFAOYSA-N 1 0 417.514 -0.077 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000410166161 1071951179 /nfs/dbraw/zinc/95/11/79/1071951179.db2.gz AHGIWQGZWPIXLE-UHFFFAOYSA-N 1 0 412.512 -0.079 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000410166246 1071950376 /nfs/dbraw/zinc/95/03/76/1071950376.db2.gz BCOIFDFQOQLXMI-CYBMUJFWSA-N 1 0 408.421 -0.354 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000410166249 1071950643 /nfs/dbraw/zinc/95/06/43/1071950643.db2.gz BCOIFDFQOQLXMI-ZDUSSCGKSA-N 1 0 408.421 -0.354 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cc1 ZINC000410166362 1071950616 /nfs/dbraw/zinc/95/06/16/1071950616.db2.gz DAFQAWVKTCIMIA-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000410166365 1071950627 /nfs/dbraw/zinc/95/06/27/1071950627.db2.gz DBCDXYPAIGVJFI-UHFFFAOYSA-N 1 0 415.494 -0.275 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000410166366 1071950588 /nfs/dbraw/zinc/95/05/88/1071950588.db2.gz DCOKYNHVIVDRLL-UHFFFAOYSA-N 1 0 416.478 -0.078 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000410166531 1071950547 /nfs/dbraw/zinc/95/05/47/1071950547.db2.gz FGFDISVUDNVAAN-UHFFFAOYSA-N 1 0 408.474 -0.267 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000410166562 1071950487 /nfs/dbraw/zinc/95/04/87/1071950487.db2.gz FUONATWAQSYZGR-UHFFFAOYSA-N 1 0 402.451 -0.468 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000410166721 1071950574 /nfs/dbraw/zinc/95/05/74/1071950574.db2.gz HDVCSEGBORBXOQ-UHFFFAOYSA-N 1 0 412.437 -0.056 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000410166999 1071950462 /nfs/dbraw/zinc/95/04/62/1071950462.db2.gz KWUZKUKAWCHUOV-UHFFFAOYSA-N 1 0 416.500 -0.608 20 0 HBADRO CNC(=O)c1cccc(OCC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1 ZINC000410167056 1071950341 /nfs/dbraw/zinc/95/03/41/1071950341.db2.gz MEUXTPQUGMHCSM-UHFFFAOYSA-N 1 0 406.483 -0.326 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CCN(c2cnccn2)CC1 ZINC000410167402 1071953171 /nfs/dbraw/zinc/95/31/71/1071953171.db2.gz AHFJQWVEGNNVSA-UHFFFAOYSA-N 1 0 404.515 -0.058 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000410167410 1071952942 /nfs/dbraw/zinc/95/29/42/1071952942.db2.gz AINCAAJLWMLXBD-UHFFFAOYSA-N 1 0 401.467 -0.355 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cncc(N2CCOCC2)c1 ZINC000410167759 1071953082 /nfs/dbraw/zinc/95/30/82/1071953082.db2.gz DHBYPJGAOULOFE-UHFFFAOYSA-N 1 0 405.499 -0.219 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2ccc(C)cn2c1=O ZINC000410167866 1071953022 /nfs/dbraw/zinc/95/30/22/1071953022.db2.gz FFEMIYFNMFMHDD-UHFFFAOYSA-N 1 0 401.467 -0.134 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000410167908 1071952972 /nfs/dbraw/zinc/95/29/72/1071952972.db2.gz FTZZMXWOMJOPJA-UHFFFAOYSA-N 1 0 418.498 -0.157 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000410168243 1071952428 /nfs/dbraw/zinc/95/24/28/1071952428.db2.gz YNSGIQABBHNKOQ-INIZCTEOSA-N 1 0 418.560 -0.703 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000410168245 1071952275 /nfs/dbraw/zinc/95/22/75/1071952275.db2.gz YNSGIQABBHNKOQ-MRXNPFEDSA-N 1 0 418.560 -0.703 20 0 HBADRO CCC1(CC)NC(=O)N(CC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)C1=O ZINC000410168787 1071952488 /nfs/dbraw/zinc/95/24/88/1071952488.db2.gz MODDXJNCYYHPMK-UHFFFAOYSA-N 1 0 411.503 -0.654 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000410168801 1071952412 /nfs/dbraw/zinc/95/24/12/1071952412.db2.gz MWVCTYIBCJFHCU-UHFFFAOYSA-N 1 0 417.466 -0.649 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(F)cc1F ZINC000410168861 1071952547 /nfs/dbraw/zinc/95/25/47/1071952547.db2.gz AFWRRSKVPGMURO-UHFFFAOYSA-N 1 0 412.437 -0.056 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)o1 ZINC000410168894 1071952252 /nfs/dbraw/zinc/95/22/52/1071952252.db2.gz ASBCMHDGACQGFX-UHFFFAOYSA-N 1 0 402.473 -0.950 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000410168931 1071952323 /nfs/dbraw/zinc/95/23/23/1071952323.db2.gz BBQITTQQNPNLKT-UHFFFAOYSA-N 1 0 412.437 -0.056 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2sc(C)cn2c1=O ZINC000410168963 1071952311 /nfs/dbraw/zinc/95/23/11/1071952311.db2.gz BRXUXVLEZIVFPC-UHFFFAOYSA-N 1 0 407.496 -0.073 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000410169337 1071952507 /nfs/dbraw/zinc/95/25/07/1071952507.db2.gz QRVAACLNWKXRHU-UHFFFAOYSA-N 1 0 404.475 -0.962 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000410169391 1071952599 /nfs/dbraw/zinc/95/25/99/1071952599.db2.gz RWVJNRUNLDAXQX-UHFFFAOYSA-N 1 0 403.483 -0.411 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1nc2ccccn2c1=O ZINC000410169436 1071952442 /nfs/dbraw/zinc/95/24/42/1071952442.db2.gz FCXZSYYEWLEYHW-UHFFFAOYSA-N 1 0 404.471 -0.865 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c(C)o1 ZINC000410169525 1071952577 /nfs/dbraw/zinc/95/25/77/1071952577.db2.gz UDTKQKKWFXJVAI-UHFFFAOYSA-N 1 0 416.500 -0.641 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000410169539 1068571252 /nfs/dbraw/zinc/57/12/52/1068571252.db2.gz GMESFTYFKAXJGC-UHFFFAOYSA-N 1 0 408.503 -0.244 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000410169650 1071952335 /nfs/dbraw/zinc/95/23/35/1071952335.db2.gz VCQBVZUTUXHIBP-UHFFFAOYSA-N 1 0 420.466 -0.606 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CSCC(=O)N1CCCCC1 ZINC000410169809 1071952394 /nfs/dbraw/zinc/95/23/94/1071952394.db2.gz HFJYOPBNEMRUCY-UHFFFAOYSA-N 1 0 414.572 -0.019 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000410169907 1071952292 /nfs/dbraw/zinc/95/22/92/1071952292.db2.gz ILTBOJCJXZJHOG-UHFFFAOYSA-N 1 0 417.510 -0.021 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000410170148 1071952564 /nfs/dbraw/zinc/95/25/64/1071952564.db2.gz JHSKPZOUWAVEBO-HNNXBMFYSA-N 1 0 423.514 -0.512 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000410170149 1071952353 /nfs/dbraw/zinc/95/23/53/1071952353.db2.gz JHSKPZOUWAVEBO-OAHLLOKOSA-N 1 0 423.514 -0.512 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000410170268 1071951733 /nfs/dbraw/zinc/95/17/33/1071951733.db2.gz ZSYFLRKRWQQSGF-UHFFFAOYSA-N 1 0 423.514 -0.510 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1nnc2ccccc2c1=O ZINC000410170510 1071951813 /nfs/dbraw/zinc/95/18/13/1071951813.db2.gz CHLUSQVPDGRWCI-UHFFFAOYSA-N 1 0 416.482 -0.569 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000410170933 1071951761 /nfs/dbraw/zinc/95/17/61/1071951761.db2.gz HTQHVMUAJJYXPG-UHFFFAOYSA-N 1 0 401.467 -0.355 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000410170986 1071951774 /nfs/dbraw/zinc/95/17/74/1071951774.db2.gz JBBNRABQUIOZLR-CALCHBBNSA-N 1 0 422.526 -0.199 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000410170987 1071951635 /nfs/dbraw/zinc/95/16/35/1071951635.db2.gz JBBNRABQUIOZLR-IAGOWNOFSA-N 1 0 422.526 -0.199 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000410171034 1071951830 /nfs/dbraw/zinc/95/18/30/1071951830.db2.gz PXUGGOGEFPWSSQ-UHFFFAOYSA-N 1 0 417.466 -0.649 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000410171088 1071951716 /nfs/dbraw/zinc/95/17/16/1071951716.db2.gz JBBNRABQUIOZLR-IRXDYDNUSA-N 1 0 422.526 -0.199 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(S(N)(=O)=O)c1C ZINC000410171236 1071951691 /nfs/dbraw/zinc/95/16/91/1071951691.db2.gz KJHIUZRSLAFKON-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccccc1OC ZINC000410171311 1071951790 /nfs/dbraw/zinc/95/17/90/1071951790.db2.gz KWHUIJJNRVFRNL-UHFFFAOYSA-N 1 0 406.483 -0.326 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc(Br)cn1 ZINC000410171685 1071953631 /nfs/dbraw/zinc/95/36/31/1071953631.db2.gz UWZCSRGKKOXURJ-UHFFFAOYSA-N 1 0 402.293 -0.105 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000410171694 1071953857 /nfs/dbraw/zinc/95/38/57/1071953857.db2.gz UZMLJKBDUMDGHO-UHFFFAOYSA-N 1 0 409.487 -0.900 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000410171744 1071953678 /nfs/dbraw/zinc/95/36/78/1071953678.db2.gz NWXSBUWTRKUOPA-UHFFFAOYSA-N 1 0 402.455 -0.960 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(C)cccn2c1=O ZINC000410171980 1071953594 /nfs/dbraw/zinc/95/35/94/1071953594.db2.gz XVYYEWRXJAZJJK-UHFFFAOYSA-N 1 0 401.467 -0.134 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc(OC)c1 ZINC000410172030 1071953787 /nfs/dbraw/zinc/95/37/87/1071953787.db2.gz YONGILSDPHHMAF-UHFFFAOYSA-N 1 0 406.483 -0.326 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000410172391 1071953894 /nfs/dbraw/zinc/95/38/94/1071953894.db2.gz PWXREHFBOYJIJM-UHFFFAOYSA-N 1 0 418.560 -0.559 20 0 HBADRO CCS(=O)(=O)N1CCC(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1 ZINC000410172510 1071953837 /nfs/dbraw/zinc/95/38/37/1071953837.db2.gz QZZYIYILYMURKV-UHFFFAOYSA-N 1 0 418.560 -0.703 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000410172521 1071953730 /nfs/dbraw/zinc/95/37/30/1071953730.db2.gz DBDGBQFDFFDLOD-UHFFFAOYSA-N 1 0 416.478 -0.160 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1ncc(=O)c2ccccc21 ZINC000410172707 1071953817 /nfs/dbraw/zinc/95/38/17/1071953817.db2.gz UDZJLGZYHXUIOE-UHFFFAOYSA-N 1 0 401.467 -0.355 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2cc(C)ccn2c1=O ZINC000410172737 1071953615 /nfs/dbraw/zinc/95/36/15/1071953615.db2.gz ARJOVOYAGLMADX-UHFFFAOYSA-N 1 0 401.467 -0.134 20 0 HBADRO CNS(=O)(=O)c1cccc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1 ZINC000410172988 1071953922 /nfs/dbraw/zinc/95/39/22/1071953922.db2.gz VTNQBJCUDMNOFO-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000410173290 1071953160 /nfs/dbraw/zinc/95/31/60/1071953160.db2.gz DHIKODXUBFBVGR-INIZCTEOSA-N 1 0 406.483 -0.123 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000410173291 1071952959 /nfs/dbraw/zinc/95/29/59/1071952959.db2.gz DHIKODXUBFBVGR-MRXNPFEDSA-N 1 0 406.483 -0.123 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000410173345 1071953117 /nfs/dbraw/zinc/95/31/17/1071953117.db2.gz XACGBKDNCZBTQD-UHFFFAOYSA-N 1 0 401.471 -0.546 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c(C)nc2ccccc2c1=O ZINC000410173543 1071953103 /nfs/dbraw/zinc/95/31/03/1071953103.db2.gz YUFWXJDNLXGQFT-UHFFFAOYSA-N 1 0 415.494 -0.046 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000410174124 1071952997 /nfs/dbraw/zinc/95/29/97/1071952997.db2.gz GYTGLNIKURBLFT-UHFFFAOYSA-N 1 0 411.503 -0.654 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000410174194 1071953041 /nfs/dbraw/zinc/95/30/41/1071953041.db2.gz HULBQNUFSVPIGJ-UHFFFAOYSA-N 1 0 420.558 -0.119 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000410174208 1071952909 /nfs/dbraw/zinc/95/29/09/1071952909.db2.gz IAGDEUDOWJLYBO-UHFFFAOYSA-N 1 0 403.545 -0.017 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1CCc2ccccc2C1=O ZINC000410174376 1071953940 /nfs/dbraw/zinc/95/39/40/1071953940.db2.gz JLAFAFWVSKBNTA-UHFFFAOYSA-N 1 0 402.495 -0.066 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000410174530 1071953128 /nfs/dbraw/zinc/95/31/28/1071953128.db2.gz TZIHHLFFWFTBOC-UHFFFAOYSA-N 1 0 416.500 -0.608 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000410174896 1071953748 /nfs/dbraw/zinc/95/37/48/1071953748.db2.gz MOGBNZZQKJFCDC-UHFFFAOYSA-N 1 0 417.470 -0.467 20 0 HBADRO CNS(=O)(=O)c1csc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1 ZINC000410174907 1071953662 /nfs/dbraw/zinc/95/36/62/1071953662.db2.gz MWCWDMBZYHRHCY-UHFFFAOYSA-N 1 0 418.541 -0.481 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000410174931 1071953567 /nfs/dbraw/zinc/95/35/67/1071953567.db2.gz NPTVUPATYQGULI-UHFFFAOYSA-N 1 0 403.487 -0.467 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000410175081 1071952926 /nfs/dbraw/zinc/95/29/26/1071952926.db2.gz ZDPPXRWGQOVYFF-UHFFFAOYSA-N 1 0 402.451 -0.225 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000410175340 1071953712 /nfs/dbraw/zinc/95/37/12/1071953712.db2.gz PZPIREFQBMTKNR-UHFFFAOYSA-N 1 0 406.483 -0.326 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000410175762 1071953144 /nfs/dbraw/zinc/95/31/44/1071953144.db2.gz UPURGAVJHDQQTH-UHFFFAOYSA-N 1 0 415.494 -0.046 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000410176110 1071953645 /nfs/dbraw/zinc/95/36/45/1071953645.db2.gz WGSBTYDDWKDYDU-UHFFFAOYSA-N 1 0 423.514 -0.510 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2scc(C)n2c1=O ZINC000410176123 1071953874 /nfs/dbraw/zinc/95/38/74/1071953874.db2.gz WPCYGARWABRHIZ-UHFFFAOYSA-N 1 0 407.496 -0.073 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)COc2ccccc21 ZINC000410176125 1071953695 /nfs/dbraw/zinc/95/36/95/1071953695.db2.gz WQLSHIWTAXDRMI-UHFFFAOYSA-N 1 0 404.467 -0.339 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000410176168 1071952917 /nfs/dbraw/zinc/95/29/17/1071952917.db2.gz WWHYXKFPJDNICR-UHFFFAOYSA-N 1 0 418.542 -0.547 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000410189794 1071746372 /nfs/dbraw/zinc/74/63/72/1071746372.db2.gz ADXJUVWHEUZTHB-GDBMZVCRSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000410189795 1071746195 /nfs/dbraw/zinc/74/61/95/1071746195.db2.gz ADXJUVWHEUZTHB-GOEBONIOSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000410189796 1071746130 /nfs/dbraw/zinc/74/61/30/1071746130.db2.gz ADXJUVWHEUZTHB-HOCLYGCPSA-N 1 0 417.576 -0.054 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000410189797 1071746336 /nfs/dbraw/zinc/74/63/36/1071746336.db2.gz ADXJUVWHEUZTHB-ZBFHGGJFSA-N 1 0 417.576 -0.054 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410217266 1071956983 /nfs/dbraw/zinc/95/69/83/1071956983.db2.gz GSAJAZAHASXQLC-CVEARBPZSA-N 1 0 415.560 -0.346 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410217267 1071956832 /nfs/dbraw/zinc/95/68/32/1071956832.db2.gz GSAJAZAHASXQLC-HOTGVXAUSA-N 1 0 415.560 -0.346 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410217268 1071957066 /nfs/dbraw/zinc/95/70/66/1071957066.db2.gz GSAJAZAHASXQLC-HZPDHXFCSA-N 1 0 415.560 -0.346 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410217269 1071956931 /nfs/dbraw/zinc/95/69/31/1071956931.db2.gz GSAJAZAHASXQLC-JKSUJKDBSA-N 1 0 415.560 -0.346 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000410224599 1071957460 /nfs/dbraw/zinc/95/74/60/1071957460.db2.gz OXUWLUZAWKYXDZ-KKUMJFAQSA-N 1 0 403.549 -0.409 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000410224600 1071957517 /nfs/dbraw/zinc/95/75/17/1071957517.db2.gz OXUWLUZAWKYXDZ-RRFJBIMHSA-N 1 0 403.549 -0.409 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000410224601 1071957441 /nfs/dbraw/zinc/95/74/41/1071957441.db2.gz OXUWLUZAWKYXDZ-SOUVJXGZSA-N 1 0 403.549 -0.409 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000410224602 1071957405 /nfs/dbraw/zinc/95/74/05/1071957405.db2.gz OXUWLUZAWKYXDZ-ZNMIVQPWSA-N 1 0 403.549 -0.409 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)NC3CCN(CC[NH+](C)C)CC3)cnc2n(C)c1=O ZINC000410319677 1071959843 /nfs/dbraw/zinc/95/98/43/1071959843.db2.gz XNFIKEQDFRMKCV-UHFFFAOYSA-N 1 0 403.487 -0.220 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000410328276 1071959981 /nfs/dbraw/zinc/95/99/81/1071959981.db2.gz ZDPAHBWSQQZLMF-UHFFFAOYSA-N 1 0 408.547 -0.511 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000410329133 1071959882 /nfs/dbraw/zinc/95/98/82/1071959882.db2.gz XSTVTWXQAIHFHL-UHFFFAOYSA-N 1 0 413.486 -0.414 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000410330391 1071959755 /nfs/dbraw/zinc/95/97/55/1071959755.db2.gz XWEAZUHOOXHEIX-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)no1 ZINC000410350390 1071960030 /nfs/dbraw/zinc/96/00/30/1071960030.db2.gz DTCQEQMLRFCKPT-UHFFFAOYSA-N 1 0 421.546 0.275 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000410371862 1071959915 /nfs/dbraw/zinc/95/99/15/1071959915.db2.gz USSCFMGAQZZUFZ-CYBMUJFWSA-N 1 0 404.471 -0.437 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000410371864 1071960489 /nfs/dbraw/zinc/96/04/89/1071960489.db2.gz USSCFMGAQZZUFZ-ZDUSSCGKSA-N 1 0 404.471 -0.437 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000410410984 1071960994 /nfs/dbraw/zinc/96/09/94/1071960994.db2.gz ZDKKGUSOZBHCAZ-UHFFFAOYSA-N 1 0 416.486 -0.333 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000410411531 1071961152 /nfs/dbraw/zinc/96/11/52/1071961152.db2.gz QJLJLYPVBVDWAJ-UHFFFAOYSA-N 1 0 416.486 -0.333 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 ZINC000425923862 1070087891 /nfs/dbraw/zinc/08/78/91/1070087891.db2.gz ORQRSCKTNGYTMY-UHFFFAOYSA-N 1 0 417.510 -0.086 20 0 HBADRO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425924034 1070087822 /nfs/dbraw/zinc/08/78/22/1070087822.db2.gz MNLMTGPEXFPJSJ-NRFANRHFSA-N 1 0 415.494 -0.582 20 0 HBADRO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425924374 1070087623 /nfs/dbraw/zinc/08/76/23/1070087623.db2.gz MNLMTGPEXFPJSJ-OAQYLSRUSA-N 1 0 415.494 -0.582 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000425937855 1070096026 /nfs/dbraw/zinc/09/60/26/1070096026.db2.gz UCOKCISFHYDBMG-CRAIPNDOSA-N 1 0 415.494 0.564 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000425937858 1070096094 /nfs/dbraw/zinc/09/60/94/1070096094.db2.gz UCOKCISFHYDBMG-MAUKXSAKSA-N 1 0 415.494 0.564 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000425957171 1070109766 /nfs/dbraw/zinc/10/97/66/1070109766.db2.gz ZYYOJKFAKPJVEX-HNNXBMFYSA-N 1 0 415.498 0.492 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000425957172 1070109717 /nfs/dbraw/zinc/10/97/17/1070109717.db2.gz ZYYOJKFAKPJVEX-OAHLLOKOSA-N 1 0 415.498 0.492 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000425965547 1070116076 /nfs/dbraw/zinc/11/60/76/1070116076.db2.gz UFDASBWSCKBOGF-HNNXBMFYSA-N 1 0 415.498 0.492 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000425965549 1070116277 /nfs/dbraw/zinc/11/62/77/1070116277.db2.gz UFDASBWSCKBOGF-OAHLLOKOSA-N 1 0 415.498 0.492 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000425987615 1070134524 /nfs/dbraw/zinc/13/45/24/1070134524.db2.gz BFEPFECFARSLHA-UHFFFAOYSA-N 1 0 403.531 -0.076 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000426044270 1070152351 /nfs/dbraw/zinc/15/23/51/1070152351.db2.gz RRVUQWJVAXAZSB-UHFFFAOYSA-N 1 0 409.512 -0.488 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000426069529 1070156731 /nfs/dbraw/zinc/15/67/31/1070156731.db2.gz KOGOYEABCHQZRM-AWEZNQCLSA-N 1 0 415.516 -0.011 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000426069530 1070156651 /nfs/dbraw/zinc/15/66/51/1070156651.db2.gz KOGOYEABCHQZRM-CQSZACIVSA-N 1 0 415.516 -0.011 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)c(=O)n2C ZINC000426116462 1070169186 /nfs/dbraw/zinc/16/91/86/1070169186.db2.gz UFWDCLHXVSDMGG-LLVKDONJSA-N 1 0 416.404 -0.176 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)c(=O)n2C ZINC000426116470 1070169358 /nfs/dbraw/zinc/16/93/58/1070169358.db2.gz UFWDCLHXVSDMGG-NSHDSACASA-N 1 0 416.404 -0.176 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426129761 1070177751 /nfs/dbraw/zinc/17/77/51/1070177751.db2.gz WEKWABKIKMUYNM-CYBMUJFWSA-N 1 0 407.437 -0.781 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426129766 1070177809 /nfs/dbraw/zinc/17/78/09/1070177809.db2.gz WEKWABKIKMUYNM-ZDUSSCGKSA-N 1 0 407.437 -0.781 20 0 HBADRO CC[N@H+](CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)CCC(F)(F)F ZINC000426139920 1070179214 /nfs/dbraw/zinc/17/92/14/1070179214.db2.gz NFCFFCYLTUUFHI-UHFFFAOYSA-N 1 0 406.413 -0.199 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000426143179 1070181527 /nfs/dbraw/zinc/18/15/27/1070181527.db2.gz LOLAFAKYTBYKEK-JTQLQIEISA-N 1 0 402.377 -0.566 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000426143180 1070181646 /nfs/dbraw/zinc/18/16/46/1070181646.db2.gz LOLAFAKYTBYKEK-SNVBAGLBSA-N 1 0 402.377 -0.566 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000426149886 1070184940 /nfs/dbraw/zinc/18/49/40/1070184940.db2.gz CHIVZQCLRNIYIZ-DOMZBBRYSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000426149887 1070184868 /nfs/dbraw/zinc/18/48/68/1070184868.db2.gz CHIVZQCLRNIYIZ-IUODEOHRSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000426149888 1070184977 /nfs/dbraw/zinc/18/49/77/1070184977.db2.gz CHIVZQCLRNIYIZ-SWLSCSKDSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000426149889 1070184898 /nfs/dbraw/zinc/18/48/98/1070184898.db2.gz CHIVZQCLRNIYIZ-WFASDCNBSA-N 1 0 400.501 -0.173 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000426153046 1070183246 /nfs/dbraw/zinc/18/32/46/1070183246.db2.gz LCTPNOXXTFSJFK-LLVKDONJSA-N 1 0 402.439 -0.616 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000426153047 1070183349 /nfs/dbraw/zinc/18/33/49/1070183349.db2.gz LCTPNOXXTFSJFK-NSHDSACASA-N 1 0 402.439 -0.616 20 0 HBADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000426156041 1070186605 /nfs/dbraw/zinc/18/66/05/1070186605.db2.gz DNWHEAIBCJMAHT-UHFFFAOYSA-N 1 0 403.593 -0.560 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000426187548 1070193296 /nfs/dbraw/zinc/19/32/96/1070193296.db2.gz BVQZPFLMNMYXDX-UHFFFAOYSA-N 1 0 411.528 -0.243 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000426220091 1070202182 /nfs/dbraw/zinc/20/21/82/1070202182.db2.gz MIANJXKJNZELME-HNNXBMFYSA-N 1 0 400.501 -0.029 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426220092 1070202088 /nfs/dbraw/zinc/20/20/88/1070202088.db2.gz MIANJXKJNZELME-OAHLLOKOSA-N 1 0 400.501 -0.029 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(C(C)(C)C(N)=O)CC3)cn2)CC1 ZINC000426249579 1070213662 /nfs/dbraw/zinc/21/36/62/1070213662.db2.gz FFRHIJQNEVHZOK-UHFFFAOYSA-N 1 0 403.531 -0.076 20 0 HBADRO CC(C)Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n[nH]1 ZINC000426257321 1070217803 /nfs/dbraw/zinc/21/78/03/1070217803.db2.gz PQZISEXUCGOHED-UHFFFAOYSA-N 1 0 404.475 0.060 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(C(C)(C)C(N)=O)CC3)ccn2)CC1 ZINC000426267420 1070222293 /nfs/dbraw/zinc/22/22/93/1070222293.db2.gz NDMJTRVOBZRUQS-UHFFFAOYSA-N 1 0 403.531 -0.076 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000426285363 1070232807 /nfs/dbraw/zinc/23/28/07/1070232807.db2.gz HCYLTEATWMQHGE-CYBMUJFWSA-N 1 0 410.548 -0.105 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000426285364 1069683619 /nfs/dbraw/zinc/68/36/19/1069683619.db2.gz HCYLTEATWMQHGE-ZDUSSCGKSA-N 1 0 410.548 -0.105 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000426328347 1069682856 /nfs/dbraw/zinc/68/28/56/1069682856.db2.gz YAZXNRQZAMQLND-UHFFFAOYSA-N 1 0 410.548 -0.105 20 0 HBADRO Cn1nc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC(F)F ZINC000426527984 1070314243 /nfs/dbraw/zinc/31/42/43/1070314243.db2.gz CTSVWLRPULDDFX-JTQLQIEISA-N 1 0 402.402 -0.336 20 0 HBADRO Cn1nc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC(F)F ZINC000426527986 1070314139 /nfs/dbraw/zinc/31/41/39/1070314139.db2.gz CTSVWLRPULDDFX-SNVBAGLBSA-N 1 0 402.402 -0.336 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000426528911 1070314781 /nfs/dbraw/zinc/31/47/81/1070314781.db2.gz IBXDYJHFHJRGLJ-UHFFFAOYSA-N 1 0 410.446 -0.069 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000426534288 1070318999 /nfs/dbraw/zinc/31/89/99/1070318999.db2.gz VIMGVGLJDYZMSI-MSOLQXFVSA-N 1 0 421.542 -0.160 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1)N1CCCC1 ZINC000426534289 1070318669 /nfs/dbraw/zinc/31/86/69/1070318669.db2.gz VIMGVGLJDYZMSI-QZTJIDSGSA-N 1 0 421.542 -0.160 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1)N1CCCC1 ZINC000426534290 1070318694 /nfs/dbraw/zinc/31/86/94/1070318694.db2.gz VIMGVGLJDYZMSI-ROUUACIJSA-N 1 0 421.542 -0.160 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000426534291 1070318963 /nfs/dbraw/zinc/31/89/63/1070318963.db2.gz VIMGVGLJDYZMSI-ZWKOTPCHSA-N 1 0 421.542 -0.160 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1)N1CCOCC1 ZINC000426537070 1070317843 /nfs/dbraw/zinc/31/78/43/1070317843.db2.gz GYGZPVWYRPSCBO-MOPGFXCFSA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1)N1CCOCC1 ZINC000426537072 1070317919 /nfs/dbraw/zinc/31/79/19/1070317919.db2.gz GYGZPVWYRPSCBO-OALUTQOASA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1)N1CCOCC1 ZINC000426537073 1070317760 /nfs/dbraw/zinc/31/77/60/1070317760.db2.gz GYGZPVWYRPSCBO-RBUKOAKNSA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1)N1CCOCC1 ZINC000426537075 1070317902 /nfs/dbraw/zinc/31/79/02/1070317902.db2.gz GYGZPVWYRPSCBO-RTBURBONSA-N 1 0 423.558 -0.450 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426537170 1070319940 /nfs/dbraw/zinc/31/99/40/1070319940.db2.gz FEKDAQPIKLVAQX-MSOLQXFVSA-N 1 0 411.547 -0.546 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426537171 1070319854 /nfs/dbraw/zinc/31/98/54/1070319854.db2.gz FEKDAQPIKLVAQX-QZTJIDSGSA-N 1 0 411.547 -0.546 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426537172 1070319751 /nfs/dbraw/zinc/31/97/51/1070319751.db2.gz FEKDAQPIKLVAQX-ROUUACIJSA-N 1 0 411.547 -0.546 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426537173 1070319887 /nfs/dbraw/zinc/31/98/87/1070319887.db2.gz FEKDAQPIKLVAQX-ZWKOTPCHSA-N 1 0 411.547 -0.546 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426538872 1070320367 /nfs/dbraw/zinc/32/03/67/1070320367.db2.gz KMJPIJBAKKWBGU-MOPGFXCFSA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426538873 1070320471 /nfs/dbraw/zinc/32/04/71/1070320471.db2.gz KMJPIJBAKKWBGU-OALUTQOASA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426538876 1070320136 /nfs/dbraw/zinc/32/01/36/1070320136.db2.gz KMJPIJBAKKWBGU-RBUKOAKNSA-N 1 0 423.558 -0.450 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426538877 1070320453 /nfs/dbraw/zinc/32/04/53/1070320453.db2.gz KMJPIJBAKKWBGU-RTBURBONSA-N 1 0 423.558 -0.450 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)c1=O ZINC000426538977 1070319789 /nfs/dbraw/zinc/31/97/89/1070319789.db2.gz LECOXJZVJJXCIK-DLBZAZTESA-N 1 0 404.515 -0.010 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)c1=O ZINC000426538979 1070319818 /nfs/dbraw/zinc/31/98/18/1070319818.db2.gz LECOXJZVJJXCIK-IAGOWNOFSA-N 1 0 404.515 -0.010 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)c1=O ZINC000426538982 1070319973 /nfs/dbraw/zinc/31/99/73/1070319973.db2.gz LECOXJZVJJXCIK-IRXDYDNUSA-N 1 0 404.515 -0.010 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)c1=O ZINC000426538984 1070319832 /nfs/dbraw/zinc/31/98/32/1070319832.db2.gz LECOXJZVJJXCIK-SJORKVTESA-N 1 0 404.515 -0.010 20 0 HBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NCC3CC[NH+](CCO)CC3)ccc21 ZINC000426540995 1070318908 /nfs/dbraw/zinc/31/89/08/1070318908.db2.gz UHWWQTOAQVYCIJ-UHFFFAOYSA-N 1 0 418.494 -0.019 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426542580 1070322704 /nfs/dbraw/zinc/32/27/04/1070322704.db2.gz ZOSVABUDZVTLLY-DLBZAZTESA-N 1 0 409.531 -0.257 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426542583 1070322608 /nfs/dbraw/zinc/32/26/08/1070322608.db2.gz ZOSVABUDZVTLLY-IAGOWNOFSA-N 1 0 409.531 -0.257 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426542584 1070322564 /nfs/dbraw/zinc/32/25/64/1070322564.db2.gz ZOSVABUDZVTLLY-IRXDYDNUSA-N 1 0 409.531 -0.257 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426542585 1070322874 /nfs/dbraw/zinc/32/28/74/1070322874.db2.gz ZOSVABUDZVTLLY-SJORKVTESA-N 1 0 409.531 -0.257 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000426546687 1070323882 /nfs/dbraw/zinc/32/38/82/1070323882.db2.gz BNXBHTYCHPALMI-KRWDZBQOSA-N 1 0 409.531 -0.038 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000426546688 1070323773 /nfs/dbraw/zinc/32/37/73/1070323773.db2.gz BNXBHTYCHPALMI-QGZVFWFLSA-N 1 0 409.531 -0.038 20 0 HBADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)n2)cc1 ZINC000426550035 1070326102 /nfs/dbraw/zinc/32/61/02/1070326102.db2.gz VQBVQUIONGMRLK-INIZCTEOSA-N 1 0 400.483 0.241 20 0 HBADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)n2)cc1 ZINC000426550036 1070326280 /nfs/dbraw/zinc/32/62/80/1070326280.db2.gz VQBVQUIONGMRLK-MRXNPFEDSA-N 1 0 400.483 0.241 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426551357 1070325985 /nfs/dbraw/zinc/32/59/85/1070325985.db2.gz ZDPPYVLZFYPLJL-MSOLQXFVSA-N 1 0 421.542 -0.113 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426551360 1070326512 /nfs/dbraw/zinc/32/65/12/1070326512.db2.gz ZDPPYVLZFYPLJL-QZTJIDSGSA-N 1 0 421.542 -0.113 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426551361 1070326608 /nfs/dbraw/zinc/32/66/08/1070326608.db2.gz ZDPPYVLZFYPLJL-ROUUACIJSA-N 1 0 421.542 -0.113 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426551362 1070326698 /nfs/dbraw/zinc/32/66/98/1070326698.db2.gz ZDPPYVLZFYPLJL-ZWKOTPCHSA-N 1 0 421.542 -0.113 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000426557547 1070330904 /nfs/dbraw/zinc/33/09/04/1070330904.db2.gz FTPWPIAIQACPCJ-INIZCTEOSA-N 1 0 404.467 -0.003 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000426557548 1070330794 /nfs/dbraw/zinc/33/07/94/1070330794.db2.gz FTPWPIAIQACPCJ-MRXNPFEDSA-N 1 0 404.467 -0.003 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426560492 1070330032 /nfs/dbraw/zinc/33/00/32/1070330032.db2.gz LFRWQXPXSFTECS-DLBZAZTESA-N 1 0 420.518 -0.705 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426560497 1070330379 /nfs/dbraw/zinc/33/03/79/1070330379.db2.gz LFRWQXPXSFTECS-IAGOWNOFSA-N 1 0 420.518 -0.705 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426560499 1070330362 /nfs/dbraw/zinc/33/03/62/1070330362.db2.gz LFRWQXPXSFTECS-IRXDYDNUSA-N 1 0 420.518 -0.705 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426560500 1070331130 /nfs/dbraw/zinc/33/11/30/1070331130.db2.gz LFRWQXPXSFTECS-SJORKVTESA-N 1 0 420.518 -0.705 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)cn1 ZINC000426561142 1070330232 /nfs/dbraw/zinc/33/02/32/1070330232.db2.gz UFTRQOZHAOXGPT-UHFFFAOYSA-N 1 0 415.454 -0.815 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426562552 1070333318 /nfs/dbraw/zinc/33/33/18/1070333318.db2.gz TWHCSDHZSBLGFO-DLBZAZTESA-N 1 0 407.515 -0.503 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426562553 1070333166 /nfs/dbraw/zinc/33/31/66/1070333166.db2.gz TWHCSDHZSBLGFO-IAGOWNOFSA-N 1 0 407.515 -0.503 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426562554 1070333117 /nfs/dbraw/zinc/33/31/17/1070333117.db2.gz TWHCSDHZSBLGFO-IRXDYDNUSA-N 1 0 407.515 -0.503 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426562555 1070333362 /nfs/dbraw/zinc/33/33/62/1070333362.db2.gz TWHCSDHZSBLGFO-SJORKVTESA-N 1 0 407.515 -0.503 20 0 HBADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)n2)cc1 ZINC000426570001 1070333769 /nfs/dbraw/zinc/33/37/69/1070333769.db2.gz HGOBFZIBOWZGNG-UHFFFAOYSA-N 1 0 401.467 0.451 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C3CCCC3)[nH]n2)cn1 ZINC000426572969 1070336360 /nfs/dbraw/zinc/33/63/60/1070336360.db2.gz IUXQCQWZQOFWGV-UHFFFAOYSA-N 1 0 416.486 0.519 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cn1 ZINC000426577888 1070341035 /nfs/dbraw/zinc/34/10/35/1070341035.db2.gz RCIWXNXUSPMAEO-UHFFFAOYSA-N 1 0 418.502 0.450 20 0 HBADRO Cc1c([C@H]2[C@H](CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC(=O)N2C)cnn1C ZINC000426603219 1070349201 /nfs/dbraw/zinc/34/92/01/1070349201.db2.gz ORLVIIAMUCFIBV-QILLFSRXSA-N 1 0 419.530 -0.113 20 0 HBADRO Cc1c([C@H]2[C@H](CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC(=O)N2C)cnn1C ZINC000426603220 1070348912 /nfs/dbraw/zinc/34/89/12/1070348912.db2.gz ORLVIIAMUCFIBV-YXJHDRRASA-N 1 0 419.530 -0.113 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000426680065 1069620234 /nfs/dbraw/zinc/62/02/34/1069620234.db2.gz KMEQISPWKXSQPR-HNNXBMFYSA-N 1 0 415.498 0.492 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000426680067 1069615559 /nfs/dbraw/zinc/61/55/59/1069615559.db2.gz KMEQISPWKXSQPR-OAHLLOKOSA-N 1 0 415.498 0.492 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000426691225 1069614866 /nfs/dbraw/zinc/61/48/66/1069614866.db2.gz GKWJTHCWSQMOFV-CABCVRRESA-N 1 0 408.503 0.088 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000426691226 1069619497 /nfs/dbraw/zinc/61/94/97/1069619497.db2.gz GKWJTHCWSQMOFV-GJZGRUSLSA-N 1 0 408.503 0.088 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000426691227 1069614795 /nfs/dbraw/zinc/61/47/95/1069614795.db2.gz GKWJTHCWSQMOFV-HUUCEWRRSA-N 1 0 408.503 0.088 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000426691228 1069619515 /nfs/dbraw/zinc/61/95/15/1069619515.db2.gz GKWJTHCWSQMOFV-LSDHHAIUSA-N 1 0 408.503 0.088 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000426691759 1070421843 /nfs/dbraw/zinc/42/18/43/1070421843.db2.gz LERKBRLXRHEFCH-HNNXBMFYSA-N 1 0 406.487 -0.204 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000426691760 1070422019 /nfs/dbraw/zinc/42/20/19/1070422019.db2.gz LERKBRLXRHEFCH-OAHLLOKOSA-N 1 0 406.487 -0.204 20 0 HBADRO Cn1nc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC(F)F ZINC000426691822 1070421758 /nfs/dbraw/zinc/42/17/58/1070421758.db2.gz LTUJWUVCQDBAIE-UHFFFAOYSA-N 1 0 414.413 -0.273 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)CC1 ZINC000426702698 1069611220 /nfs/dbraw/zinc/61/12/20/1069611220.db2.gz CPJFEXDVKTXRAP-HNNXBMFYSA-N 1 0 408.503 0.042 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000426702699 1070421210 /nfs/dbraw/zinc/42/12/10/1070421210.db2.gz CPJFEXDVKTXRAP-OAHLLOKOSA-N 1 0 408.503 0.042 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000426705363 1070421000 /nfs/dbraw/zinc/42/10/00/1070421000.db2.gz ORIRYJNABHEGEJ-UHFFFAOYSA-N 1 0 416.429 -0.027 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000426795511 1070429427 /nfs/dbraw/zinc/42/94/27/1070429427.db2.gz YLJVTIQAUWHMII-UHFFFAOYSA-N 1 0 406.512 -0.004 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCNS(=O)(=O)Cc3ccon3)ccn2)CC1 ZINC000426838907 1070431042 /nfs/dbraw/zinc/43/10/42/1070431042.db2.gz WTTFOSAHGJTLIV-UHFFFAOYSA-N 1 0 408.484 -0.329 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)CC1 ZINC000426846455 1070431898 /nfs/dbraw/zinc/43/18/98/1070431898.db2.gz VVPMHMCFAPWLRQ-HNNXBMFYSA-N 1 0 409.512 -0.067 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)CC1 ZINC000426846456 1070431969 /nfs/dbraw/zinc/43/19/69/1070431969.db2.gz VVPMHMCFAPWLRQ-OAHLLOKOSA-N 1 0 409.512 -0.067 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1=O ZINC000426851879 1070432826 /nfs/dbraw/zinc/43/28/26/1070432826.db2.gz URTOZINGIXRAJF-CVEARBPZSA-N 1 0 402.499 -0.072 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1=O ZINC000426851880 1070432659 /nfs/dbraw/zinc/43/26/59/1070432659.db2.gz URTOZINGIXRAJF-HOTGVXAUSA-N 1 0 402.499 -0.072 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1=O ZINC000426851881 1070432580 /nfs/dbraw/zinc/43/25/80/1070432580.db2.gz URTOZINGIXRAJF-HZPDHXFCSA-N 1 0 402.499 -0.072 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1=O ZINC000426851882 1070432634 /nfs/dbraw/zinc/43/26/34/1070432634.db2.gz URTOZINGIXRAJF-JKSUJKDBSA-N 1 0 402.499 -0.072 20 0 HBADRO CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000426862495 1070435088 /nfs/dbraw/zinc/43/50/88/1070435088.db2.gz TUQKAOKXAWHJAY-UHFFFAOYSA-N 1 0 409.512 -0.065 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCNS(=O)(=O)Cc1ccon1 ZINC000426869063 1070435566 /nfs/dbraw/zinc/43/55/66/1070435566.db2.gz NKMWEUKZPPDYOZ-UHFFFAOYSA-N 1 0 422.511 -0.183 20 0 HBADRO COc1nc(NC[C@@H]2CN(C3CC3)CCO2)nc(NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000426879093 1070438569 /nfs/dbraw/zinc/43/85/69/1070438569.db2.gz ONQMUSMJKBMXQD-IAGOWNOFSA-N 1 0 419.530 -0.726 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000426888682 1070440108 /nfs/dbraw/zinc/44/01/08/1070440108.db2.gz JBLXLWPIHVSXAK-AWEZNQCLSA-N 1 0 411.484 -0.362 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000426888683 1070439882 /nfs/dbraw/zinc/43/98/82/1070439882.db2.gz JBLXLWPIHVSXAK-CQSZACIVSA-N 1 0 411.484 -0.362 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cn1 ZINC000426890240 1070440152 /nfs/dbraw/zinc/44/01/52/1070440152.db2.gz QXRSWKGEBJCXFK-AWEZNQCLSA-N 1 0 411.484 -0.362 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cn1 ZINC000426890304 1070440018 /nfs/dbraw/zinc/44/00/18/1070440018.db2.gz QXRSWKGEBJCXFK-CQSZACIVSA-N 1 0 411.484 -0.362 20 0 HBADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 ZINC000426894278 1070441738 /nfs/dbraw/zinc/44/17/38/1070441738.db2.gz AYVCIJQWUJCTQD-HNNXBMFYSA-N 1 0 400.501 -0.158 20 0 HBADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 ZINC000426894279 1070441677 /nfs/dbraw/zinc/44/16/77/1070441677.db2.gz AYVCIJQWUJCTQD-OAHLLOKOSA-N 1 0 400.501 -0.158 20 0 HBADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000426896942 1070442490 /nfs/dbraw/zinc/44/24/90/1070442490.db2.gz NLZOQUGLMXUKIW-INIZCTEOSA-N 1 0 414.528 -0.496 20 0 HBADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000426896943 1070442439 /nfs/dbraw/zinc/44/24/39/1070442439.db2.gz NLZOQUGLMXUKIW-MRXNPFEDSA-N 1 0 414.528 -0.496 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426914179 1069542887 /nfs/dbraw/zinc/54/28/87/1069542887.db2.gz NPNOFQUTCALMBW-UHFFFAOYSA-N 1 0 414.514 0.166 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)cn1 ZINC000426915872 1070444013 /nfs/dbraw/zinc/44/40/13/1070444013.db2.gz YMNZMKLKJWQKGU-UHFFFAOYSA-N 1 0 414.514 0.166 20 0 HBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426944860 1069611661 /nfs/dbraw/zinc/61/16/61/1069611661.db2.gz YBCMBYDMHUTAHC-UHFFFAOYSA-N 1 0 414.532 -0.124 20 0 HBADRO Cn1nc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1OC(F)F ZINC000426962340 1070447197 /nfs/dbraw/zinc/44/71/97/1070447197.db2.gz CBYJVIYOUBXCCQ-LLVKDONJSA-N 1 0 414.413 -0.275 20 0 HBADRO Cn1nc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC(F)F ZINC000426962341 1070447135 /nfs/dbraw/zinc/44/71/35/1070447135.db2.gz CBYJVIYOUBXCCQ-NSHDSACASA-N 1 0 414.413 -0.275 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000426966202 1069614106 /nfs/dbraw/zinc/61/41/06/1069614106.db2.gz UBGVBZRHHOYFOF-CABCVRRESA-N 1 0 406.487 -0.206 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000426966203 1069618836 /nfs/dbraw/zinc/61/88/36/1069618836.db2.gz UBGVBZRHHOYFOF-GJZGRUSLSA-N 1 0 406.487 -0.206 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000426966204 1069614303 /nfs/dbraw/zinc/61/43/03/1069614303.db2.gz UBGVBZRHHOYFOF-HUUCEWRRSA-N 1 0 406.487 -0.206 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000426966205 1069618731 /nfs/dbraw/zinc/61/87/31/1069618731.db2.gz UBGVBZRHHOYFOF-LSDHHAIUSA-N 1 0 406.487 -0.206 20 0 HBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)ccc21 ZINC000426967784 1070447836 /nfs/dbraw/zinc/44/78/36/1070447836.db2.gz FYSIAHACJYNVAE-HNNXBMFYSA-N 1 0 417.510 -0.087 20 0 HBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)ccc21 ZINC000426967785 1070447939 /nfs/dbraw/zinc/44/79/39/1070447939.db2.gz FYSIAHACJYNVAE-OAHLLOKOSA-N 1 0 417.510 -0.087 20 0 HBADRO COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000426978541 1070451072 /nfs/dbraw/zinc/45/10/72/1070451072.db2.gz TWXYJANEWCREAD-FQEVSTJZSA-N 1 0 404.467 -0.267 20 0 HBADRO COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)ccc21 ZINC000426978542 1070450990 /nfs/dbraw/zinc/45/09/90/1070450990.db2.gz TWXYJANEWCREAD-HXUWFJFHSA-N 1 0 404.467 -0.267 20 0 HBADRO COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc21 ZINC000426984324 1070448795 /nfs/dbraw/zinc/44/87/95/1070448795.db2.gz ZVCAOPBXRXVHAN-FQEVSTJZSA-N 1 0 406.483 -0.021 20 0 HBADRO COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000426984325 1070448713 /nfs/dbraw/zinc/44/87/13/1070448713.db2.gz ZVCAOPBXRXVHAN-HXUWFJFHSA-N 1 0 406.483 -0.021 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)n2)CC1 ZINC000427012272 1070453328 /nfs/dbraw/zinc/45/33/28/1070453328.db2.gz ODXSAMCIWXRHBS-UHFFFAOYSA-N 1 0 424.461 0.501 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427020000 1069636369 /nfs/dbraw/zinc/63/63/69/1069636369.db2.gz CZHCMEYZJAQBDC-UHFFFAOYSA-N 1 0 412.516 -0.418 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000427022492 1069545602 /nfs/dbraw/zinc/54/56/02/1069545602.db2.gz NEDUEVNDJDEUNX-UHFFFAOYSA-N 1 0 400.487 0.333 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000427028994 1070454926 /nfs/dbraw/zinc/45/49/26/1070454926.db2.gz HLUMWKMITRLVQX-AWEZNQCLSA-N 1 0 419.482 -0.380 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000427029507 1070455037 /nfs/dbraw/zinc/45/50/37/1070455037.db2.gz POHISWKYFIVWMC-KRWDZBQOSA-N 1 0 403.527 -0.103 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC(=O)NCCc3ccccc3)n2)CC1 ZINC000427031168 1069552959 /nfs/dbraw/zinc/55/29/59/1069552959.db2.gz PVMCXXXACWXKIN-UHFFFAOYSA-N 1 0 412.494 0.563 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)cn1 ZINC000427052879 1070459050 /nfs/dbraw/zinc/45/90/50/1070459050.db2.gz OWVRYDGKAJKYOG-KRWDZBQOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)cn1 ZINC000427052881 1070458910 /nfs/dbraw/zinc/45/89/10/1070458910.db2.gz OWVRYDGKAJKYOG-QGZVFWFLSA-N 1 0 420.514 -0.083 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000427071218 1070461399 /nfs/dbraw/zinc/46/13/99/1070461399.db2.gz CIEUEFKUPGZMAI-UHFFFAOYSA-N 1 0 410.446 -0.333 20 0 HBADRO COc1ccc(F)cc1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427087796 1070464720 /nfs/dbraw/zinc/46/47/20/1070464720.db2.gz ZEAREIUJWDUKPB-UHFFFAOYSA-N 1 0 420.445 -0.037 20 0 HBADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cccc1N1CCNC1=O ZINC000427087807 1070464775 /nfs/dbraw/zinc/46/47/75/1070464775.db2.gz PPVXJIUGHAQSPK-INIZCTEOSA-N 1 0 416.482 -0.081 20 0 HBADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1N1CCNC1=O ZINC000427087809 1070464555 /nfs/dbraw/zinc/46/45/55/1070464555.db2.gz PPVXJIUGHAQSPK-MRXNPFEDSA-N 1 0 416.482 -0.081 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1N1CCNC1=O ZINC000427088453 1070464496 /nfs/dbraw/zinc/46/44/96/1070464496.db2.gz SUNZPIDGMKDYOI-HNNXBMFYSA-N 1 0 416.482 -0.081 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1N1CCNC1=O ZINC000427088455 1070464659 /nfs/dbraw/zinc/46/46/59/1070464659.db2.gz SUNZPIDGMKDYOI-OAHLLOKOSA-N 1 0 416.482 -0.081 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)n2)CC1 ZINC000427096064 1070464765 /nfs/dbraw/zinc/46/47/65/1070464765.db2.gz ZWIXMKZOUOYYJW-UHFFFAOYSA-N 1 0 400.487 0.156 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000427100074 1070465443 /nfs/dbraw/zinc/46/54/43/1070465443.db2.gz KSYVAGPTEOLYSQ-DLBZAZTESA-N 1 0 402.561 -0.552 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000427100075 1070465252 /nfs/dbraw/zinc/46/52/52/1070465252.db2.gz KSYVAGPTEOLYSQ-IAGOWNOFSA-N 1 0 402.561 -0.552 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000427100076 1070465125 /nfs/dbraw/zinc/46/51/25/1070465125.db2.gz KSYVAGPTEOLYSQ-IRXDYDNUSA-N 1 0 402.561 -0.552 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000427100077 1070465418 /nfs/dbraw/zinc/46/54/18/1070465418.db2.gz KSYVAGPTEOLYSQ-SJORKVTESA-N 1 0 402.561 -0.552 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)CC1 ZINC000427106394 1070466242 /nfs/dbraw/zinc/46/62/42/1070466242.db2.gz DYXRLTMUPYKTCK-INIZCTEOSA-N 1 0 418.498 -0.062 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 ZINC000427106396 1070466042 /nfs/dbraw/zinc/46/60/42/1070466042.db2.gz DYXRLTMUPYKTCK-MRXNPFEDSA-N 1 0 418.498 -0.062 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCOCC1 ZINC000427116511 1069573527 /nfs/dbraw/zinc/57/35/27/1069573527.db2.gz YHBQWHBFFRWKHN-KRWDZBQOSA-N 1 0 406.531 0.561 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCOCC1 ZINC000427116512 1069572033 /nfs/dbraw/zinc/57/20/33/1069572033.db2.gz YHBQWHBFFRWKHN-QGZVFWFLSA-N 1 0 406.531 0.561 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427134506 1069568321 /nfs/dbraw/zinc/56/83/21/1069568321.db2.gz ZGBLFFGVWOAQAT-UHFFFAOYSA-N 1 0 419.530 -0.243 20 0 HBADRO CSC1(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[NH+](C)CC1 ZINC000427150352 1070470093 /nfs/dbraw/zinc/47/00/93/1070470093.db2.gz OOJBESJSPHWDIO-UHFFFAOYSA-N 1 0 403.530 -0.665 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000427156650 1070472765 /nfs/dbraw/zinc/47/27/65/1070472765.db2.gz BFSMHMCYWAIPKS-KRWDZBQOSA-N 1 0 402.561 -0.333 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000427156651 1070472835 /nfs/dbraw/zinc/47/28/35/1070472835.db2.gz BFSMHMCYWAIPKS-QGZVFWFLSA-N 1 0 402.561 -0.333 20 0 HBADRO CSC1(CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[NH+](C)CC1 ZINC000427196590 1070476365 /nfs/dbraw/zinc/47/63/65/1070476365.db2.gz LTNIEWFUIAMRQD-UHFFFAOYSA-N 1 0 408.590 -0.236 20 0 HBADRO COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427219437 1069606533 /nfs/dbraw/zinc/60/65/33/1069606533.db2.gz PQUZSBWYKXSSHJ-INIZCTEOSA-N 1 0 422.530 0.382 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000427222064 1070477827 /nfs/dbraw/zinc/47/78/27/1070477827.db2.gz FPYYIESGSRVUFJ-HNNXBMFYSA-N 1 0 420.514 0.184 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000427222065 1070477721 /nfs/dbraw/zinc/47/77/21/1070477721.db2.gz FPYYIESGSRVUFJ-OAHLLOKOSA-N 1 0 420.514 0.184 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)n2)CC1 ZINC000427226264 1070478662 /nfs/dbraw/zinc/47/86/62/1070478662.db2.gz ROLQYJMPEYAONL-UHFFFAOYSA-N 1 0 421.420 0.488 20 0 HBADRO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)[nH]1 ZINC000427229127 1070484693 /nfs/dbraw/zinc/48/46/93/1070484693.db2.gz FCGQCFBJZIABBX-UHFFFAOYSA-N 1 0 415.502 -0.141 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230560 1070485581 /nfs/dbraw/zinc/48/55/81/1070485581.db2.gz FXSZDWKGWWWENW-HNNXBMFYSA-N 1 0 406.531 0.392 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230561 1070485662 /nfs/dbraw/zinc/48/56/62/1070485662.db2.gz FXSZDWKGWWWENW-OAHLLOKOSA-N 1 0 406.531 0.392 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n2)CC1 ZINC000427231142 1070485651 /nfs/dbraw/zinc/48/56/51/1070485651.db2.gz UFZLRYOTTUPUMH-ZDUSSCGKSA-N 1 0 421.420 0.223 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC(=O)NC(=O)C34CCCCC4)n2)CC1 ZINC000427231947 1069553030 /nfs/dbraw/zinc/55/30/30/1069553030.db2.gz NYJWZJMLWTUYOB-UHFFFAOYSA-N 1 0 416.482 0.276 20 0 HBADRO Cn1c(=O)ccc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc21 ZINC000427238518 1070481712 /nfs/dbraw/zinc/48/17/12/1070481712.db2.gz WGWKANBKLRZOPB-UHFFFAOYSA-N 1 0 404.467 -0.124 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427240023 1070482715 /nfs/dbraw/zinc/48/27/15/1070482715.db2.gz VYWJXWQLVDXSDZ-UHFFFAOYSA-N 1 0 420.514 0.184 20 0 HBADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)N1CCOCC1 ZINC000427240572 1069573474 /nfs/dbraw/zinc/57/34/74/1069573474.db2.gz BHNXYCWFEPWUIU-KRWDZBQOSA-N 1 0 420.514 0.088 20 0 HBADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)N1CCOCC1 ZINC000427240573 1070482782 /nfs/dbraw/zinc/48/27/82/1070482782.db2.gz BHNXYCWFEPWUIU-QGZVFWFLSA-N 1 0 420.514 0.088 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n2)CC1 ZINC000427244789 1069553059 /nfs/dbraw/zinc/55/30/59/1069553059.db2.gz DYLCYXHQUZYLFY-IBGZPJMESA-N 1 0 409.487 0.297 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n2)CC1 ZINC000427244792 1069552935 /nfs/dbraw/zinc/55/29/35/1069552935.db2.gz DYLCYXHQUZYLFY-LJQANCHMSA-N 1 0 409.487 0.297 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1N1CCNC1=O ZINC000427248234 1070486297 /nfs/dbraw/zinc/48/62/97/1070486297.db2.gz FLNBYFVNMRLOOW-INIZCTEOSA-N 1 0 419.482 -0.385 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1N1CCNC1=O ZINC000427248237 1070486237 /nfs/dbraw/zinc/48/62/37/1070486237.db2.gz FLNBYFVNMRLOOW-MRXNPFEDSA-N 1 0 419.482 -0.385 20 0 HBADRO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1N1CCNC1=O ZINC000427249091 1070486283 /nfs/dbraw/zinc/48/62/83/1070486283.db2.gz JCVZUEABZHTJNA-HNNXBMFYSA-N 1 0 419.482 -0.385 20 0 HBADRO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cccc1N1CCNC1=O ZINC000427249092 1070486094 /nfs/dbraw/zinc/48/60/94/1070486094.db2.gz JCVZUEABZHTJNA-OAHLLOKOSA-N 1 0 419.482 -0.385 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427249314 1070486409 /nfs/dbraw/zinc/48/64/09/1070486409.db2.gz JWDYIXJMTQMVIV-INIZCTEOSA-N 1 0 402.451 -0.372 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427249317 1070486364 /nfs/dbraw/zinc/48/63/64/1070486364.db2.gz JWDYIXJMTQMVIV-MRXNPFEDSA-N 1 0 402.451 -0.372 20 0 HBADRO CC[N@H+](CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)CCC(F)(F)F ZINC000427253234 1070486904 /nfs/dbraw/zinc/48/69/04/1070486904.db2.gz MRHGWIJEFMMGSA-UHFFFAOYSA-N 1 0 404.393 -0.176 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000427273364 1070490899 /nfs/dbraw/zinc/49/08/99/1070490899.db2.gz IPXOWYBQJZSGKT-UHFFFAOYSA-N 1 0 406.483 -0.164 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1C(=O)N1CCOCC1 ZINC000427276413 1070491838 /nfs/dbraw/zinc/49/18/38/1070491838.db2.gz WPXGUSLZLPSZFI-FQEVSTJZSA-N 1 0 406.483 -0.165 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C(=O)N1CCOCC1 ZINC000427276415 1070491794 /nfs/dbraw/zinc/49/17/94/1070491794.db2.gz WPXGUSLZLPSZFI-HXUWFJFHSA-N 1 0 406.483 -0.165 20 0 HBADRO CC[N@H+](CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CCC(F)(F)F ZINC000427285255 1070494851 /nfs/dbraw/zinc/49/48/51/1070494851.db2.gz UMGVEKINMRFCDN-UHFFFAOYSA-N 1 0 404.393 -0.176 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)n2)CC1 ZINC000427286169 1069553136 /nfs/dbraw/zinc/55/31/36/1069553136.db2.gz CYFRFSNZQMQBDA-AWEZNQCLSA-N 1 0 403.487 0.151 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)n2)CC1 ZINC000427286170 1070493280 /nfs/dbraw/zinc/49/32/80/1070493280.db2.gz CYFRFSNZQMQBDA-CQSZACIVSA-N 1 0 403.487 0.151 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)n1 ZINC000427286182 1070493135 /nfs/dbraw/zinc/49/31/35/1070493135.db2.gz CZSOETTXXLEBRV-UHFFFAOYSA-N 1 0 412.498 0.536 20 0 HBADRO C[NH+]1CCC(n2ccc(=NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)[nH]2)CC1 ZINC000427288897 1069680545 /nfs/dbraw/zinc/68/05/45/1069680545.db2.gz NRSPCHFUNKOVKB-UHFFFAOYSA-N 1 0 419.515 -0.707 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)c(OCC[NH+](C)C)c1 ZINC000427301554 1070494880 /nfs/dbraw/zinc/49/48/80/1070494880.db2.gz KBOJBQAVZQLROT-UHFFFAOYSA-N 1 0 412.512 -0.118 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1C(=O)N1CCOCC1 ZINC000427307276 1070496580 /nfs/dbraw/zinc/49/65/80/1070496580.db2.gz GTKOTTBAUMLLFP-FQEVSTJZSA-N 1 0 404.467 -0.411 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1C(=O)N1CCOCC1 ZINC000427307279 1070496508 /nfs/dbraw/zinc/49/65/08/1070496508.db2.gz GTKOTTBAUMLLFP-HXUWFJFHSA-N 1 0 404.467 -0.411 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1CC(C)(C)O ZINC000427310424 1070496430 /nfs/dbraw/zinc/49/64/30/1070496430.db2.gz ZJKKBEDYFJSFIN-HNNXBMFYSA-N 1 0 406.531 0.392 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1CC(C)(C)O ZINC000427310425 1070496631 /nfs/dbraw/zinc/49/66/31/1070496631.db2.gz ZJKKBEDYFJSFIN-OAHLLOKOSA-N 1 0 406.531 0.392 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)n2)CC1 ZINC000427311842 1070497422 /nfs/dbraw/zinc/49/74/22/1070497422.db2.gz CKBPCXVWLOYGBI-UHFFFAOYSA-N 1 0 416.461 0.366 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)c2)CC1 ZINC000427314400 1070497291 /nfs/dbraw/zinc/49/72/91/1070497291.db2.gz QMAWUUMWEQOECF-UHFFFAOYSA-N 1 0 423.539 -0.225 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)n2)CC1 ZINC000427322129 1070498944 /nfs/dbraw/zinc/49/89/44/1070498944.db2.gz FCNYPOOSAAWGSG-KRWDZBQOSA-N 1 0 404.515 0.412 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)n2)CC1 ZINC000427322130 1070498958 /nfs/dbraw/zinc/49/89/58/1070498958.db2.gz FCNYPOOSAAWGSG-QGZVFWFLSA-N 1 0 404.515 0.412 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)n2)CC1 ZINC000427348759 1070501777 /nfs/dbraw/zinc/50/17/77/1070501777.db2.gz DBFDGBXNFSUGST-HNNXBMFYSA-N 1 0 411.528 0.514 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)n2)CC1 ZINC000427348760 1070501966 /nfs/dbraw/zinc/50/19/66/1070501966.db2.gz DBFDGBXNFSUGST-OAHLLOKOSA-N 1 0 411.528 0.514 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1=O ZINC000427363802 1069605054 /nfs/dbraw/zinc/60/50/54/1069605054.db2.gz ZBTMVCLKVZCYBW-UHFFFAOYSA-N 1 0 406.487 -0.204 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000427383763 1069587214 /nfs/dbraw/zinc/58/72/14/1069587214.db2.gz KYANODUFOFDACS-KRWDZBQOSA-N 1 0 411.572 0.522 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000427383768 1069587304 /nfs/dbraw/zinc/58/73/04/1069587304.db2.gz KYANODUFOFDACS-QGZVFWFLSA-N 1 0 411.572 0.522 20 0 HBADRO COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427395359 1070504737 /nfs/dbraw/zinc/50/47/37/1070504737.db2.gz ARLDCTVEATUQGP-UHFFFAOYSA-N 1 0 406.487 -0.204 20 0 HBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CCN2C1=O ZINC000427398543 1070505519 /nfs/dbraw/zinc/50/55/19/1070505519.db2.gz ZDRJUEQTRUNZJN-HNNXBMFYSA-N 1 0 405.503 -0.012 20 0 HBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CCN2C1=O ZINC000427398545 1070505409 /nfs/dbraw/zinc/50/54/09/1070505409.db2.gz ZDRJUEQTRUNZJN-OAHLLOKOSA-N 1 0 405.503 -0.012 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)n2)CC1 ZINC000427400373 1069552883 /nfs/dbraw/zinc/55/28/83/1069552883.db2.gz QPMDRADXMAIIPF-UHFFFAOYSA-N 1 0 402.377 0.279 20 0 HBADRO CC[C@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000427401398 1070505230 /nfs/dbraw/zinc/50/52/30/1070505230.db2.gz VHJDUDYHKIXKGM-IBGZPJMESA-N 1 0 408.503 -0.490 20 0 HBADRO CC[C@@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000427401399 1070505475 /nfs/dbraw/zinc/50/54/75/1070505475.db2.gz VHJDUDYHKIXKGM-LJQANCHMSA-N 1 0 408.503 -0.490 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCN1CCO ZINC000427404491 1070503690 /nfs/dbraw/zinc/50/36/90/1070503690.db2.gz KOUSMRCNCDOLPT-AWEZNQCLSA-N 1 0 419.482 -0.380 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCN1CCO ZINC000427404494 1070503800 /nfs/dbraw/zinc/50/38/00/1070503800.db2.gz KOUSMRCNCDOLPT-CQSZACIVSA-N 1 0 419.482 -0.380 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCN1CCO ZINC000427422226 1070509724 /nfs/dbraw/zinc/50/97/24/1070509724.db2.gz ULBNOSWAWWBRGY-KRWDZBQOSA-N 1 0 403.527 -0.103 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCN1CCO ZINC000427422228 1070509966 /nfs/dbraw/zinc/50/99/66/1070509966.db2.gz ULBNOSWAWWBRGY-QGZVFWFLSA-N 1 0 403.527 -0.103 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427490368 1069558786 /nfs/dbraw/zinc/55/87/86/1069558786.db2.gz KDHQJKNKAFEBLI-FQEVSTJZSA-N 1 0 413.482 0.134 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427490369 1070517630 /nfs/dbraw/zinc/51/76/30/1070517630.db2.gz KDHQJKNKAFEBLI-HXUWFJFHSA-N 1 0 413.482 0.134 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000427500496 1069545422 /nfs/dbraw/zinc/54/54/22/1069545422.db2.gz WNEITZNJWGMJMX-LLVKDONJSA-N 1 0 404.393 -0.090 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000427500497 1070521210 /nfs/dbraw/zinc/52/12/10/1070521210.db2.gz WNEITZNJWGMJMX-NSHDSACASA-N 1 0 404.393 -0.090 20 0 HBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccncn2)CC1)c1ccncn1 ZINC000427524058 1070524542 /nfs/dbraw/zinc/52/45/42/1070524542.db2.gz JMORAAHLSDJYMG-UHFFFAOYSA-N 1 0 412.498 -0.176 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)n2)CC1 ZINC000427529983 1070525432 /nfs/dbraw/zinc/52/54/32/1070525432.db2.gz HAURXVPKJWHLLO-INIZCTEOSA-N 1 0 404.515 0.269 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)n2)CC1 ZINC000427529984 1070525989 /nfs/dbraw/zinc/52/59/89/1070525989.db2.gz HAURXVPKJWHLLO-MRXNPFEDSA-N 1 0 404.515 0.269 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)cn1 ZINC000427530066 1070525813 /nfs/dbraw/zinc/52/58/13/1070525813.db2.gz YQKYYGHKHAHSLM-UHFFFAOYSA-N 1 0 400.487 0.171 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427532214 1069664004 /nfs/dbraw/zinc/66/40/04/1069664004.db2.gz XCOCNTYXDIRYLQ-UHFFFAOYSA-N 1 0 419.530 -0.289 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427539564 1070524383 /nfs/dbraw/zinc/52/43/83/1070524383.db2.gz IOKZODFRQPNEHX-AWEZNQCLSA-N 1 0 412.516 -0.372 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427539565 1070524314 /nfs/dbraw/zinc/52/43/14/1070524314.db2.gz IOKZODFRQPNEHX-CQSZACIVSA-N 1 0 412.516 -0.372 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2=O)cn1 ZINC000427551845 1070558498 /nfs/dbraw/zinc/55/84/98/1070558498.db2.gz ZDXGQOXKMLARKL-UHFFFAOYSA-N 1 0 414.470 -0.303 20 0 HBADRO COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427576411 1070653522 /nfs/dbraw/zinc/65/35/22/1070653522.db2.gz CIROIPJRMWOIKA-HNNXBMFYSA-N 1 0 420.514 0.184 20 0 HBADRO COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427576412 1070653638 /nfs/dbraw/zinc/65/36/38/1070653638.db2.gz CIROIPJRMWOIKA-OAHLLOKOSA-N 1 0 420.514 0.184 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)n2)CC1 ZINC000427578685 1070657824 /nfs/dbraw/zinc/65/78/24/1070657824.db2.gz PSTLIOWNFPBLQW-UHFFFAOYSA-N 1 0 404.515 0.412 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(Cc4ccon4)CC3)n2)CC1 ZINC000427583999 1070661634 /nfs/dbraw/zinc/66/16/34/1070661634.db2.gz SZZYCJBTOQROEM-UHFFFAOYSA-N 1 0 401.471 0.421 20 0 HBADRO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000427631006 1068785773 /nfs/dbraw/zinc/78/57/73/1068785773.db2.gz PGCLOYCSNDAALO-JOCHJYFZSA-N 1 0 418.538 -0.100 20 0 HBADRO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000427631007 1070710872 /nfs/dbraw/zinc/71/08/72/1070710872.db2.gz PGCLOYCSNDAALO-QFIPXVFZSA-N 1 0 418.538 -0.100 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000427658771 1070722844 /nfs/dbraw/zinc/72/28/44/1070722844.db2.gz BKZQJTXYCGHIRT-CYBMUJFWSA-N 1 0 410.496 -0.016 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C(N)=O ZINC000427687423 1070725577 /nfs/dbraw/zinc/72/55/77/1070725577.db2.gz INRZLYJUDYYPHT-LBPRGKRZSA-N 1 0 405.455 -0.161 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427690728 1070725897 /nfs/dbraw/zinc/72/58/97/1070725897.db2.gz UYRUNEOGXDQUOK-NEPJUHHUSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427690729 1070726005 /nfs/dbraw/zinc/72/60/05/1070726005.db2.gz UYRUNEOGXDQUOK-NWDGAFQWSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427690730 1070726059 /nfs/dbraw/zinc/72/60/59/1070726059.db2.gz UYRUNEOGXDQUOK-RYUDHWBXSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427690732 1070725952 /nfs/dbraw/zinc/72/59/52/1070725952.db2.gz UYRUNEOGXDQUOK-VXGBXAGGSA-N 1 0 402.411 -0.222 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000427691236 1070726128 /nfs/dbraw/zinc/72/61/28/1070726128.db2.gz WSTZFKOOPGSBTK-AWEZNQCLSA-N 1 0 406.487 -0.379 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1C(N)=O ZINC000427694104 1070723246 /nfs/dbraw/zinc/72/32/46/1070723246.db2.gz INRZLYJUDYYPHT-GFCCVEGCSA-N 1 0 405.455 -0.161 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000427694767 1069627608 /nfs/dbraw/zinc/62/76/08/1069627608.db2.gz KDFNHYXJCBVUTO-ZDUSSCGKSA-N 1 0 407.471 0.247 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000427695248 1070726855 /nfs/dbraw/zinc/72/68/55/1070726855.db2.gz LGSSYWSKMAFGLL-ZDUSSCGKSA-N 1 0 410.496 -0.016 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000427696803 1070727301 /nfs/dbraw/zinc/72/73/01/1070727301.db2.gz LGSSYWSKMAFGLL-CYBMUJFWSA-N 1 0 410.496 -0.016 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000427697145 1070727259 /nfs/dbraw/zinc/72/72/59/1070727259.db2.gz PXBOQZJGGXVVJR-AWEZNQCLSA-N 1 0 418.498 -0.188 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000427698363 1068794704 /nfs/dbraw/zinc/79/47/04/1068794704.db2.gz PXBOQZJGGXVVJR-CQSZACIVSA-N 1 0 418.498 -0.188 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000427699275 1070727343 /nfs/dbraw/zinc/72/73/43/1070727343.db2.gz WSTZFKOOPGSBTK-CQSZACIVSA-N 1 0 406.487 -0.379 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000427701428 1069627520 /nfs/dbraw/zinc/62/75/20/1069627520.db2.gz KDFNHYXJCBVUTO-CYBMUJFWSA-N 1 0 407.471 0.247 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000427717354 1070730054 /nfs/dbraw/zinc/73/00/54/1070730054.db2.gz BKZQJTXYCGHIRT-ZDUSSCGKSA-N 1 0 410.496 -0.016 20 0 HBADRO Cc1ccc(S(=O)(=O)NC2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)cc1 ZINC000427735691 1070733657 /nfs/dbraw/zinc/73/36/57/1070733657.db2.gz SFHPREAYJAIRSB-HNNXBMFYSA-N 1 0 408.524 -0.106 20 0 HBADRO Cc1ccc(S(=O)(=O)NC2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)cc1 ZINC000427735692 1070733472 /nfs/dbraw/zinc/73/34/72/1070733472.db2.gz SFHPREAYJAIRSB-OAHLLOKOSA-N 1 0 408.524 -0.106 20 0 HBADRO CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C(C)C ZINC000427755619 1070735822 /nfs/dbraw/zinc/73/58/22/1070735822.db2.gz FJJNBUAEXCNJSN-SFHVURJKSA-N 1 0 417.510 -0.172 20 0 HBADRO CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C(C)C ZINC000427759619 1070736651 /nfs/dbraw/zinc/73/66/51/1070736651.db2.gz FCUFABTWCRGTAY-INIZCTEOSA-N 1 0 403.483 -0.101 20 0 HBADRO COCCCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC[NH+](C)CC1 ZINC000427762611 1070737084 /nfs/dbraw/zinc/73/70/84/1070737084.db2.gz SZASKJKZCGZLEK-UHFFFAOYSA-N 1 0 415.516 -0.649 20 0 HBADRO CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(C)C ZINC000427767743 1070738208 /nfs/dbraw/zinc/73/82/08/1070738208.db2.gz CTXDYZWTXIJJCE-HNNXBMFYSA-N 1 0 405.455 -0.019 20 0 HBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)s1 ZINC000427791832 1070738163 /nfs/dbraw/zinc/73/81/63/1070738163.db2.gz YHMUMMBWEKZORB-BETUJISGSA-N 1 0 400.526 -0.318 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3OCC(=O)N3CCOCC3)C[C@H]2C1 ZINC000427848828 1070745853 /nfs/dbraw/zinc/74/58/53/1070745853.db2.gz MPLAIPURLCBGLQ-IYBDPMFKSA-N 1 0 416.478 -0.117 20 0 HBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000427849735 1070745932 /nfs/dbraw/zinc/74/59/32/1070745932.db2.gz GHDDGVVZBYXSKX-HDICACEKSA-N 1 0 413.522 -0.038 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)C[C@H]2C1 ZINC000427853066 1070745730 /nfs/dbraw/zinc/74/57/30/1070745730.db2.gz NOQRGEAQUPXVPR-IYBDPMFKSA-N 1 0 415.494 -0.084 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)ccn2)CC1 ZINC000427855804 1070746603 /nfs/dbraw/zinc/74/66/03/1070746603.db2.gz DEXPBTMEXXAYAF-GASCZTMLSA-N 1 0 400.483 -0.572 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]2C1 ZINC000427867826 1070748692 /nfs/dbraw/zinc/74/86/92/1070748692.db2.gz CHZYCILOJWUGDC-GASCZTMLSA-N 1 0 422.507 -0.334 20 0 HBADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000427872840 1070749556 /nfs/dbraw/zinc/74/95/56/1070749556.db2.gz DWPYNBGPSPDTES-KFWWJZLASA-N 1 0 424.523 -0.042 20 0 HBADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000427872841 1070749416 /nfs/dbraw/zinc/74/94/16/1070749416.db2.gz DWPYNBGPSPDTES-SOUVJXGZSA-N 1 0 424.523 -0.042 20 0 HBADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1S(=O)(=O)N(C)C ZINC000427877637 1070747169 /nfs/dbraw/zinc/74/71/69/1070747169.db2.gz YQYJXRPZHKGDFR-BETUJISGSA-N 1 0 410.496 -0.096 20 0 HBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427877862 1070747061 /nfs/dbraw/zinc/74/70/61/1070747061.db2.gz PFOFHLZXOXOOIC-OKILXGFUSA-N 1 0 423.539 -0.039 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2)C[C@@H](C)O1 ZINC000427881311 1070747592 /nfs/dbraw/zinc/74/75/92/1070747592.db2.gz YJRYQVFGRSLRSX-FPCVCCKLSA-N 1 0 418.498 -0.523 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2)C[C@H](C)O1 ZINC000427881314 1070747497 /nfs/dbraw/zinc/74/74/97/1070747497.db2.gz YJRYQVFGRSLRSX-GEEKYZPCSA-N 1 0 418.498 -0.523 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2)C[C@H](C)O1 ZINC000427881316 1070747562 /nfs/dbraw/zinc/74/75/62/1070747562.db2.gz YJRYQVFGRSLRSX-YHUYYLMFSA-N 1 0 418.498 -0.523 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)C[C@H]2C1 ZINC000427885411 1070750563 /nfs/dbraw/zinc/75/05/63/1070750563.db2.gz LXCNHIZYOBUGQK-GASCZTMLSA-N 1 0 406.508 -0.120 20 0 HBADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000427885535 1070750732 /nfs/dbraw/zinc/75/07/32/1070750732.db2.gz JKAJVDAZQGILEK-GASCZTMLSA-N 1 0 402.451 -0.062 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@H]2C1 ZINC000427887580 1070751192 /nfs/dbraw/zinc/75/11/92/1070751192.db2.gz QESBBWLHCQNHLB-GASCZTMLSA-N 1 0 422.507 -0.334 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000427888400 1070751297 /nfs/dbraw/zinc/75/12/97/1070751297.db2.gz SZXGYRZTVSJJQS-GASCZTMLSA-N 1 0 402.451 -0.523 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427889003 1068831786 /nfs/dbraw/zinc/83/17/86/1068831786.db2.gz UYCYLIODKJLPHV-BETUJISGSA-N 1 0 410.496 -0.096 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000427893869 1070752256 /nfs/dbraw/zinc/75/22/56/1070752256.db2.gz HQHQZWHIFBQOFO-HNNXBMFYSA-N 1 0 418.560 -0.468 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)C[C@H]2C1 ZINC000427898130 1069556030 /nfs/dbraw/zinc/55/60/30/1069556030.db2.gz SIALFPLMRNXYBL-GASCZTMLSA-N 1 0 403.487 -0.361 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)C[C@H]2C1 ZINC000427899858 1070750212 /nfs/dbraw/zinc/75/02/12/1070750212.db2.gz ZAHKAYFWEXBQGM-GASCZTMLSA-N 1 0 406.508 -0.037 20 0 HBADRO COCC[NH+]1CCC(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000427901053 1070750146 /nfs/dbraw/zinc/75/01/46/1070750146.db2.gz AONSPXMVWWCUPQ-UHFFFAOYSA-N 1 0 418.498 0.218 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NCCCC[NH+]3CCOCC3)nc2n(C)c1=O ZINC000427902920 1070750104 /nfs/dbraw/zinc/75/01/04/1070750104.db2.gz GXJRRMVXUCUNCP-UHFFFAOYSA-N 1 0 418.498 0.219 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1)N1CCOCC1 ZINC000427919114 1070752165 /nfs/dbraw/zinc/75/21/65/1070752165.db2.gz YGIUYMFBBLGLIG-KRWDZBQOSA-N 1 0 408.499 -0.841 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1)N1CCOCC1 ZINC000427919115 1070752281 /nfs/dbraw/zinc/75/22/81/1070752281.db2.gz YGIUYMFBBLGLIG-QGZVFWFLSA-N 1 0 408.499 -0.841 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)N3CC[NH+](CC4CC4)CC3)nc2n(C)c1=O ZINC000427920006 1070755277 /nfs/dbraw/zinc/75/52/77/1070755277.db2.gz AOXFQEBHFYUQCE-UHFFFAOYSA-N 1 0 400.483 0.545 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCc2nnn(C)n2)c1 ZINC000427923608 1070755796 /nfs/dbraw/zinc/75/57/96/1070755796.db2.gz NYINZQBJPSIARM-UHFFFAOYSA-N 1 0 402.459 -0.463 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000427928839 1070754634 /nfs/dbraw/zinc/75/46/34/1070754634.db2.gz MRYLRTZWBWWIPO-LBPRGKRZSA-N 1 0 413.500 -0.896 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCc1nnn(C)n1 ZINC000427934629 1070754783 /nfs/dbraw/zinc/75/47/83/1070754783.db2.gz VBXUEZYICLBZPT-UHFFFAOYSA-N 1 0 402.459 -0.385 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000428000892 1070762195 /nfs/dbraw/zinc/76/21/95/1070762195.db2.gz MRYLRTZWBWWIPO-GFCCVEGCSA-N 1 0 413.500 -0.896 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000428009335 1070763093 /nfs/dbraw/zinc/76/30/93/1070763093.db2.gz HQHQZWHIFBQOFO-OAHLLOKOSA-N 1 0 418.560 -0.468 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000428011062 1069606012 /nfs/dbraw/zinc/60/60/12/1069606012.db2.gz ODLOQQBZTHMJJW-AWEZNQCLSA-N 1 0 418.498 0.218 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000428011064 1069605855 /nfs/dbraw/zinc/60/58/55/1069605855.db2.gz ODLOQQBZTHMJJW-CQSZACIVSA-N 1 0 418.498 0.218 20 0 HBADRO C[C@@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000428017739 1070762582 /nfs/dbraw/zinc/76/25/82/1070762582.db2.gz OTXASULWGDAAQQ-AWEZNQCLSA-N 1 0 417.514 -0.257 20 0 HBADRO C[C@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000428017740 1070762464 /nfs/dbraw/zinc/76/24/64/1070762464.db2.gz OTXASULWGDAAQQ-CQSZACIVSA-N 1 0 417.514 -0.257 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000428020236 1070763192 /nfs/dbraw/zinc/76/31/92/1070763192.db2.gz BQKLSVCCUFNLOX-UHFFFAOYSA-N 1 0 410.544 -0.212 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000428026122 1070765519 /nfs/dbraw/zinc/76/55/19/1070765519.db2.gz XTIQSSXYDUOEGP-UHFFFAOYSA-N 1 0 410.544 -0.212 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000428029139 1070765566 /nfs/dbraw/zinc/76/55/66/1070765566.db2.gz XSZOBIFYXDHDHX-UHFFFAOYSA-N 1 0 424.571 -0.066 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NCC3([NH+](C)C)CCOCC3)nc2n(C)c1=O ZINC000428045638 1070767388 /nfs/dbraw/zinc/76/73/88/1070767388.db2.gz BLVINWDJCRWVFM-UHFFFAOYSA-N 1 0 418.498 0.218 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000428059600 1070766682 /nfs/dbraw/zinc/76/66/82/1070766682.db2.gz NQPVVCSZCYOJAF-CAOSSQGBSA-N 1 0 410.515 -0.108 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000428059604 1070766499 /nfs/dbraw/zinc/76/64/99/1070766499.db2.gz NQPVVCSZCYOJAF-JONQDZQNSA-N 1 0 410.515 -0.108 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000428059607 1070766605 /nfs/dbraw/zinc/76/66/05/1070766605.db2.gz NQPVVCSZCYOJAF-VGWMRTNUSA-N 1 0 410.515 -0.108 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000428059609 1070766542 /nfs/dbraw/zinc/76/65/42/1070766542.db2.gz NQPVVCSZCYOJAF-YHUYYLMFSA-N 1 0 410.515 -0.108 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000428139336 1070776599 /nfs/dbraw/zinc/77/65/99/1070776599.db2.gz KYOPTHGHFXFQQC-KBPBESRZSA-N 1 0 403.505 -0.108 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000428139337 1070776299 /nfs/dbraw/zinc/77/62/99/1070776299.db2.gz KYOPTHGHFXFQQC-OKILXGFUSA-N 1 0 403.505 -0.108 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000428139338 1070776447 /nfs/dbraw/zinc/77/64/47/1070776447.db2.gz KYOPTHGHFXFQQC-ZIAGYGMSSA-N 1 0 403.505 -0.108 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@H](CO)C2)CC1 ZINC000428172349 1070780584 /nfs/dbraw/zinc/78/05/84/1070780584.db2.gz YVTBYPTZTXRNIA-HNNXBMFYSA-N 1 0 404.467 -0.378 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000428172350 1070780632 /nfs/dbraw/zinc/78/06/32/1070780632.db2.gz YVTBYPTZTXRNIA-OAHLLOKOSA-N 1 0 404.467 -0.378 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000428223325 1070784323 /nfs/dbraw/zinc/78/43/23/1070784323.db2.gz WASCSGRKKIDWOS-UHFFFAOYSA-N 1 0 409.468 -0.090 20 0 HBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000428230545 1070786106 /nfs/dbraw/zinc/78/61/06/1070786106.db2.gz ZUMGDSIVPNDZTL-UHFFFAOYSA-N 1 0 423.495 -0.047 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000428279710 1071058775 /nfs/dbraw/zinc/05/87/75/1071058775.db2.gz XLQAVLSUPNLOAH-UHFFFAOYSA-N 1 0 415.516 -0.152 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000428282362 1071076814 /nfs/dbraw/zinc/07/68/14/1071076814.db2.gz WEACDNGQFNBURK-UHFFFAOYSA-N 1 0 403.505 -0.106 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428284967 1071089388 /nfs/dbraw/zinc/08/93/88/1071089388.db2.gz MXKYQMVCLVFJFI-HNNXBMFYSA-N 1 0 415.516 -0.152 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000428284969 1071089406 /nfs/dbraw/zinc/08/94/06/1071089406.db2.gz MXKYQMVCLVFJFI-OAHLLOKOSA-N 1 0 415.516 -0.152 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428290598 1071108858 /nfs/dbraw/zinc/10/88/58/1071108858.db2.gz NDWUGDZQEDMUAH-HNNXBMFYSA-N 1 0 403.505 -0.250 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428290599 1071109183 /nfs/dbraw/zinc/10/91/83/1071109183.db2.gz NDWUGDZQEDMUAH-OAHLLOKOSA-N 1 0 403.505 -0.250 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cn1C ZINC000428339084 1069654239 /nfs/dbraw/zinc/65/42/39/1069654239.db2.gz AZRGZKLANLORSH-UHFFFAOYSA-N 1 0 409.516 0.499 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000428394457 1071384496 /nfs/dbraw/zinc/38/44/96/1071384496.db2.gz VJQKRABNHIMAOA-UHFFFAOYSA-N 1 0 405.503 -0.279 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000428399597 1071398927 /nfs/dbraw/zinc/39/89/27/1071398927.db2.gz MBEIYVLJPYEMCP-INIZCTEOSA-N 1 0 422.507 -0.347 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000428399598 1071399145 /nfs/dbraw/zinc/39/91/45/1071399145.db2.gz MBEIYVLJPYEMCP-MRXNPFEDSA-N 1 0 422.507 -0.347 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)c2cccc(C(=O)N3CCN(C[C@H](C)O)CC3)c2)CC1 ZINC000428506216 1069154912 /nfs/dbraw/zinc/15/49/12/1069154912.db2.gz IOQGOTSUTQLXHH-ROUUACIJSA-N 1 0 418.538 -0.036 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000428517036 1069160508 /nfs/dbraw/zinc/16/05/08/1069160508.db2.gz UFIRGVXEXSLULN-HNNXBMFYSA-N 1 0 414.528 -0.596 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000428518082 1069160484 /nfs/dbraw/zinc/16/04/84/1069160484.db2.gz XVYWOVYDHOJCQM-ZDUSSCGKSA-N 1 0 402.542 -0.109 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C[C@H](C)O)CC3)CC2)c1 ZINC000428518925 1069160841 /nfs/dbraw/zinc/16/08/41/1069160841.db2.gz YYZNZDKEDXJWGB-SFHVURJKSA-N 1 0 424.567 -0.028 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)c2c(=O)n(C)c1=O ZINC000428522090 1069163136 /nfs/dbraw/zinc/16/31/36/1069163136.db2.gz AGGDJDPEJHRZKJ-HNNXBMFYSA-N 1 0 412.450 -0.361 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)c2c(=O)n(C)c1=O ZINC000428522093 1069162962 /nfs/dbraw/zinc/16/29/62/1069162962.db2.gz AGGDJDPEJHRZKJ-OAHLLOKOSA-N 1 0 412.450 -0.361 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c[nH]1 ZINC000428534855 1069168744 /nfs/dbraw/zinc/16/87/44/1069168744.db2.gz GQLIZQBIGCXCRC-AWEZNQCLSA-N 1 0 421.479 -0.403 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c[nH]1 ZINC000428534860 1069168807 /nfs/dbraw/zinc/16/88/07/1069168807.db2.gz GQLIZQBIGCXCRC-CQSZACIVSA-N 1 0 421.479 -0.403 20 0 HBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)o1 ZINC000428542394 1069178435 /nfs/dbraw/zinc/17/84/35/1069178435.db2.gz QWRGFNUUDUCYMF-AWEZNQCLSA-N 1 0 422.463 -0.138 20 0 HBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)o1 ZINC000428542395 1069178739 /nfs/dbraw/zinc/17/87/39/1069178739.db2.gz QWRGFNUUDUCYMF-CQSZACIVSA-N 1 0 422.463 -0.138 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000428556931 1069192526 /nfs/dbraw/zinc/19/25/26/1069192526.db2.gz HRHUAKREQAOIPK-UHFFFAOYSA-N 1 0 404.581 -0.323 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000428559760 1069196111 /nfs/dbraw/zinc/19/61/11/1069196111.db2.gz LVCZFQBHEKLYCR-UHFFFAOYSA-N 1 0 413.548 -0.535 20 0 HBADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000428564020 1069200911 /nfs/dbraw/zinc/20/09/11/1069200911.db2.gz WXRXAWVXJSRJHZ-UHFFFAOYSA-N 1 0 420.557 -0.371 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000428584972 1069313588 /nfs/dbraw/zinc/31/35/88/1069313588.db2.gz WVXIIVCSCJHZAV-UHFFFAOYSA-N 1 0 406.553 -0.939 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000428646961 1069319419 /nfs/dbraw/zinc/31/94/19/1069319419.db2.gz HCJSTTMEGWHKHK-AWEZNQCLSA-N 1 0 406.553 -0.939 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000428646962 1069319271 /nfs/dbraw/zinc/31/92/71/1069319271.db2.gz HCJSTTMEGWHKHK-CQSZACIVSA-N 1 0 406.553 -0.939 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000428688737 1069322796 /nfs/dbraw/zinc/32/27/96/1069322796.db2.gz APDCBUOKDFDLMQ-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000428704389 1069325310 /nfs/dbraw/zinc/32/53/10/1069325310.db2.gz XREDIRPJCFZICG-UHFFFAOYSA-N 1 0 413.548 -0.535 20 0 HBADRO CCN1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C(=O)C1=O ZINC000428704867 1069325392 /nfs/dbraw/zinc/32/53/92/1069325392.db2.gz CMJPFUHCHXESOV-NRFANRHFSA-N 1 0 402.495 -0.228 20 0 HBADRO CCN1CCN(CC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C(=O)C1=O ZINC000428704868 1069325500 /nfs/dbraw/zinc/32/55/00/1069325500.db2.gz CMJPFUHCHXESOV-OAQYLSRUSA-N 1 0 402.495 -0.228 20 0 HBADRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000428706357 1069326009 /nfs/dbraw/zinc/32/60/09/1069326009.db2.gz DCPRJTLKJGXCRD-XLIONFOSSA-N 1 0 424.542 -0.491 20 0 HBADRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000428721619 1070529033 /nfs/dbraw/zinc/52/90/33/1070529033.db2.gz UEDLRYNMESIALH-CVEARBPZSA-N 1 0 400.501 -0.012 20 0 HBADRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000428722731 1070725566 /nfs/dbraw/zinc/72/55/66/1070725566.db2.gz YAEVQTLUHUJPOO-WBVHZDCISA-N 1 0 419.544 -0.326 20 0 HBADRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000428726822 1069385596 /nfs/dbraw/zinc/38/55/96/1069385596.db2.gz WOXBYHXXHKGNKF-ZBFHGGJFSA-N 1 0 419.482 -0.276 20 0 HBADRO C[C@@]12CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C[C@@H]1C2(F)F ZINC000428732075 1069191091 /nfs/dbraw/zinc/19/10/91/1069191091.db2.gz STAWKFLNPNQEDW-MAUKXSAKSA-N 1 0 400.470 -0.034 20 0 HBADRO C[C@]12CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C[C@H]1C2(F)F ZINC000428732078 1069191123 /nfs/dbraw/zinc/19/11/23/1069191123.db2.gz STAWKFLNPNQEDW-QAPCUYQASA-N 1 0 400.470 -0.034 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000428748015 1069445932 /nfs/dbraw/zinc/44/59/32/1069445932.db2.gz LJHNIPDXFJGBER-UHFFFAOYSA-N 1 0 413.548 -0.535 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O ZINC000428760496 1071207689 /nfs/dbraw/zinc/20/76/89/1071207689.db2.gz SJPMNKOKGJRFGV-GOSISDBHSA-N 1 0 412.512 -0.433 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O ZINC000428760499 1071207938 /nfs/dbraw/zinc/20/79/38/1071207938.db2.gz SJPMNKOKGJRFGV-SFHVURJKSA-N 1 0 412.512 -0.433 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(N)=O ZINC000428784107 1071259869 /nfs/dbraw/zinc/25/98/69/1071259869.db2.gz XFKRHTMMYIVPAI-KRWDZBQOSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(N)=O ZINC000428784109 1071259978 /nfs/dbraw/zinc/25/99/78/1071259978.db2.gz XFKRHTMMYIVPAI-QGZVFWFLSA-N 1 0 400.476 -0.098 20 0 HBADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000428794782 1071300661 /nfs/dbraw/zinc/30/06/61/1071300661.db2.gz OPECFXCCFVWDOP-APWZRJJASA-N 1 0 413.522 -0.202 20 0 HBADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000428794783 1071301125 /nfs/dbraw/zinc/30/11/25/1071301125.db2.gz OPECFXCCFVWDOP-LPHOPBHVSA-N 1 0 413.522 -0.202 20 0 HBADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000428794784 1071301182 /nfs/dbraw/zinc/30/11/82/1071301182.db2.gz OPECFXCCFVWDOP-QFBILLFUSA-N 1 0 413.522 -0.202 20 0 HBADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000428794785 1071301254 /nfs/dbraw/zinc/30/12/54/1071301254.db2.gz OPECFXCCFVWDOP-VQIMIIECSA-N 1 0 413.522 -0.202 20 0 HBADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428799167 1071313144 /nfs/dbraw/zinc/31/31/44/1071313144.db2.gz VYIUHRACAZTDJC-CYBMUJFWSA-N 1 0 404.514 -0.372 20 0 HBADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428799168 1071313566 /nfs/dbraw/zinc/31/35/66/1071313566.db2.gz VYIUHRACAZTDJC-ZDUSSCGKSA-N 1 0 404.514 -0.372 20 0 HBADRO CC(CN(C)[C@H]1CCN(S(C)(=O)=O)C1)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801043 1071321380 /nfs/dbraw/zinc/32/13/80/1071321380.db2.gz HLSKXQCPUNEZBS-HOTGVXAUSA-N 1 0 410.606 -0.446 20 0 HBADRO CC(CN(C)[C@@H]1CCN(S(C)(=O)=O)C1)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428801044 1071321522 /nfs/dbraw/zinc/32/15/22/1071321522.db2.gz HLSKXQCPUNEZBS-HZPDHXFCSA-N 1 0 410.606 -0.446 20 0 HBADRO C[C@@H](CN(C)[C@@H]1CCN(S(C)(=O)=O)C1)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801045 1071321686 /nfs/dbraw/zinc/32/16/86/1071321686.db2.gz HLSKXQCPUNEZBS-MUJYYYPQSA-N 1 0 410.606 -0.446 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000428807442 1071354182 /nfs/dbraw/zinc/35/41/82/1071354182.db2.gz SAIGQJQGJZIBDU-INIZCTEOSA-N 1 0 405.503 -0.279 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000428807444 1071354602 /nfs/dbraw/zinc/35/46/02/1071354602.db2.gz SAIGQJQGJZIBDU-MRXNPFEDSA-N 1 0 405.503 -0.279 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC(=O)N2C)cnn1C ZINC000428811470 1071456605 /nfs/dbraw/zinc/45/66/05/1071456605.db2.gz ZYKXHQYMEYCUGV-INMHGKMJSA-N 1 0 405.503 -0.361 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC(=O)N2C)cnn1C ZINC000428811471 1071456886 /nfs/dbraw/zinc/45/68/86/1071456886.db2.gz ZYKXHQYMEYCUGV-VYDXJSESSA-N 1 0 405.503 -0.361 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428856232 1069356035 /nfs/dbraw/zinc/35/60/35/1069356035.db2.gz LRJWSZXCLOXCJT-CVEARBPZSA-N 1 0 401.519 -0.114 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428856233 1069355850 /nfs/dbraw/zinc/35/58/50/1069355850.db2.gz LRJWSZXCLOXCJT-HOTGVXAUSA-N 1 0 401.519 -0.114 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428856236 1069356169 /nfs/dbraw/zinc/35/61/69/1069356169.db2.gz LRJWSZXCLOXCJT-HZPDHXFCSA-N 1 0 401.519 -0.114 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428856238 1069355995 /nfs/dbraw/zinc/35/59/95/1069355995.db2.gz LRJWSZXCLOXCJT-JKSUJKDBSA-N 1 0 401.519 -0.114 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1)N1CCOCC1 ZINC000428860688 1069356681 /nfs/dbraw/zinc/35/66/81/1069356681.db2.gz HUTVOJOPELJOAN-INIZCTEOSA-N 1 0 406.487 -0.072 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cn1)N1CCOCC1 ZINC000428860689 1069356509 /nfs/dbraw/zinc/35/65/09/1069356509.db2.gz HUTVOJOPELJOAN-MRXNPFEDSA-N 1 0 406.487 -0.072 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1)N1CCOCC1 ZINC000428887344 1069365097 /nfs/dbraw/zinc/36/50/97/1069365097.db2.gz MRYVIVUTEIPYPM-INIZCTEOSA-N 1 0 406.487 -0.072 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1)N1CCOCC1 ZINC000428887347 1069578803 /nfs/dbraw/zinc/57/88/03/1069578803.db2.gz MRYVIVUTEIPYPM-MRXNPFEDSA-N 1 0 406.487 -0.072 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000428951009 1069376068 /nfs/dbraw/zinc/37/60/68/1069376068.db2.gz DOSKSIKUBBPJSY-UHFFFAOYSA-N 1 0 402.521 -0.346 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000428963387 1069377871 /nfs/dbraw/zinc/37/78/71/1069377871.db2.gz MIWUQRBELDZBMI-IBGZPJMESA-N 1 0 421.523 -0.206 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000428963388 1069377931 /nfs/dbraw/zinc/37/79/31/1069377931.db2.gz MIWUQRBELDZBMI-LJQANCHMSA-N 1 0 421.523 -0.206 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000428964563 1069377999 /nfs/dbraw/zinc/37/79/99/1069377999.db2.gz GZPQJWQQETXFCK-CVEARBPZSA-N 1 0 405.565 -0.114 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000428964564 1069378025 /nfs/dbraw/zinc/37/80/25/1069378025.db2.gz GZPQJWQQETXFCK-HOTGVXAUSA-N 1 0 405.565 -0.114 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000428964565 1069377809 /nfs/dbraw/zinc/37/78/09/1069377809.db2.gz GZPQJWQQETXFCK-HZPDHXFCSA-N 1 0 405.565 -0.114 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000428964966 1069378087 /nfs/dbraw/zinc/37/80/87/1069378087.db2.gz GZPQJWQQETXFCK-JKSUJKDBSA-N 1 0 405.565 -0.114 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000428980794 1069378687 /nfs/dbraw/zinc/37/86/87/1069378687.db2.gz OSLQUOMXPUIFNJ-FQEVSTJZSA-N 1 0 424.567 -0.341 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000428980798 1069378520 /nfs/dbraw/zinc/37/85/20/1069378520.db2.gz OSLQUOMXPUIFNJ-HXUWFJFHSA-N 1 0 424.567 -0.341 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000428981278 1069378720 /nfs/dbraw/zinc/37/87/20/1069378720.db2.gz YOTDDGKOLGPIJM-FQEVSTJZSA-N 1 0 402.451 -0.350 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000428981279 1069378500 /nfs/dbraw/zinc/37/85/00/1069378500.db2.gz YOTDDGKOLGPIJM-HXUWFJFHSA-N 1 0 402.451 -0.350 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000428982201 1069378651 /nfs/dbraw/zinc/37/86/51/1069378651.db2.gz ZKASDVCNYDFKPF-IBGZPJMESA-N 1 0 410.540 -0.003 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000428982203 1069378543 /nfs/dbraw/zinc/37/85/43/1069378543.db2.gz ZKASDVCNYDFKPF-LJQANCHMSA-N 1 0 410.540 -0.003 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000429014402 1069381556 /nfs/dbraw/zinc/38/15/56/1069381556.db2.gz YEHXTNYCMARPAN-KRWDZBQOSA-N 1 0 413.544 -0.115 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000429014403 1069382149 /nfs/dbraw/zinc/38/21/49/1069382149.db2.gz YEHXTNYCMARPAN-QGZVFWFLSA-N 1 0 413.544 -0.115 20 0 HBADRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)C1 ZINC000429021059 1069382755 /nfs/dbraw/zinc/38/27/55/1069382755.db2.gz NWQXEBHEKIJSDU-FCGDIQPGSA-N 1 0 412.600 -0.020 20 0 HBADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)C1 ZINC000429021060 1069382957 /nfs/dbraw/zinc/38/29/57/1069382957.db2.gz NWQXEBHEKIJSDU-HCXYKTFWSA-N 1 0 412.600 -0.020 20 0 HBADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)C1 ZINC000429021061 1069382783 /nfs/dbraw/zinc/38/27/83/1069382783.db2.gz NWQXEBHEKIJSDU-MKXGPGLRSA-N 1 0 412.600 -0.020 20 0 HBADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)C1 ZINC000429021162 1069382819 /nfs/dbraw/zinc/38/28/19/1069382819.db2.gz NWQXEBHEKIJSDU-NCXUSEDFSA-N 1 0 412.600 -0.020 20 0 HBADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)C1 ZINC000429045762 1069196844 /nfs/dbraw/zinc/19/68/44/1069196844.db2.gz WNRKJMLQSFYWNH-AABGKKOBSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)C1 ZINC000429045796 1069196976 /nfs/dbraw/zinc/19/69/76/1069196976.db2.gz WNRKJMLQSFYWNH-AQNXPRMDSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)C1 ZINC000429045798 1069196899 /nfs/dbraw/zinc/19/68/99/1069196899.db2.gz WNRKJMLQSFYWNH-HSALFYBXSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)C1 ZINC000429045800 1069196915 /nfs/dbraw/zinc/19/69/15/1069196915.db2.gz WNRKJMLQSFYWNH-VAMGGRTRSA-N 1 0 421.586 -0.349 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429062494 1069543332 /nfs/dbraw/zinc/54/33/32/1069543332.db2.gz HKLQIFOUPAVJMY-UHFFFAOYSA-N 1 0 403.443 -0.385 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000429099310 1069391608 /nfs/dbraw/zinc/39/16/08/1069391608.db2.gz QRRASWVLIZTALL-CYBMUJFWSA-N 1 0 402.455 -0.182 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000429099313 1069391769 /nfs/dbraw/zinc/39/17/69/1069391769.db2.gz QRRASWVLIZTALL-ZDUSSCGKSA-N 1 0 402.455 -0.182 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000429143394 1069401881 /nfs/dbraw/zinc/40/18/81/1069401881.db2.gz QQUJADIIVYNNTC-DLBZAZTESA-N 1 0 413.544 -0.247 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000429143395 1069402000 /nfs/dbraw/zinc/40/20/00/1069402000.db2.gz QQUJADIIVYNNTC-IAGOWNOFSA-N 1 0 413.544 -0.247 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000429143396 1069401897 /nfs/dbraw/zinc/40/18/97/1069401897.db2.gz QQUJADIIVYNNTC-IRXDYDNUSA-N 1 0 413.544 -0.247 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000429143397 1069401769 /nfs/dbraw/zinc/40/17/69/1069401769.db2.gz QQUJADIIVYNNTC-SJORKVTESA-N 1 0 413.544 -0.247 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000429144053 1069401916 /nfs/dbraw/zinc/40/19/16/1069401916.db2.gz SYQHLYGYXFCDAY-CVEARBPZSA-N 1 0 404.581 -0.514 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000429144054 1069401196 /nfs/dbraw/zinc/40/11/96/1069401196.db2.gz SYQHLYGYXFCDAY-HOTGVXAUSA-N 1 0 404.581 -0.514 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000429144055 1069401392 /nfs/dbraw/zinc/40/13/92/1069401392.db2.gz SYQHLYGYXFCDAY-HZPDHXFCSA-N 1 0 404.581 -0.514 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000429144056 1069401361 /nfs/dbraw/zinc/40/13/61/1069401361.db2.gz SYQHLYGYXFCDAY-JKSUJKDBSA-N 1 0 404.581 -0.514 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC000429146396 1069402048 /nfs/dbraw/zinc/40/20/48/1069402048.db2.gz ZOYMUKMRHUQVNL-WFASDCNBSA-N 1 0 400.501 -0.030 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000429151516 1069403259 /nfs/dbraw/zinc/40/32/59/1069403259.db2.gz NXMWPGHYZRKLJQ-INIZCTEOSA-N 1 0 404.581 -0.370 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000429151517 1069403202 /nfs/dbraw/zinc/40/32/02/1069403202.db2.gz NXMWPGHYZRKLJQ-MRXNPFEDSA-N 1 0 404.581 -0.370 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC2)c1 ZINC000429157890 1069410014 /nfs/dbraw/zinc/41/00/14/1069410014.db2.gz NYRQLOXDKDQLLY-UHFFFAOYSA-N 1 0 400.505 -0.246 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429166884 1069412479 /nfs/dbraw/zinc/41/24/79/1069412479.db2.gz XRDACQWOAGSQLZ-GOSISDBHSA-N 1 0 413.544 -0.245 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429166886 1069412681 /nfs/dbraw/zinc/41/26/81/1069412681.db2.gz XRDACQWOAGSQLZ-SFHVURJKSA-N 1 0 413.544 -0.245 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000429167498 1069411953 /nfs/dbraw/zinc/41/19/53/1069411953.db2.gz LVKBVCPHGXAJFR-SJPCQFCGSA-N 1 0 416.592 -0.229 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000429169819 1069414209 /nfs/dbraw/zinc/41/42/09/1069414209.db2.gz VLSSHNWLXRPBKV-HNNXBMFYSA-N 1 0 404.581 -0.371 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000429169820 1069414034 /nfs/dbraw/zinc/41/40/34/1069414034.db2.gz VLSSHNWLXRPBKV-OAHLLOKOSA-N 1 0 404.581 -0.371 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429179347 1069416788 /nfs/dbraw/zinc/41/67/88/1069416788.db2.gz GFKMAZNPUFPVMJ-UHFFFAOYSA-N 1 0 402.521 -0.581 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000429182667 1069418894 /nfs/dbraw/zinc/41/88/94/1069418894.db2.gz DAZHNOCYIKYXPA-UHFFFAOYSA-N 1 0 418.608 -0.122 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000429197066 1069425762 /nfs/dbraw/zinc/42/57/62/1069425762.db2.gz NEQGRNOHQIKVFK-UHFFFAOYSA-N 1 0 406.553 -0.986 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000429201618 1069427352 /nfs/dbraw/zinc/42/73/52/1069427352.db2.gz YKNIMFBZXNMXRE-UHFFFAOYSA-N 1 0 405.565 -0.037 20 0 HBADRO CC(C)[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCN(C)CC1 ZINC000429204267 1069427842 /nfs/dbraw/zinc/42/78/42/1069427842.db2.gz OLSKXYLUUTUDKR-INIZCTEOSA-N 1 0 416.548 -0.335 20 0 HBADRO CC(C)[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCN(C)CC1 ZINC000429204274 1069428633 /nfs/dbraw/zinc/42/86/33/1069428633.db2.gz OLSKXYLUUTUDKR-MRXNPFEDSA-N 1 0 416.548 -0.335 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)C2(CO)CCC2)CC1 ZINC000429229856 1069454909 /nfs/dbraw/zinc/45/49/09/1069454909.db2.gz JEBMSOMWRAQQEB-UHFFFAOYSA-N 1 0 400.501 -0.029 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1)N1CCOCC1 ZINC000429236263 1069212448 /nfs/dbraw/zinc/21/24/48/1069212448.db2.gz TXHVSYUYYWTGPC-IBGZPJMESA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1)N1CCOCC1 ZINC000429236267 1069212501 /nfs/dbraw/zinc/21/25/01/1069212501.db2.gz TXHVSYUYYWTGPC-LJQANCHMSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429265702 1069545622 /nfs/dbraw/zinc/54/56/22/1069545622.db2.gz UKJHLYLMRFMFLZ-CYBMUJFWSA-N 1 0 402.455 0.563 20 0 HBADRO O=C(CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429265703 1069545447 /nfs/dbraw/zinc/54/54/47/1069545447.db2.gz UKJHLYLMRFMFLZ-ZDUSSCGKSA-N 1 0 402.455 0.563 20 0 HBADRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000429296106 1069167714 /nfs/dbraw/zinc/16/77/14/1069167714.db2.gz QXCHMRUJRPTLTE-KRWDZBQOSA-N 1 0 402.495 -0.548 20 0 HBADRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000429296108 1069167933 /nfs/dbraw/zinc/16/79/33/1069167933.db2.gz QXCHMRUJRPTLTE-QGZVFWFLSA-N 1 0 402.495 -0.548 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429302740 1069571615 /nfs/dbraw/zinc/57/16/15/1069571615.db2.gz BHYZSJWHRSHKNP-HNNXBMFYSA-N 1 0 403.505 -0.154 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429302741 1069571466 /nfs/dbraw/zinc/57/14/66/1069571466.db2.gz BHYZSJWHRSHKNP-OAHLLOKOSA-N 1 0 403.505 -0.154 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000429305323 1069572532 /nfs/dbraw/zinc/57/25/32/1069572532.db2.gz LPXGZSIOOZHTAU-CABCVRRESA-N 1 0 411.503 -0.608 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000429305330 1069572517 /nfs/dbraw/zinc/57/25/17/1069572517.db2.gz LPXGZSIOOZHTAU-GJZGRUSLSA-N 1 0 411.503 -0.608 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000429305335 1069572484 /nfs/dbraw/zinc/57/24/84/1069572484.db2.gz LPXGZSIOOZHTAU-HUUCEWRRSA-N 1 0 411.503 -0.608 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000429305339 1069572549 /nfs/dbraw/zinc/57/25/49/1069572549.db2.gz LPXGZSIOOZHTAU-LSDHHAIUSA-N 1 0 411.503 -0.608 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000429308480 1069574888 /nfs/dbraw/zinc/57/48/88/1069574888.db2.gz RDGATPSWHIRZEP-AWEZNQCLSA-N 1 0 415.516 -0.011 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000429308481 1069575110 /nfs/dbraw/zinc/57/51/10/1069575110.db2.gz RDGATPSWHIRZEP-CQSZACIVSA-N 1 0 415.516 -0.011 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429316355 1069579741 /nfs/dbraw/zinc/57/97/41/1069579741.db2.gz IKBRVOWOWAIDIC-HNNXBMFYSA-N 1 0 403.505 -0.514 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429316358 1069580439 /nfs/dbraw/zinc/58/04/39/1069580439.db2.gz IKBRVOWOWAIDIC-OAHLLOKOSA-N 1 0 403.505 -0.514 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429318722 1069581602 /nfs/dbraw/zinc/58/16/02/1069581602.db2.gz ORVLGHVJJHSATK-FQEVSTJZSA-N 1 0 415.498 0.467 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429318725 1069581570 /nfs/dbraw/zinc/58/15/70/1069581570.db2.gz ORVLGHVJJHSATK-HXUWFJFHSA-N 1 0 415.498 0.467 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429325513 1069587935 /nfs/dbraw/zinc/58/79/35/1069587935.db2.gz GKVDXECRNKYEEL-AWEZNQCLSA-N 1 0 401.489 -0.542 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429325515 1069587690 /nfs/dbraw/zinc/58/76/90/1069587690.db2.gz GKVDXECRNKYEEL-CQSZACIVSA-N 1 0 401.489 -0.542 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000429332486 1069591470 /nfs/dbraw/zinc/59/14/70/1069591470.db2.gz XKNHPDKANSRAKQ-UHFFFAOYSA-N 1 0 415.516 -0.152 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429333851 1069591519 /nfs/dbraw/zinc/59/15/19/1069591519.db2.gz VMONVULMGPZXPX-HNNXBMFYSA-N 1 0 416.548 -0.333 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429333854 1069591434 /nfs/dbraw/zinc/59/14/34/1069591434.db2.gz VMONVULMGPZXPX-OAHLLOKOSA-N 1 0 416.548 -0.333 20 0 HBADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000429338090 1069597161 /nfs/dbraw/zinc/59/71/61/1069597161.db2.gz WNTLBKXFWBKJLA-BNQMIIOLSA-N 1 0 404.529 -0.442 20 0 HBADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000429338095 1069597770 /nfs/dbraw/zinc/59/77/70/1069597770.db2.gz WNTLBKXFWBKJLA-GARNVTTQSA-N 1 0 404.529 -0.442 20 0 HBADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000429338097 1069597748 /nfs/dbraw/zinc/59/77/48/1069597748.db2.gz WNTLBKXFWBKJLA-LPMVOBIJSA-N 1 0 404.529 -0.442 20 0 HBADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000429338098 1069597776 /nfs/dbraw/zinc/59/77/76/1069597776.db2.gz WNTLBKXFWBKJLA-NDUQDZPOSA-N 1 0 404.529 -0.442 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429360369 1069565968 /nfs/dbraw/zinc/56/59/68/1069565968.db2.gz HDWSJSQYVFMSHA-GFCCVEGCSA-N 1 0 403.443 -0.162 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429360370 1069612570 /nfs/dbraw/zinc/61/25/70/1069612570.db2.gz HDWSJSQYVFMSHA-LBPRGKRZSA-N 1 0 403.443 -0.162 20 0 HBADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429361039 1069224986 /nfs/dbraw/zinc/22/49/86/1069224986.db2.gz JAJHHAAMCCUPOD-IBGZPJMESA-N 1 0 421.586 -0.204 20 0 HBADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429361044 1069225027 /nfs/dbraw/zinc/22/50/27/1069225027.db2.gz JAJHHAAMCCUPOD-LJQANCHMSA-N 1 0 421.586 -0.204 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429414735 1069645423 /nfs/dbraw/zinc/64/54/23/1069645423.db2.gz YSCDCXMDJGDOKZ-GFCCVEGCSA-N 1 0 417.470 0.086 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429414736 1069645482 /nfs/dbraw/zinc/64/54/82/1069645482.db2.gz YSCDCXMDJGDOKZ-LBPRGKRZSA-N 1 0 417.470 0.086 20 0 HBADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000429425942 1069652807 /nfs/dbraw/zinc/65/28/07/1069652807.db2.gz FNPNSZQPLOFCER-AWEZNQCLSA-N 1 0 406.549 -0.011 20 0 HBADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000429425943 1069652615 /nfs/dbraw/zinc/65/26/15/1069652615.db2.gz FNPNSZQPLOFCER-CQSZACIVSA-N 1 0 406.549 -0.011 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000429435872 1069657972 /nfs/dbraw/zinc/65/79/72/1069657972.db2.gz JWLIFMNOTAPHHC-UHFFFAOYSA-N 1 0 422.577 -0.398 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000429445332 1069664171 /nfs/dbraw/zinc/66/41/71/1069664171.db2.gz CYCBOBODHPIAMG-AWEZNQCLSA-N 1 0 423.539 -0.764 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000429445338 1069664191 /nfs/dbraw/zinc/66/41/91/1069664191.db2.gz CYCBOBODHPIAMG-CQSZACIVSA-N 1 0 423.539 -0.764 20 0 HBADRO CCc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000429451471 1069670851 /nfs/dbraw/zinc/67/08/51/1069670851.db2.gz LSXQSMIZBNGGHQ-CYBMUJFWSA-N 1 0 411.528 -0.413 20 0 HBADRO CCc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000429451473 1069670627 /nfs/dbraw/zinc/67/06/27/1069670627.db2.gz LSXQSMIZBNGGHQ-ZDUSSCGKSA-N 1 0 411.528 -0.413 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC000429451858 1069670775 /nfs/dbraw/zinc/67/07/75/1069670775.db2.gz MKQOIVVIJZPXEC-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC000429451860 1069670791 /nfs/dbraw/zinc/67/07/91/1069670791.db2.gz MKQOIVVIJZPXEC-CQSZACIVSA-N 1 0 411.528 -0.373 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000429452918 1069667752 /nfs/dbraw/zinc/66/77/52/1069667752.db2.gz MESGVBRPRUQNOQ-PBHICJAKSA-N 1 0 403.483 -0.721 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000429452922 1069668688 /nfs/dbraw/zinc/66/86/88/1069668688.db2.gz MESGVBRPRUQNOQ-RHSMWYFYSA-N 1 0 403.483 -0.721 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000429452927 1069672233 /nfs/dbraw/zinc/67/22/33/1069672233.db2.gz MESGVBRPRUQNOQ-WMLDXEAASA-N 1 0 403.483 -0.721 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000429452933 1069672257 /nfs/dbraw/zinc/67/22/57/1069672257.db2.gz MESGVBRPRUQNOQ-YOEHRIQHSA-N 1 0 403.483 -0.721 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCS(N)(=O)=O ZINC000429466109 1069684419 /nfs/dbraw/zinc/68/44/19/1069684419.db2.gz DTIXFYUPDYZITF-UHFFFAOYSA-N 1 0 413.500 -0.820 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1C ZINC000429467310 1069685305 /nfs/dbraw/zinc/68/53/05/1069685305.db2.gz JJULMSSJYMSFQR-AWEZNQCLSA-N 1 0 411.528 -0.406 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1C ZINC000429467315 1069685436 /nfs/dbraw/zinc/68/54/36/1069685436.db2.gz JJULMSSJYMSFQR-CQSZACIVSA-N 1 0 411.528 -0.406 20 0 HBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCS(N)(=O)=O)CC1 ZINC000429470311 1069686914 /nfs/dbraw/zinc/68/69/14/1069686914.db2.gz FBMJQIDGGGSNMG-UHFFFAOYSA-N 1 0 417.919 -0.175 20 0 HBADRO NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000429470606 1069687051 /nfs/dbraw/zinc/68/70/51/1069687051.db2.gz POIPWENARVNGNP-UHFFFAOYSA-N 1 0 400.526 -0.379 20 0 HBADRO NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000429471643 1069687871 /nfs/dbraw/zinc/68/78/71/1069687871.db2.gz RJXUJCBAWYMGCE-UHFFFAOYSA-N 1 0 409.512 -0.438 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429477695 1069691249 /nfs/dbraw/zinc/69/12/49/1069691249.db2.gz QFUBEGXHECGKKF-AWEZNQCLSA-N 1 0 411.528 -0.406 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429477696 1069691184 /nfs/dbraw/zinc/69/11/84/1069691184.db2.gz QFUBEGXHECGKKF-CQSZACIVSA-N 1 0 411.528 -0.406 20 0 HBADRO C[N@H+](CCCNC(=O)C1CCC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000429530845 1069172694 /nfs/dbraw/zinc/17/26/94/1069172694.db2.gz QOIJKLINGNIZLW-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO CN1CCN(C(=O)CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000429672364 1070665000 /nfs/dbraw/zinc/66/50/00/1070665000.db2.gz DDJBVYUQYLWFAR-UHFFFAOYSA-N 1 0 403.531 -0.401 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429702683 1071544886 /nfs/dbraw/zinc/54/48/86/1071544886.db2.gz LTPKBRSOWOYVPU-KBPBESRZSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429702688 1071544992 /nfs/dbraw/zinc/54/49/92/1071544992.db2.gz LTPKBRSOWOYVPU-KGLIPLIRSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429702692 1071544945 /nfs/dbraw/zinc/54/49/45/1071544945.db2.gz LTPKBRSOWOYVPU-UONOGXRCSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429703277 1071545008 /nfs/dbraw/zinc/54/50/08/1071545008.db2.gz LTPKBRSOWOYVPU-ZIAGYGMSSA-N 1 0 404.514 -0.278 20 0 HBADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000429708972 1071545508 /nfs/dbraw/zinc/54/55/08/1071545508.db2.gz MHOFRMVVWRYHAW-ARFHVFGLSA-N 1 0 410.544 -0.036 20 0 HBADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000429708974 1071545335 /nfs/dbraw/zinc/54/53/35/1071545335.db2.gz MHOFRMVVWRYHAW-HRCADAONSA-N 1 0 410.544 -0.036 20 0 HBADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000429708976 1071545618 /nfs/dbraw/zinc/54/56/18/1071545618.db2.gz MHOFRMVVWRYHAW-JYJNAYRXSA-N 1 0 410.544 -0.036 20 0 HBADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000429708977 1071545451 /nfs/dbraw/zinc/54/54/51/1071545451.db2.gz MHOFRMVVWRYHAW-XHSDSOJGSA-N 1 0 410.544 -0.036 20 0 HBADRO CCOC(=O)c1ncn(C2CC[NH+](CC(=O)N3CCN(C(C)=O)CC3)CC2)c1N ZINC000429722519 1068992528 /nfs/dbraw/zinc/99/25/28/1068992528.db2.gz IQRSONDGJKFHJV-UHFFFAOYSA-N 1 0 406.487 -0.030 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429726512 1068993519 /nfs/dbraw/zinc/99/35/19/1068993519.db2.gz VEQIELHPCGDOCQ-KBPBESRZSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429726513 1068993345 /nfs/dbraw/zinc/99/33/45/1068993345.db2.gz VEQIELHPCGDOCQ-KGLIPLIRSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429726514 1068993407 /nfs/dbraw/zinc/99/34/07/1068993407.db2.gz VEQIELHPCGDOCQ-UONOGXRCSA-N 1 0 404.514 -0.278 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429726515 1068993497 /nfs/dbraw/zinc/99/34/97/1068993497.db2.gz VEQIELHPCGDOCQ-ZIAGYGMSSA-N 1 0 404.514 -0.278 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000429767152 1069325279 /nfs/dbraw/zinc/32/52/79/1069325279.db2.gz NRHJBJCUJVDRNK-UHFFFAOYSA-N 1 0 400.505 -0.199 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429772387 1071224929 /nfs/dbraw/zinc/22/49/29/1071224929.db2.gz XJEGXUJYXUSAHG-FPCVCCKLSA-N 1 0 401.529 -0.315 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429772388 1071224654 /nfs/dbraw/zinc/22/46/54/1071224654.db2.gz XJEGXUJYXUSAHG-JJXSEGSLSA-N 1 0 401.529 -0.315 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429772389 1071224850 /nfs/dbraw/zinc/22/48/50/1071224850.db2.gz XJEGXUJYXUSAHG-JONQDZQNSA-N 1 0 401.529 -0.315 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429772390 1071224819 /nfs/dbraw/zinc/22/48/19/1071224819.db2.gz XJEGXUJYXUSAHG-QXSJWSMHSA-N 1 0 401.529 -0.315 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)S(N)(=O)=O ZINC000429777459 1071225753 /nfs/dbraw/zinc/22/57/53/1071225753.db2.gz YAESIJYXWULFCI-GDBMZVCRSA-N 1 0 412.512 -0.813 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)S(N)(=O)=O ZINC000429777460 1071225563 /nfs/dbraw/zinc/22/55/63/1071225563.db2.gz YAESIJYXWULFCI-GOEBONIOSA-N 1 0 412.512 -0.813 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)S(N)(=O)=O ZINC000429777462 1071225693 /nfs/dbraw/zinc/22/56/93/1071225693.db2.gz YAESIJYXWULFCI-HOCLYGCPSA-N 1 0 412.512 -0.813 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)S(N)(=O)=O ZINC000429777464 1071225357 /nfs/dbraw/zinc/22/53/57/1071225357.db2.gz YAESIJYXWULFCI-ZBFHGGJFSA-N 1 0 412.512 -0.813 20 0 HBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000429779611 1071225424 /nfs/dbraw/zinc/22/54/24/1071225424.db2.gz AXVDFHIHRBGYCL-UHFFFAOYSA-N 1 0 408.503 -0.273 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429786503 1071226508 /nfs/dbraw/zinc/22/65/08/1071226508.db2.gz NESKIZOELZCYQJ-KRWDZBQOSA-N 1 0 414.466 -0.286 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429786514 1071226387 /nfs/dbraw/zinc/22/63/87/1071226387.db2.gz NESKIZOELZCYQJ-QGZVFWFLSA-N 1 0 414.466 -0.286 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cn2)C[C@H](C)O1 ZINC000429792396 1071224593 /nfs/dbraw/zinc/22/45/93/1071224593.db2.gz KJJSLECGEODLNM-GASCZTMLSA-N 1 0 406.487 -0.379 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cn2)C[C@H](C)O1 ZINC000429792397 1071224896 /nfs/dbraw/zinc/22/48/96/1071224896.db2.gz KJJSLECGEODLNM-GJZGRUSLSA-N 1 0 406.487 -0.379 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cn2)C[C@@H](C)O1 ZINC000429792398 1071224777 /nfs/dbraw/zinc/22/47/77/1071224777.db2.gz KJJSLECGEODLNM-HUUCEWRRSA-N 1 0 406.487 -0.379 20 0 HBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000429797112 1069563070 /nfs/dbraw/zinc/56/30/70/1069563070.db2.gz SSWXJDFFKHBDMR-UHFFFAOYSA-N 1 0 408.503 -0.273 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000429797280 1071965650 /nfs/dbraw/zinc/96/56/50/1071965650.db2.gz AIWBKOORSKMJQP-UHFFFAOYSA-N 1 0 423.539 -0.275 20 0 HBADRO C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000429798075 1069345304 /nfs/dbraw/zinc/34/53/04/1069345304.db2.gz FDHSWTLSAZHRFV-GOSISDBHSA-N 1 0 416.478 -0.197 20 0 HBADRO C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000429798077 1069345201 /nfs/dbraw/zinc/34/52/01/1069345201.db2.gz FDHSWTLSAZHRFV-SFHVURJKSA-N 1 0 416.478 -0.197 20 0 HBADRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCCC1 ZINC000429805029 1069283817 /nfs/dbraw/zinc/28/38/17/1069283817.db2.gz HUBYHIGDSIMONN-UHFFFAOYSA-N 1 0 420.514 0.013 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@@H](C)C1 ZINC000429807239 1069283850 /nfs/dbraw/zinc/28/38/50/1069283850.db2.gz YFMWHTBZJXWJRR-BZSNNMDCSA-N 1 0 400.589 -0.020 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@H](C)C1 ZINC000429807240 1069283954 /nfs/dbraw/zinc/28/39/54/1069283954.db2.gz YFMWHTBZJXWJRR-KSZLIROESA-N 1 0 400.589 -0.020 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@H](C)C1 ZINC000429807241 1069284150 /nfs/dbraw/zinc/28/41/50/1069284150.db2.gz YFMWHTBZJXWJRR-KURKYZTESA-N 1 0 400.589 -0.020 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@H](C)C1 ZINC000429807242 1069284061 /nfs/dbraw/zinc/28/40/61/1069284061.db2.gz YFMWHTBZJXWJRR-SQNIBIBYSA-N 1 0 400.589 -0.020 20 0 HBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000429807601 1069290912 /nfs/dbraw/zinc/29/09/12/1069290912.db2.gz VIDVESVJXFALGB-UHFFFAOYSA-N 1 0 404.471 -0.383 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000429814774 1069319981 /nfs/dbraw/zinc/31/99/81/1069319981.db2.gz NOLIMYFSMRYZRI-UHFFFAOYSA-N 1 0 423.539 -0.275 20 0 HBADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000429818883 1069322841 /nfs/dbraw/zinc/32/28/41/1069322841.db2.gz RPUVSIMOHYLBIP-UHFFFAOYSA-N 1 0 410.496 -0.190 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N(CC[NH+](C)C)C3CCCC3)cnc2n(C)c1=O ZINC000429819407 1069327814 /nfs/dbraw/zinc/32/78/14/1069327814.db2.gz KNAVTCXDUKKUSP-UHFFFAOYSA-N 1 0 416.482 -0.097 20 0 HBADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000429821012 1069327923 /nfs/dbraw/zinc/32/79/23/1069327923.db2.gz MQIJVMKNZGSDEU-UHFFFAOYSA-N 1 0 417.510 -0.149 20 0 HBADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000429821209 1069327672 /nfs/dbraw/zinc/32/76/72/1069327672.db2.gz ZYQANSYQPAGJGC-UHFFFAOYSA-N 1 0 410.496 -0.190 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000429839699 1069548841 /nfs/dbraw/zinc/54/88/41/1069548841.db2.gz MIHHERBEEYFPED-HNNXBMFYSA-N 1 0 406.487 -0.377 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000429839700 1069388589 /nfs/dbraw/zinc/38/85/89/1069388589.db2.gz MIHHERBEEYFPED-OAHLLOKOSA-N 1 0 406.487 -0.377 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C)OCC(=O)N2 ZINC000429850119 1069404958 /nfs/dbraw/zinc/40/49/58/1069404958.db2.gz VQQPHFQVYZWQEE-UHFFFAOYSA-N 1 0 417.484 -0.413 20 0 HBADRO Cn1ncc(I)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000429860788 1069414126 /nfs/dbraw/zinc/41/41/26/1069414126.db2.gz VAVQKXFKNMZITL-UHFFFAOYSA-N 1 0 405.240 -0.129 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1)OCC(=O)N2 ZINC000429862928 1069413259 /nfs/dbraw/zinc/41/32/59/1069413259.db2.gz BLNSVSFASNZJEI-UHFFFAOYSA-N 1 0 412.468 -0.579 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cnc2n(C)c1=O ZINC000429879140 1069427168 /nfs/dbraw/zinc/42/71/68/1069427168.db2.gz JDSHYTXZBHSRBB-CYBMUJFWSA-N 1 0 402.455 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)CC3)cnc2n(C)c1=O ZINC000429879141 1069426961 /nfs/dbraw/zinc/42/69/61/1069426961.db2.gz JDSHYTXZBHSRBB-ZDUSSCGKSA-N 1 0 402.455 -0.487 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000429889857 1069428544 /nfs/dbraw/zinc/42/85/44/1069428544.db2.gz VMQQRKLXQPVSFQ-INIZCTEOSA-N 1 0 419.530 0.562 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000429889859 1069428385 /nfs/dbraw/zinc/42/83/85/1069428385.db2.gz VMQQRKLXQPVSFQ-MRXNPFEDSA-N 1 0 419.530 0.562 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000429891728 1069428674 /nfs/dbraw/zinc/42/86/74/1069428674.db2.gz ZPEDVPPVIUVPGN-INIZCTEOSA-N 1 0 406.487 -0.377 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000429891730 1069429089 /nfs/dbraw/zinc/42/90/89/1069429089.db2.gz ZPEDVPPVIUVPGN-MRXNPFEDSA-N 1 0 406.487 -0.377 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000429900181 1069432068 /nfs/dbraw/zinc/43/20/68/1069432068.db2.gz RKNJPPRPAALDKC-UHFFFAOYSA-N 1 0 405.503 0.173 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000429925370 1069437739 /nfs/dbraw/zinc/43/77/39/1069437739.db2.gz LGGNNWWAAPZEEB-UHFFFAOYSA-N 1 0 415.516 -0.486 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000429933064 1069442894 /nfs/dbraw/zinc/44/28/94/1069442894.db2.gz ZLNZETZDEPDTPO-UHFFFAOYSA-N 1 0 402.499 -0.038 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000429940090 1069444107 /nfs/dbraw/zinc/44/41/07/1069444107.db2.gz BHHVWSCCZMEDQY-UHFFFAOYSA-N 1 0 415.516 -0.486 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000430012999 1069506138 /nfs/dbraw/zinc/50/61/38/1069506138.db2.gz STGANDXGYCGTKC-KRWDZBQOSA-N 1 0 406.483 -0.396 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000430013000 1069506024 /nfs/dbraw/zinc/50/60/24/1069506024.db2.gz STGANDXGYCGTKC-QGZVFWFLSA-N 1 0 406.483 -0.396 20 0 HBADRO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000430060163 1069663630 /nfs/dbraw/zinc/66/36/30/1069663630.db2.gz SCKULMCRRAQRKW-AWEZNQCLSA-N 1 0 414.470 -0.326 20 0 HBADRO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000430060167 1069663704 /nfs/dbraw/zinc/66/37/04/1069663704.db2.gz SCKULMCRRAQRKW-CQSZACIVSA-N 1 0 414.470 -0.326 20 0 HBADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn(CCO)c(=O)[nH]c1=O ZINC000430104818 1069818477 /nfs/dbraw/zinc/81/84/77/1069818477.db2.gz MUFRPEFBHZAMEL-INIZCTEOSA-N 1 0 402.451 -0.038 20 0 HBADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn(CCO)c(=O)[nH]c1=O ZINC000430104820 1069818549 /nfs/dbraw/zinc/81/85/49/1069818549.db2.gz MUFRPEFBHZAMEL-MRXNPFEDSA-N 1 0 402.451 -0.038 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000430109183 1069820845 /nfs/dbraw/zinc/82/08/45/1069820845.db2.gz YANKXNYPJHXNGR-IBGZPJMESA-N 1 0 424.567 -0.029 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000430109184 1069820759 /nfs/dbraw/zinc/82/07/59/1069820759.db2.gz YANKXNYPJHXNGR-LJQANCHMSA-N 1 0 424.567 -0.029 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000430115347 1069820966 /nfs/dbraw/zinc/82/09/66/1069820966.db2.gz VHIMDYWEARIIHS-UHFFFAOYSA-N 1 0 417.576 -0.196 20 0 HBADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430252863 1068260513 /nfs/dbraw/zinc/26/05/13/1068260513.db2.gz CRULGMVPISBGMS-IBGZPJMESA-N 1 0 400.487 -0.530 20 0 HBADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430252864 1068260322 /nfs/dbraw/zinc/26/03/22/1068260322.db2.gz CRULGMVPISBGMS-LJQANCHMSA-N 1 0 400.487 -0.530 20 0 HBADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430263334 1068263098 /nfs/dbraw/zinc/26/30/98/1068263098.db2.gz ZZRHMXRQNXRUNB-IBGZPJMESA-N 1 0 408.524 -0.023 20 0 HBADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430263335 1068263288 /nfs/dbraw/zinc/26/32/88/1068263288.db2.gz ZZRHMXRQNXRUNB-LJQANCHMSA-N 1 0 408.524 -0.023 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000430385586 1068301865 /nfs/dbraw/zinc/30/18/65/1068301865.db2.gz NRIIUHHXIZXWFB-UHFFFAOYSA-N 1 0 413.563 -0.345 20 0 HBADRO Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n(C2CC[NH+](C)CC2)n1 ZINC000430476883 1068367593 /nfs/dbraw/zinc/36/75/93/1068367593.db2.gz JYOJYIYMVJGHQR-UHFFFAOYSA-N 1 0 414.470 -0.156 20 0 HBADRO Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(C2CC[NH+](C)CC2)n1 ZINC000430497763 1068416769 /nfs/dbraw/zinc/41/67/69/1068416769.db2.gz JZPDZNJWWICQKX-UHFFFAOYSA-N 1 0 414.470 -0.156 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430498014 1068416792 /nfs/dbraw/zinc/41/67/92/1068416792.db2.gz ITXUQDUBOZZEKX-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)NC(C)C)CC1=O ZINC000430511700 1068428782 /nfs/dbraw/zinc/42/87/82/1068428782.db2.gz XETPETPZMZSLLX-CABCVRRESA-N 1 0 403.549 -0.732 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)CC1=O ZINC000430511701 1068428873 /nfs/dbraw/zinc/42/88/73/1068428873.db2.gz XETPETPZMZSLLX-GJZGRUSLSA-N 1 0 403.549 -0.732 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)NC(C)C)CC1=O ZINC000430511702 1068428943 /nfs/dbraw/zinc/42/89/43/1068428943.db2.gz XETPETPZMZSLLX-HUUCEWRRSA-N 1 0 403.549 -0.732 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)CC1=O ZINC000430511703 1068428853 /nfs/dbraw/zinc/42/88/53/1068428853.db2.gz XETPETPZMZSLLX-LSDHHAIUSA-N 1 0 403.549 -0.732 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)CC1)N1CCOCC1 ZINC000430823853 1069247759 /nfs/dbraw/zinc/24/77/59/1069247759.db2.gz PBKCPXQUHDTJKA-UHFFFAOYSA-N 1 0 404.515 -0.408 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(n3ccnc3)CC2)CC1)N1CCOCC1 ZINC000430828819 1069247876 /nfs/dbraw/zinc/24/78/76/1069247876.db2.gz CJLAPAMQYXHCIX-UHFFFAOYSA-N 1 0 404.515 -0.477 20 0 HBADRO CCN1CCN(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C(=O)C1=O ZINC000430879303 1068556657 /nfs/dbraw/zinc/55/66/57/1068556657.db2.gz NNEUEIQNPZAMOA-UHFFFAOYSA-N 1 0 409.531 -0.580 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000430885128 1068556765 /nfs/dbraw/zinc/55/67/65/1068556765.db2.gz KDSBSJWUJLBUBI-UHFFFAOYSA-N 1 0 407.519 -0.277 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000430886964 1068556796 /nfs/dbraw/zinc/55/67/96/1068556796.db2.gz BQTHCLWXVLJDSZ-UHFFFAOYSA-N 1 0 417.576 -0.355 20 0 HBADRO Cn1ncc2c1ncn(CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c2=O ZINC000430896020 1068558203 /nfs/dbraw/zinc/55/82/03/1068558203.db2.gz FUNRQLXXXKYBRG-UHFFFAOYSA-N 1 0 417.514 -0.127 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000430900495 1068558547 /nfs/dbraw/zinc/55/85/47/1068558547.db2.gz PUNWCLVTVCUJKC-UHFFFAOYSA-N 1 0 402.561 -0.540 20 0 HBADRO COCCn1c(N)c(C(=O)CN(C)CC[N@H+](C)C2CCN(C)CC2)c(=O)[nH]c1=O ZINC000430994627 1068567628 /nfs/dbraw/zinc/56/76/28/1068567628.db2.gz XQPWMWMQJGDXPO-UHFFFAOYSA-N 1 0 410.519 -0.682 20 0 HBADRO CN(CC[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000430996975 1068567514 /nfs/dbraw/zinc/56/75/14/1068567514.db2.gz SYAFMAAZRSCTKO-UHFFFAOYSA-N 1 0 405.547 -0.218 20 0 HBADRO COCCCS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000431124390 1068575554 /nfs/dbraw/zinc/57/55/54/1068575554.db2.gz GJHNHRIQMTWLOV-UHFFFAOYSA-N 1 0 402.561 -0.287 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431199145 1068588056 /nfs/dbraw/zinc/58/80/56/1068588056.db2.gz RIEDFVXDDIKGIP-HNNXBMFYSA-N 1 0 405.499 -0.930 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431199146 1068588134 /nfs/dbraw/zinc/58/81/34/1068588134.db2.gz RIEDFVXDDIKGIP-OAHLLOKOSA-N 1 0 405.499 -0.930 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000431199595 1068587647 /nfs/dbraw/zinc/58/76/47/1068587647.db2.gz XVENREOIOUPHDT-UHFFFAOYSA-N 1 0 422.534 0.115 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1C1CC[NH+](C)CC1 ZINC000431202049 1068587397 /nfs/dbraw/zinc/58/73/97/1068587397.db2.gz HGAOOCPBCGNMDM-DOTOQJQBSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1C1CC[NH+](C)CC1 ZINC000431202055 1068587682 /nfs/dbraw/zinc/58/76/82/1068587682.db2.gz HGAOOCPBCGNMDM-NVXWUHKLSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1C1CC[NH+](C)CC1 ZINC000431202057 1068587467 /nfs/dbraw/zinc/58/74/67/1068587467.db2.gz HGAOOCPBCGNMDM-RDJZCZTQSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1C1CC[NH+](C)CC1 ZINC000431202059 1068587481 /nfs/dbraw/zinc/58/74/81/1068587481.db2.gz HGAOOCPBCGNMDM-WBVHZDCISA-N 1 0 405.543 -0.069 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431204938 1068588537 /nfs/dbraw/zinc/58/85/37/1068588537.db2.gz WEWHAIIUFGGDLO-DLBZAZTESA-N 1 0 405.543 -0.068 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431204941 1068588776 /nfs/dbraw/zinc/58/87/76/1068588776.db2.gz WEWHAIIUFGGDLO-IAGOWNOFSA-N 1 0 405.543 -0.068 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431204943 1068588825 /nfs/dbraw/zinc/58/88/25/1068588825.db2.gz WEWHAIIUFGGDLO-IRXDYDNUSA-N 1 0 405.543 -0.068 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431204945 1068588467 /nfs/dbraw/zinc/58/84/67/1068588467.db2.gz WEWHAIIUFGGDLO-SJORKVTESA-N 1 0 405.543 -0.068 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431209741 1068589528 /nfs/dbraw/zinc/58/95/28/1068589528.db2.gz UDPGZKPRSKYVER-CABCVRRESA-N 1 0 405.499 -0.931 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431209742 1068589441 /nfs/dbraw/zinc/58/94/41/1068589441.db2.gz UDPGZKPRSKYVER-GJZGRUSLSA-N 1 0 405.499 -0.931 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431209743 1068589298 /nfs/dbraw/zinc/58/92/98/1068589298.db2.gz UDPGZKPRSKYVER-HUUCEWRRSA-N 1 0 405.499 -0.931 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431209744 1068589254 /nfs/dbraw/zinc/58/92/54/1068589254.db2.gz UDPGZKPRSKYVER-LSDHHAIUSA-N 1 0 405.499 -0.931 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431211916 1068589353 /nfs/dbraw/zinc/58/93/53/1068589353.db2.gz VGWPIAOCFJEHMB-HNNXBMFYSA-N 1 0 407.515 -0.684 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431211917 1068590163 /nfs/dbraw/zinc/59/01/63/1068590163.db2.gz VGWPIAOCFJEHMB-OAHLLOKOSA-N 1 0 407.515 -0.684 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)CC1 ZINC000431240431 1068590522 /nfs/dbraw/zinc/59/05/22/1068590522.db2.gz XRQHNOMYSQPMFA-KRWDZBQOSA-N 1 0 405.543 -0.210 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)CC1 ZINC000431240532 1068590563 /nfs/dbraw/zinc/59/05/63/1068590563.db2.gz XRQHNOMYSQPMFA-QGZVFWFLSA-N 1 0 405.543 -0.210 20 0 HBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000431259751 1068598197 /nfs/dbraw/zinc/59/81/97/1068598197.db2.gz QOWNUKDJBKZIIG-GOSISDBHSA-N 1 0 419.526 -0.630 20 0 HBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000431259752 1068598253 /nfs/dbraw/zinc/59/82/53/1068598253.db2.gz QOWNUKDJBKZIIG-SFHVURJKSA-N 1 0 419.526 -0.630 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000431285696 1068623162 /nfs/dbraw/zinc/62/31/62/1068623162.db2.gz UXBKEYMYIQKEBV-HNNXBMFYSA-N 1 0 413.544 -0.010 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000431285697 1068623216 /nfs/dbraw/zinc/62/32/16/1068623216.db2.gz UXBKEYMYIQKEBV-OAHLLOKOSA-N 1 0 413.544 -0.010 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431314228 1068637610 /nfs/dbraw/zinc/63/76/10/1068637610.db2.gz OJTXZEKHTDZQRP-CVEARBPZSA-N 1 0 417.576 -0.004 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431314229 1068637375 /nfs/dbraw/zinc/63/73/75/1068637375.db2.gz OJTXZEKHTDZQRP-HOTGVXAUSA-N 1 0 417.576 -0.004 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431314230 1068637307 /nfs/dbraw/zinc/63/73/07/1068637307.db2.gz OJTXZEKHTDZQRP-HZPDHXFCSA-N 1 0 417.576 -0.004 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431314231 1068637619 /nfs/dbraw/zinc/63/76/19/1068637619.db2.gz OJTXZEKHTDZQRP-JKSUJKDBSA-N 1 0 417.576 -0.004 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc2oc1=O ZINC000431363186 1068659866 /nfs/dbraw/zinc/65/98/66/1068659866.db2.gz PGINFSBFRRGQBT-CYBMUJFWSA-N 1 0 416.438 -0.669 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)ccc2oc1=O ZINC000431363187 1068659725 /nfs/dbraw/zinc/65/97/25/1068659725.db2.gz PGINFSBFRRGQBT-ZDUSSCGKSA-N 1 0 416.438 -0.669 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000431363911 1068662039 /nfs/dbraw/zinc/66/20/39/1068662039.db2.gz MUKTVJGSYWFJDW-GOSISDBHSA-N 1 0 414.510 -0.001 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000431363912 1068661883 /nfs/dbraw/zinc/66/18/83/1068661883.db2.gz MUKTVJGSYWFJDW-SFHVURJKSA-N 1 0 414.510 -0.001 20 0 HBADRO CO[C@@H]1COC[C@H]1n1cc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)nn1 ZINC000431368193 1068665429 /nfs/dbraw/zinc/66/54/29/1068665429.db2.gz DOLFPKMRWCBGMR-IAGOWNOFSA-N 1 0 423.518 -0.344 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000431373128 1068668747 /nfs/dbraw/zinc/66/87/47/1068668747.db2.gz BQKTZPDMVHISDA-HNNXBMFYSA-N 1 0 402.455 -0.249 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000431373130 1068668646 /nfs/dbraw/zinc/66/86/46/1068668646.db2.gz BQKTZPDMVHISDA-OAHLLOKOSA-N 1 0 402.455 -0.249 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)c2)CC1 ZINC000431382150 1068679641 /nfs/dbraw/zinc/67/96/41/1068679641.db2.gz LIDPHPGLNMVBPA-KRWDZBQOSA-N 1 0 400.483 -0.392 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)c2)CC1 ZINC000431382151 1068679492 /nfs/dbraw/zinc/67/94/92/1068679492.db2.gz LIDPHPGLNMVBPA-QGZVFWFLSA-N 1 0 400.483 -0.392 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@@](C)(O)CC[NH+](C)C)nc2n(C)c1=O ZINC000431389114 1068685861 /nfs/dbraw/zinc/68/58/61/1068685861.db2.gz OAOJNJGTXWCJPT-IBGZPJMESA-N 1 0 406.487 -0.190 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@](C)(O)CC[NH+](C)C)nc2n(C)c1=O ZINC000431389115 1068686089 /nfs/dbraw/zinc/68/60/89/1068686089.db2.gz OAOJNJGTXWCJPT-LJQANCHMSA-N 1 0 406.487 -0.190 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431445769 1068701848 /nfs/dbraw/zinc/70/18/48/1068701848.db2.gz OUOHYISUJPDLTF-UHFFFAOYSA-N 1 0 417.576 -0.051 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431448786 1068702174 /nfs/dbraw/zinc/70/21/74/1068702174.db2.gz MUUXQFXGCRMLTJ-OAHLLOKOSA-N 1 0 403.549 -0.298 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431449126 1068702316 /nfs/dbraw/zinc/70/23/16/1068702316.db2.gz ZDDNNKZZMYGBRE-HNNXBMFYSA-N 1 0 403.549 -0.441 20 0 HBADRO CS(=O)(=O)N1CC[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431449129 1068702145 /nfs/dbraw/zinc/70/21/45/1068702145.db2.gz ZDDNNKZZMYGBRE-OAHLLOKOSA-N 1 0 403.549 -0.441 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O ZINC000431454716 1068703358 /nfs/dbraw/zinc/70/33/58/1068703358.db2.gz BKASLBBHLWTMHA-HNNXBMFYSA-N 1 0 411.503 -0.558 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O ZINC000431454717 1068703239 /nfs/dbraw/zinc/70/32/39/1068703239.db2.gz BKASLBBHLWTMHA-OAHLLOKOSA-N 1 0 411.503 -0.558 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)CCCOC)cn2)CC1 ZINC000431460030 1068705667 /nfs/dbraw/zinc/70/56/67/1068705667.db2.gz UPEULACRBLRVEJ-UHFFFAOYSA-N 1 0 413.544 -0.204 20 0 HBADRO CC(C)(C)Nc1nc(NC[C@H]2CC[C@@H](CO)O2)[nH+]c(NC[C@H]2CC[C@@H](CO)O2)n1 ZINC000431477800 1068720608 /nfs/dbraw/zinc/72/06/08/1068720608.db2.gz ONYMOOPNRASFCC-KBXIAJHMSA-N 1 0 410.519 -0.171 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431569623 1068888041 /nfs/dbraw/zinc/88/80/41/1068888041.db2.gz GMSBNDHTJPGQFW-UHFFFAOYSA-N 1 0 412.578 -0.821 20 0 HBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000431572961 1068891166 /nfs/dbraw/zinc/89/11/66/1068891166.db2.gz YZRMUFIJFYUAHH-UHFFFAOYSA-N 1 0 418.541 -0.396 20 0 HBADRO O=C(CNS(=O)(=O)CC1CCS(=O)(=O)CC1)NCC[NH+]1CCCCCC1 ZINC000431576656 1068893638 /nfs/dbraw/zinc/89/36/38/1068893638.db2.gz VAPZPLQWXYMHTI-UHFFFAOYSA-N 1 0 409.574 -0.277 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)NCC[NH+]1CCCCCC1 ZINC000431577049 1068893653 /nfs/dbraw/zinc/89/36/53/1068893653.db2.gz IHFPLXPJZWBQAI-UHFFFAOYSA-N 1 0 423.495 -0.513 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)NCC[NH+]1CCCCCC1 ZINC000431582100 1068896254 /nfs/dbraw/zinc/89/62/54/1068896254.db2.gz HSPPDNYHYDKFMO-UHFFFAOYSA-N 1 0 407.500 -0.067 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000431584277 1068896275 /nfs/dbraw/zinc/89/62/75/1068896275.db2.gz IDIDAXFZPYOYKU-UHFFFAOYSA-N 1 0 401.489 -0.673 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000431585043 1068896341 /nfs/dbraw/zinc/89/63/41/1068896341.db2.gz XXPBMHKDUZZEOZ-UHFFFAOYSA-N 1 0 418.541 -0.244 20 0 HBADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431592965 1068901819 /nfs/dbraw/zinc/90/18/19/1068901819.db2.gz URTBSZFTHOTCRX-UHFFFAOYSA-N 1 0 401.489 -0.143 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)CCN1CCC[C@H]1CS(=O)(=O)NC ZINC000431594519 1069260556 /nfs/dbraw/zinc/26/05/56/1069260556.db2.gz GFIBLLLAFCUBRH-HRCADAONSA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1CC[C@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594521 1069260645 /nfs/dbraw/zinc/26/06/45/1069260645.db2.gz GFIBLLLAFCUBRH-JYJNAYRXSA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)CCN1CCC[C@H]1CS(=O)(=O)NC ZINC000431594522 1069260737 /nfs/dbraw/zinc/26/07/37/1069260737.db2.gz GFIBLLLAFCUBRH-OWCLPIDISA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1CC[C@@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594523 1069260330 /nfs/dbraw/zinc/26/03/30/1069260330.db2.gz GFIBLLLAFCUBRH-PMPSAXMXSA-N 1 0 410.606 -0.208 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431595000 1068902419 /nfs/dbraw/zinc/90/24/19/1068902419.db2.gz IBVGYRRFILBBBL-UHFFFAOYSA-N 1 0 404.533 -0.302 20 0 HBADRO CN(C)C(=O)c1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000431599961 1068903731 /nfs/dbraw/zinc/90/37/31/1068903731.db2.gz LCPBRHWMAZAFFK-UHFFFAOYSA-N 1 0 413.544 -0.003 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431607656 1068905120 /nfs/dbraw/zinc/90/51/20/1068905120.db2.gz IMRBJFHMIWTEIJ-HNNXBMFYSA-N 1 0 404.533 -0.160 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431607657 1068904864 /nfs/dbraw/zinc/90/48/64/1068904864.db2.gz IMRBJFHMIWTEIJ-OAHLLOKOSA-N 1 0 404.533 -0.160 20 0 HBADRO O=C(CNS(=O)(=O)c1cccc(-n2cnnn2)c1)NCC[NH+]1CCCCCC1 ZINC000431608707 1068905753 /nfs/dbraw/zinc/90/57/53/1068905753.db2.gz LGWCICVNNJTDLM-UHFFFAOYSA-N 1 0 407.500 -0.067 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000431611899 1068905991 /nfs/dbraw/zinc/90/59/91/1068905991.db2.gz XLWRZOLIOJLZJD-UHFFFAOYSA-N 1 0 417.576 -0.006 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000431612674 1068906576 /nfs/dbraw/zinc/90/65/76/1068906576.db2.gz YXJBUXAEFBNPAY-UHFFFAOYSA-N 1 0 417.576 -0.100 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000431624619 1068913215 /nfs/dbraw/zinc/91/32/15/1068913215.db2.gz WQFDXRSYWXJALL-UHFFFAOYSA-N 1 0 417.576 -0.052 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000431624822 1068912342 /nfs/dbraw/zinc/91/23/42/1068912342.db2.gz XKOXPWQSZKWNPB-UHFFFAOYSA-N 1 0 410.519 -0.146 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccn1 ZINC000431712885 1068969760 /nfs/dbraw/zinc/96/97/60/1068969760.db2.gz UGAYICPAMYNPKU-UHFFFAOYSA-N 1 0 408.484 -0.108 20 0 HBADRO CS(=O)(=O)N1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431781533 1068991856 /nfs/dbraw/zinc/99/18/56/1068991856.db2.gz CFVSZTSWNBJWLP-UHFFFAOYSA-N 1 0 403.549 -0.298 20 0 HBADRO Cn1c(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000431821062 1068996536 /nfs/dbraw/zinc/99/65/36/1068996536.db2.gz FQHIFWPGEZEJDF-UHFFFAOYSA-N 1 0 405.503 0.411 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000431823167 1068997410 /nfs/dbraw/zinc/99/74/10/1068997410.db2.gz MQLZWJVSJXGEQK-UHFFFAOYSA-N 1 0 402.521 -0.040 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431841308 1069033928 /nfs/dbraw/zinc/03/39/28/1069033928.db2.gz DBYXFOISQHXHDU-UHFFFAOYSA-N 1 0 405.565 -0.051 20 0 HBADRO CCN(CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000431846060 1069046837 /nfs/dbraw/zinc/04/68/37/1069046837.db2.gz QZAXOJGEPRMUMC-UHFFFAOYSA-N 1 0 405.565 -0.051 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431871624 1069082704 /nfs/dbraw/zinc/08/27/04/1069082704.db2.gz WPSVYZVZFKXYKK-HNNXBMFYSA-N 1 0 403.549 -0.298 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431871626 1069082654 /nfs/dbraw/zinc/08/26/54/1069082654.db2.gz WPSVYZVZFKXYKK-OAHLLOKOSA-N 1 0 403.549 -0.298 20 0 HBADRO COC(=O)CCN(C)S(=O)(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000431896007 1069089051 /nfs/dbraw/zinc/08/90/51/1069089051.db2.gz JWOJYEASGZZNAG-UHFFFAOYSA-N 1 0 406.549 -0.058 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431909543 1069092766 /nfs/dbraw/zinc/09/27/66/1069092766.db2.gz PCQLFVHMVWRENX-UHFFFAOYSA-N 1 0 403.549 -0.441 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000431910380 1069092914 /nfs/dbraw/zinc/09/29/14/1069092914.db2.gz BQXMAVKWNOKNCS-KRWDZBQOSA-N 1 0 401.577 -0.113 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000431910381 1069092727 /nfs/dbraw/zinc/09/27/27/1069092727.db2.gz BQXMAVKWNOKNCS-QGZVFWFLSA-N 1 0 401.577 -0.113 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431920794 1069095478 /nfs/dbraw/zinc/09/54/78/1069095478.db2.gz HGGQGKBTUOGXCZ-UHFFFAOYSA-N 1 0 406.553 -0.890 20 0 HBADRO O=C(CNC(=O)NCCS(=O)(=O)NCC1CCC1)NCC[NH+]1CCCCCC1 ZINC000431924276 1069096634 /nfs/dbraw/zinc/09/66/34/1069096634.db2.gz HBTMZSWBLYVXLT-UHFFFAOYSA-N 1 0 417.576 -0.003 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000431932375 1069099510 /nfs/dbraw/zinc/09/95/10/1069099510.db2.gz YFIXHTVPLKCKIH-CALCHBBNSA-N 1 0 404.577 -0.041 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000431932376 1069099575 /nfs/dbraw/zinc/09/95/75/1069099575.db2.gz YFIXHTVPLKCKIH-IAGOWNOFSA-N 1 0 404.577 -0.041 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000431932377 1069099462 /nfs/dbraw/zinc/09/94/62/1069099462.db2.gz YFIXHTVPLKCKIH-IRXDYDNUSA-N 1 0 404.577 -0.041 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431938297 1069103110 /nfs/dbraw/zinc/10/31/10/1069103110.db2.gz MYZDCDQPRBUYCJ-UHFFFAOYSA-N 1 0 424.546 -0.641 20 0 HBADRO CCN(CC)S(=O)(=O)CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431939089 1069103168 /nfs/dbraw/zinc/10/31/68/1069103168.db2.gz QEKULBWSSZFUFH-UHFFFAOYSA-N 1 0 405.565 -0.051 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000431959420 1069111168 /nfs/dbraw/zinc/11/11/68/1069111168.db2.gz TVJBHOFIIQYZTP-UHFFFAOYSA-N 1 0 404.515 -0.081 20 0 HBADRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000431981403 1069171917 /nfs/dbraw/zinc/17/19/17/1069171917.db2.gz MTUUVSVMVIPDGW-INIZCTEOSA-N 1 0 418.498 -0.379 20 0 HBADRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000431981404 1069171782 /nfs/dbraw/zinc/17/17/82/1069171782.db2.gz MTUUVSVMVIPDGW-MRXNPFEDSA-N 1 0 418.498 -0.379 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431986501 1069173326 /nfs/dbraw/zinc/17/33/26/1069173326.db2.gz MOHIYVSWHDULGW-UHFFFAOYSA-N 1 0 410.563 -0.170 20 0 HBADRO COCCCS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000432038000 1069178321 /nfs/dbraw/zinc/17/83/21/1069178321.db2.gz HIXHGRMZPBVFEG-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO CN(CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000432044807 1069177888 /nfs/dbraw/zinc/17/78/88/1069177888.db2.gz FUHBYBDURDQSCQ-INIZCTEOSA-N 1 0 416.588 -0.152 20 0 HBADRO CN(CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000432044808 1069177629 /nfs/dbraw/zinc/17/76/29/1069177629.db2.gz FUHBYBDURDQSCQ-MRXNPFEDSA-N 1 0 416.588 -0.152 20 0 HBADRO COCCn1nnc2c1CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000432111424 1069186371 /nfs/dbraw/zinc/18/63/71/1069186371.db2.gz KLMDIJAZMZGXMD-KRWDZBQOSA-N 1 0 407.519 -0.065 20 0 HBADRO COCCn1nnc2c1CCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000432111425 1069186197 /nfs/dbraw/zinc/18/61/97/1069186197.db2.gz KLMDIJAZMZGXMD-QGZVFWFLSA-N 1 0 407.519 -0.065 20 0 HBADRO Cc1c([C@@H]2[C@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC(=O)N2C)cnn1C ZINC000432157697 1069192276 /nfs/dbraw/zinc/19/22/76/1069192276.db2.gz SUHQRBVAYASDHN-APWZRJJASA-N 1 0 419.526 -0.066 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC(=O)N2C)cnn1C ZINC000432157698 1069192096 /nfs/dbraw/zinc/19/20/96/1069192096.db2.gz SUHQRBVAYASDHN-LPHOPBHVSA-N 1 0 419.526 -0.066 20 0 HBADRO Cc1c([C@H]2[C@@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC(=O)N2C)cnn1C ZINC000432157699 1069192228 /nfs/dbraw/zinc/19/22/28/1069192228.db2.gz SUHQRBVAYASDHN-QFBILLFUSA-N 1 0 419.526 -0.066 20 0 HBADRO Cc1c([C@H]2[C@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC(=O)N2C)cnn1C ZINC000432157704 1069192265 /nfs/dbraw/zinc/19/22/65/1069192265.db2.gz SUHQRBVAYASDHN-VQIMIIECSA-N 1 0 419.526 -0.066 20 0 HBADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000432181534 1069194840 /nfs/dbraw/zinc/19/48/40/1069194840.db2.gz CKAIZXYAVOZKJY-INIZCTEOSA-N 1 0 405.542 -0.034 20 0 HBADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000432181535 1069194975 /nfs/dbraw/zinc/19/49/75/1069194975.db2.gz CKAIZXYAVOZKJY-MRXNPFEDSA-N 1 0 405.542 -0.034 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cn1 ZINC000432303555 1069240242 /nfs/dbraw/zinc/24/02/42/1069240242.db2.gz WWRVPKSJEZHXKT-AWEZNQCLSA-N 1 0 402.521 -0.537 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cn1 ZINC000432303556 1069240167 /nfs/dbraw/zinc/24/01/67/1069240167.db2.gz WWRVPKSJEZHXKT-CQSZACIVSA-N 1 0 402.521 -0.537 20 0 HBADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCCO1 ZINC000432313077 1069246619 /nfs/dbraw/zinc/24/66/19/1069246619.db2.gz JDZJXVBACGGYEH-GFCCVEGCSA-N 1 0 411.484 -0.187 20 0 HBADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCCO1 ZINC000432313078 1069246886 /nfs/dbraw/zinc/24/68/86/1069246886.db2.gz JDZJXVBACGGYEH-LBPRGKRZSA-N 1 0 411.484 -0.187 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000432388089 1069270572 /nfs/dbraw/zinc/27/05/72/1069270572.db2.gz QWKMHEBZWRRYEX-INIZCTEOSA-N 1 0 406.549 -0.209 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000432388090 1069271207 /nfs/dbraw/zinc/27/12/07/1069271207.db2.gz QWKMHEBZWRRYEX-MRXNPFEDSA-N 1 0 406.549 -0.209 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000432392808 1069271173 /nfs/dbraw/zinc/27/11/73/1069271173.db2.gz CLAAXTFBLWNGNA-INIZCTEOSA-N 1 0 405.565 -0.684 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000432392809 1069271020 /nfs/dbraw/zinc/27/10/20/1069271020.db2.gz CLAAXTFBLWNGNA-MRXNPFEDSA-N 1 0 405.565 -0.684 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC2)c1=O ZINC000432422329 1069273358 /nfs/dbraw/zinc/27/33/58/1069273358.db2.gz DRGUYZIRBMTDTE-UHFFFAOYSA-N 1 0 419.530 -0.396 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432423866 1069272932 /nfs/dbraw/zinc/27/29/32/1069272932.db2.gz LPDXESFSQKDASC-INIZCTEOSA-N 1 0 417.576 -0.051 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432423867 1069273526 /nfs/dbraw/zinc/27/35/26/1069273526.db2.gz LPDXESFSQKDASC-MRXNPFEDSA-N 1 0 417.576 -0.051 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432424133 1069273337 /nfs/dbraw/zinc/27/33/37/1069273337.db2.gz NKETVUPNASHGOR-HNNXBMFYSA-N 1 0 403.549 -0.298 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432424134 1069273302 /nfs/dbraw/zinc/27/33/02/1069273302.db2.gz NKETVUPNASHGOR-OAHLLOKOSA-N 1 0 403.549 -0.298 20 0 HBADRO NS(=O)(=O)CC1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000432425659 1069273550 /nfs/dbraw/zinc/27/35/50/1069273550.db2.gz WJFNWAWBWUIMAC-UHFFFAOYSA-N 1 0 403.549 -0.311 20 0 HBADRO O=C(CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O)NCC[NH+]1CCCCCC1 ZINC000432432346 1069274294 /nfs/dbraw/zinc/27/42/94/1069274294.db2.gz GTDWIGFIBXNHBX-UHFFFAOYSA-N 1 0 408.503 -0.201 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2=O)cn1 ZINC000432432395 1069273951 /nfs/dbraw/zinc/27/39/51/1069273951.db2.gz GWHSQLNSSILOMX-INIZCTEOSA-N 1 0 405.503 -0.183 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2=O)cn1 ZINC000432432402 1069274304 /nfs/dbraw/zinc/27/43/04/1069274304.db2.gz GWHSQLNSSILOMX-MRXNPFEDSA-N 1 0 405.503 -0.183 20 0 HBADRO C[C@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCN1S(C)(=O)=O ZINC000432434556 1069274776 /nfs/dbraw/zinc/27/47/76/1069274776.db2.gz ZGJHNQKKZVFLNO-HNNXBMFYSA-N 1 0 403.549 -0.346 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432434761 1069275043 /nfs/dbraw/zinc/27/50/43/1069275043.db2.gz DONLGYUBXVQMPB-HNNXBMFYSA-N 1 0 403.549 -0.298 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432434762 1069275017 /nfs/dbraw/zinc/27/50/17/1069275017.db2.gz DONLGYUBXVQMPB-OAHLLOKOSA-N 1 0 403.549 -0.298 20 0 HBADRO O=C(CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NCC[NH+]1CCCCCC1 ZINC000432437160 1069275325 /nfs/dbraw/zinc/27/53/25/1069275325.db2.gz OKZIWKDSMRQUQF-UHFFFAOYSA-N 1 0 422.530 -0.889 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000432441857 1069275881 /nfs/dbraw/zinc/27/58/81/1069275881.db2.gz KXTVPENUWRVHNO-UHFFFAOYSA-N 1 0 424.546 -0.643 20 0 HBADRO CNS(=O)(=O)C1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000432443733 1069276093 /nfs/dbraw/zinc/27/60/93/1069276093.db2.gz ASFFILWPSAJWCV-UHFFFAOYSA-N 1 0 403.549 -0.298 20 0 HBADRO Cn1cc(N2CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC2=O)cn1 ZINC000432445331 1069276734 /nfs/dbraw/zinc/27/67/34/1069276734.db2.gz UKSBGFDXHCSFDY-UHFFFAOYSA-N 1 0 405.503 -0.230 20 0 HBADRO COCCn1nnc2c1CCN(C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC000432451270 1069790971 /nfs/dbraw/zinc/79/09/71/1069790971.db2.gz ZJUAOEGKIABRTG-UHFFFAOYSA-N 1 0 407.519 -0.016 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000432474018 1069279608 /nfs/dbraw/zinc/27/96/08/1069279608.db2.gz AXNZJEPXLGVZTN-KRWDZBQOSA-N 1 0 419.592 -0.437 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000432474019 1069280028 /nfs/dbraw/zinc/28/00/28/1069280028.db2.gz AXNZJEPXLGVZTN-QGZVFWFLSA-N 1 0 419.592 -0.437 20 0 HBADRO O=C(CCn1nnc2ccccc2c1=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432524083 1069288225 /nfs/dbraw/zinc/28/82/25/1069288225.db2.gz FDVFDWFALDEFOD-UHFFFAOYSA-N 1 0 402.499 -0.312 20 0 HBADRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432524689 1069288063 /nfs/dbraw/zinc/28/80/63/1069288063.db2.gz HGHDWBJRFQUPTO-UHFFFAOYSA-N 1 0 417.510 -0.002 20 0 HBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432526997 1069290238 /nfs/dbraw/zinc/29/02/38/1069290238.db2.gz PAJJZBNEDBKWLK-HNNXBMFYSA-N 1 0 418.585 -0.079 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432526998 1069290442 /nfs/dbraw/zinc/29/04/42/1069290442.db2.gz PAJJZBNEDBKWLK-OAHLLOKOSA-N 1 0 418.585 -0.079 20 0 HBADRO CN(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)S(=O)(=O)c1ccccc1 ZINC000432529756 1069290301 /nfs/dbraw/zinc/29/03/01/1069290301.db2.gz FQEYUTPKXJJYTE-UHFFFAOYSA-N 1 0 412.556 -0.187 20 0 HBADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432538102 1069291472 /nfs/dbraw/zinc/29/14/72/1069291472.db2.gz YUEHKKZCPNKZLJ-UHFFFAOYSA-N 1 0 403.483 -0.392 20 0 HBADRO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432542319 1069292061 /nfs/dbraw/zinc/29/20/61/1069292061.db2.gz OCZXKVJTFVCQCK-KRWDZBQOSA-N 1 0 404.577 -0.303 20 0 HBADRO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000432542323 1069292182 /nfs/dbraw/zinc/29/21/82/1069292182.db2.gz OCZXKVJTFVCQCK-QGZVFWFLSA-N 1 0 404.577 -0.303 20 0 HBADRO CS(=O)(=O)c1nc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c2ccccn21 ZINC000432548612 1069293343 /nfs/dbraw/zinc/29/33/43/1069293343.db2.gz YOYUMWONYFBWEH-UHFFFAOYSA-N 1 0 423.539 -0.142 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCCO1 ZINC000432557970 1069293588 /nfs/dbraw/zinc/29/35/88/1069293588.db2.gz NNFAUSBGUWLHFF-GFCCVEGCSA-N 1 0 402.473 -0.726 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCCO1 ZINC000432557972 1069293417 /nfs/dbraw/zinc/29/34/17/1069293417.db2.gz NNFAUSBGUWLHFF-LBPRGKRZSA-N 1 0 402.473 -0.726 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000432559302 1069294452 /nfs/dbraw/zinc/29/44/52/1069294452.db2.gz RECCMCOYEAZZRP-UHFFFAOYSA-N 1 0 419.592 -0.294 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000432559543 1069294106 /nfs/dbraw/zinc/29/41/06/1069294106.db2.gz VORJQOIBMDMKHG-UHFFFAOYSA-N 1 0 406.549 -0.208 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCCO1 ZINC000432563835 1069294191 /nfs/dbraw/zinc/29/41/91/1069294191.db2.gz WKNSHOIQENKVBG-GFCCVEGCSA-N 1 0 401.489 -0.991 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCCO1 ZINC000432563836 1069294284 /nfs/dbraw/zinc/29/42/84/1069294284.db2.gz WKNSHOIQENKVBG-LBPRGKRZSA-N 1 0 401.489 -0.991 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000432581851 1069296303 /nfs/dbraw/zinc/29/63/03/1069296303.db2.gz SOCRNWPMCNFBEL-UHFFFAOYSA-N 1 0 406.549 -0.209 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432582370 1069297307 /nfs/dbraw/zinc/29/73/07/1069297307.db2.gz VCQCIVPFWNXDDT-HNNXBMFYSA-N 1 0 406.549 -0.562 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432582374 1069297256 /nfs/dbraw/zinc/29/72/56/1069297256.db2.gz VCQCIVPFWNXDDT-OAHLLOKOSA-N 1 0 406.549 -0.562 20 0 HBADRO CCn1cccc(CNc2nc(NC)[nH+]c(NCc3cccn(CC)c3=O)n2)c1=O ZINC000432843822 1069348319 /nfs/dbraw/zinc/34/83/19/1069348319.db2.gz UEAWGEXPAVYVCT-UHFFFAOYSA-N 1 0 410.482 -0.234 20 0 HBADRO CNc1nc(N2CC[S@](=O)C[C@H](C)C2)nc(N2CC[S@](=O)C[C@@H](C)C2)[nH+]1 ZINC000432846045 1069347851 /nfs/dbraw/zinc/34/78/51/1069347851.db2.gz IAOJGODEOMFMBE-DDGRSEBPSA-N 1 0 400.574 -0.255 20 0 HBADRO CNc1nc(N2CC[S@](=O)C[C@H](C)C2)nc(N2CC[S@@](=O)C[C@@H](C)C2)[nH+]1 ZINC000432846046 1069347706 /nfs/dbraw/zinc/34/77/06/1069347706.db2.gz IAOJGODEOMFMBE-KKHKCVFJSA-N 1 0 400.574 -0.255 20 0 HBADRO CNc1nc(N2CC[S@](=O)C[C@H](C)C2)nc(N2CC[S@](=O)C[C@H](C)C2)[nH+]1 ZINC000432846047 1069347470 /nfs/dbraw/zinc/34/74/70/1069347470.db2.gz IAOJGODEOMFMBE-OFUMNRJLSA-N 1 0 400.574 -0.255 20 0 HBADRO CNc1nc(N2CC[S@@](=O)C[C@H](C)C2)nc(N2CC[S@](=O)C[C@H](C)C2)[nH+]1 ZINC000432846048 1069347749 /nfs/dbraw/zinc/34/77/49/1069347749.db2.gz IAOJGODEOMFMBE-XEONKOHVSA-N 1 0 400.574 -0.255 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432854553 1069351372 /nfs/dbraw/zinc/35/13/72/1069351372.db2.gz RYCMUOYKTLJGEX-AWEZNQCLSA-N 1 0 403.526 -0.328 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432854556 1069351095 /nfs/dbraw/zinc/35/10/95/1069351095.db2.gz RYCMUOYKTLJGEX-CQSZACIVSA-N 1 0 403.526 -0.328 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000432936033 1069389855 /nfs/dbraw/zinc/38/98/55/1069389855.db2.gz CAZWZXARGVYQIS-UHFFFAOYSA-N 1 0 410.540 -0.087 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000432945711 1069391014 /nfs/dbraw/zinc/39/10/14/1069391014.db2.gz UWODFIXXFOEMAB-UHFFFAOYSA-N 1 0 410.540 -0.087 20 0 HBADRO O=C(CNC(=O)Nc1ccn(CCN2CCOCC2)n1)NCC[NH+]1CCCCCC1 ZINC000432958789 1069392208 /nfs/dbraw/zinc/39/22/08/1069392208.db2.gz FFYWRKBJYXKPCH-UHFFFAOYSA-N 1 0 421.546 0.329 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000433059041 1069405102 /nfs/dbraw/zinc/40/51/02/1069405102.db2.gz SEOWMJUXNJLWKV-DLBZAZTESA-N 1 0 417.553 -0.476 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000433059043 1069404890 /nfs/dbraw/zinc/40/48/90/1069404890.db2.gz SEOWMJUXNJLWKV-IAGOWNOFSA-N 1 0 417.553 -0.476 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000433059045 1069405022 /nfs/dbraw/zinc/40/50/22/1069405022.db2.gz SEOWMJUXNJLWKV-IRXDYDNUSA-N 1 0 417.553 -0.476 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000433059047 1069404234 /nfs/dbraw/zinc/40/42/34/1069404234.db2.gz SEOWMJUXNJLWKV-SJORKVTESA-N 1 0 417.553 -0.476 20 0 HBADRO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000433067708 1071634936 /nfs/dbraw/zinc/63/49/36/1071634936.db2.gz LWSLFCZBMXBESS-FQEVSTJZSA-N 1 0 418.538 -0.475 20 0 HBADRO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H](O)Cc1ccccc1 ZINC000433067709 1071635070 /nfs/dbraw/zinc/63/50/70/1071635070.db2.gz LWSLFCZBMXBESS-HXUWFJFHSA-N 1 0 418.538 -0.475 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCCSC2)CC1)N1CCOCC1 ZINC000433197970 1071644783 /nfs/dbraw/zinc/64/47/83/1071644783.db2.gz VLCHIKLVAWYPFN-KRWDZBQOSA-N 1 0 414.572 -0.821 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)CC1)N1CCOCC1 ZINC000433197971 1071644723 /nfs/dbraw/zinc/64/47/23/1071644723.db2.gz VLCHIKLVAWYPFN-QGZVFWFLSA-N 1 0 414.572 -0.821 20 0 HBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000433350648 1069442086 /nfs/dbraw/zinc/44/20/86/1069442086.db2.gz FRKICVOAVJREAY-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000433355313 1069442813 /nfs/dbraw/zinc/44/28/13/1069442813.db2.gz PFYJRBXTBOJTQW-BEFAXECRSA-N 1 0 409.531 -0.256 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000433355317 1069442604 /nfs/dbraw/zinc/44/26/04/1069442604.db2.gz PFYJRBXTBOJTQW-DNVCBOLYSA-N 1 0 409.531 -0.256 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000433355319 1069442800 /nfs/dbraw/zinc/44/28/00/1069442800.db2.gz PFYJRBXTBOJTQW-HNAYVOBHSA-N 1 0 409.531 -0.256 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000433355321 1069442833 /nfs/dbraw/zinc/44/28/33/1069442833.db2.gz PFYJRBXTBOJTQW-KXBFYZLASA-N 1 0 409.531 -0.256 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC000433368302 1069445299 /nfs/dbraw/zinc/44/52/99/1069445299.db2.gz SUZGTUNMUDNLDD-UHFFFAOYSA-N 1 0 422.511 -0.601 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CC[NH+](CC)CC1 ZINC000433369266 1069445275 /nfs/dbraw/zinc/44/52/75/1069445275.db2.gz WALCOYVFHFQYRE-UHFFFAOYSA-N 1 0 404.558 -0.099 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCCO1 ZINC000433384257 1069448891 /nfs/dbraw/zinc/44/88/91/1069448891.db2.gz CSABLPJVMCXEIV-AWEZNQCLSA-N 1 0 403.505 -0.106 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCCO1 ZINC000433384260 1069449035 /nfs/dbraw/zinc/44/90/35/1069449035.db2.gz CSABLPJVMCXEIV-CQSZACIVSA-N 1 0 403.505 -0.106 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000433397089 1069449672 /nfs/dbraw/zinc/44/96/72/1069449672.db2.gz HYWHKBGCGUEOLS-UHFFFAOYSA-N 1 0 401.577 -0.063 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000433404017 1069449598 /nfs/dbraw/zinc/44/95/98/1069449598.db2.gz STFCRQKGJRFTIA-KRWDZBQOSA-N 1 0 409.531 -0.181 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000433404018 1069449656 /nfs/dbraw/zinc/44/96/56/1069449656.db2.gz STFCRQKGJRFTIA-QGZVFWFLSA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCO1 ZINC000433448998 1069457597 /nfs/dbraw/zinc/45/75/97/1069457597.db2.gz CZJZZMREIPWPEM-INIZCTEOSA-N 1 0 423.514 -0.510 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCO1 ZINC000433448999 1069457638 /nfs/dbraw/zinc/45/76/38/1069457638.db2.gz CZJZZMREIPWPEM-MRXNPFEDSA-N 1 0 423.514 -0.510 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCO1 ZINC000433454263 1069459262 /nfs/dbraw/zinc/45/92/62/1069459262.db2.gz DXKDGVUZELVOCO-KRWDZBQOSA-N 1 0 409.531 -0.037 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCO1 ZINC000433454266 1069459344 /nfs/dbraw/zinc/45/93/44/1069459344.db2.gz DXKDGVUZELVOCO-QGZVFWFLSA-N 1 0 409.531 -0.037 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCO1 ZINC000433459272 1069466002 /nfs/dbraw/zinc/46/60/02/1069466002.db2.gz WZIHVAAFNXYMEV-GOSISDBHSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCO1 ZINC000433459274 1069465873 /nfs/dbraw/zinc/46/58/73/1069465873.db2.gz WZIHVAAFNXYMEV-SFHVURJKSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCO1 ZINC000433461742 1069465946 /nfs/dbraw/zinc/46/59/46/1069465946.db2.gz WHGBGBIAGNAKDQ-GOSISDBHSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCO1 ZINC000433461743 1069465893 /nfs/dbraw/zinc/46/58/93/1069465893.db2.gz WHGBGBIAGNAKDQ-SFHVURJKSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCCO1 ZINC000433465760 1069466517 /nfs/dbraw/zinc/46/65/17/1069466517.db2.gz IVTCLQRQCLTGON-HNNXBMFYSA-N 1 0 423.518 -0.841 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCCO1 ZINC000433465761 1069466452 /nfs/dbraw/zinc/46/64/52/1069466452.db2.gz IVTCLQRQCLTGON-OAHLLOKOSA-N 1 0 423.518 -0.841 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000433481142 1069470725 /nfs/dbraw/zinc/47/07/25/1069470725.db2.gz ACCFHXMNKRZQLV-UHFFFAOYSA-N 1 0 404.581 -0.512 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433485901 1069471896 /nfs/dbraw/zinc/47/18/96/1069471896.db2.gz BWQLRFLABJNERS-UHFFFAOYSA-N 1 0 410.606 -0.254 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000433491174 1069472413 /nfs/dbraw/zinc/47/24/13/1069472413.db2.gz MGIHTFRZDCQGBZ-UHFFFAOYSA-N 1 0 408.590 -0.548 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000433492215 1069472453 /nfs/dbraw/zinc/47/24/53/1069472453.db2.gz DNYCDQAWOXLYRS-UHFFFAOYSA-N 1 0 413.544 -0.737 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCO1 ZINC000433511225 1069475130 /nfs/dbraw/zinc/47/51/30/1069475130.db2.gz QMEQGVVTZQGCBV-INIZCTEOSA-N 1 0 408.503 0.364 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCO1 ZINC000433511226 1069475178 /nfs/dbraw/zinc/47/51/78/1069475178.db2.gz QMEQGVVTZQGCBV-MRXNPFEDSA-N 1 0 408.503 0.364 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000433632641 1069508382 /nfs/dbraw/zinc/50/83/82/1069508382.db2.gz OMMHQBZXTMACFR-UHFFFAOYSA-N 1 0 422.504 -0.408 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCO1 ZINC000433640895 1069509343 /nfs/dbraw/zinc/50/93/43/1069509343.db2.gz WPTPDXGYAVBNAE-KRWDZBQOSA-N 1 0 422.530 -0.229 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCO1 ZINC000433640896 1069509385 /nfs/dbraw/zinc/50/93/85/1069509385.db2.gz WPTPDXGYAVBNAE-QGZVFWFLSA-N 1 0 422.530 -0.229 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CCCO1 ZINC000433640954 1069509394 /nfs/dbraw/zinc/50/93/94/1069509394.db2.gz XFDJAFPITUHRSV-KRWDZBQOSA-N 1 0 422.530 -0.229 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CCCO1 ZINC000433640955 1069509464 /nfs/dbraw/zinc/50/94/64/1069509464.db2.gz XFDJAFPITUHRSV-QGZVFWFLSA-N 1 0 422.530 -0.229 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCO1 ZINC000433644586 1069510006 /nfs/dbraw/zinc/51/00/06/1069510006.db2.gz JNFJYVFSHJKKDP-HNNXBMFYSA-N 1 0 418.498 -0.427 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCO1 ZINC000433644587 1069509888 /nfs/dbraw/zinc/50/98/88/1069509888.db2.gz JNFJYVFSHJKKDP-OAHLLOKOSA-N 1 0 418.498 -0.427 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1=O ZINC000433646621 1069509953 /nfs/dbraw/zinc/50/99/53/1069509953.db2.gz UGJUBMSBPLRTGL-HNNXBMFYSA-N 1 0 422.482 -0.033 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1=O ZINC000433646622 1069509843 /nfs/dbraw/zinc/50/98/43/1069509843.db2.gz UGJUBMSBPLRTGL-OAHLLOKOSA-N 1 0 422.482 -0.033 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nn1 ZINC000433670078 1069511519 /nfs/dbraw/zinc/51/15/19/1069511519.db2.gz OZMBZFDVZCOHER-KRWDZBQOSA-N 1 0 402.455 -0.331 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nn1 ZINC000433670079 1069511393 /nfs/dbraw/zinc/51/13/93/1069511393.db2.gz OZMBZFDVZCOHER-QGZVFWFLSA-N 1 0 402.455 -0.331 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cn(CC(=O)OC)nn3)cn2)CC1 ZINC000433674052 1069513323 /nfs/dbraw/zinc/51/33/23/1069513323.db2.gz JBLMSQYPAHOAAJ-UHFFFAOYSA-N 1 0 416.486 -0.013 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000433686054 1069512996 /nfs/dbraw/zinc/51/29/96/1069512996.db2.gz YNASYUVTCWFAEA-IBGZPJMESA-N 1 0 402.455 -0.113 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000433686056 1069512836 /nfs/dbraw/zinc/51/28/36/1069512836.db2.gz YNASYUVTCWFAEA-LJQANCHMSA-N 1 0 402.455 -0.113 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nn1 ZINC000433686250 1069512974 /nfs/dbraw/zinc/51/29/74/1069512974.db2.gz RUHQTAVLOVLSKN-KRWDZBQOSA-N 1 0 423.518 -0.613 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nn1 ZINC000433686254 1069512936 /nfs/dbraw/zinc/51/29/36/1069512936.db2.gz RUHQTAVLOVLSKN-QGZVFWFLSA-N 1 0 423.518 -0.613 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000433708888 1069515771 /nfs/dbraw/zinc/51/57/71/1069515771.db2.gz LAYNYKGHHLGIBC-UHFFFAOYSA-N 1 0 423.518 -0.123 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000433777376 1069519192 /nfs/dbraw/zinc/51/91/92/1069519192.db2.gz KWWFAILSKPHWMW-AWEZNQCLSA-N 1 0 406.468 0.135 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000433777377 1069568653 /nfs/dbraw/zinc/56/86/53/1069568653.db2.gz KWWFAILSKPHWMW-CQSZACIVSA-N 1 0 406.468 0.135 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000433794203 1069521489 /nfs/dbraw/zinc/52/14/89/1069521489.db2.gz WQUUNXCJWMXVGM-CABCVRRESA-N 1 0 403.549 -0.315 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000433794204 1069521460 /nfs/dbraw/zinc/52/14/60/1069521460.db2.gz WQUUNXCJWMXVGM-GJZGRUSLSA-N 1 0 403.549 -0.315 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000433794205 1069521357 /nfs/dbraw/zinc/52/13/57/1069521357.db2.gz WQUUNXCJWMXVGM-HUUCEWRRSA-N 1 0 403.549 -0.315 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000433794206 1069521284 /nfs/dbraw/zinc/52/12/84/1069521284.db2.gz WQUUNXCJWMXVGM-LSDHHAIUSA-N 1 0 403.549 -0.315 20 0 HBADRO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCN1c1nccn2cnnc12 ZINC000433813924 1069522514 /nfs/dbraw/zinc/52/25/14/1069522514.db2.gz SHPRNVNYBUOUJR-CABCVRRESA-N 1 0 415.502 -0.316 20 0 HBADRO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCN1c1nccn2cnnc12 ZINC000433813925 1069522365 /nfs/dbraw/zinc/52/23/65/1069522365.db2.gz SHPRNVNYBUOUJR-GJZGRUSLSA-N 1 0 415.502 -0.316 20 0 HBADRO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCN1c1nccn2cnnc12 ZINC000433813926 1069522313 /nfs/dbraw/zinc/52/23/13/1069522313.db2.gz SHPRNVNYBUOUJR-HUUCEWRRSA-N 1 0 415.502 -0.316 20 0 HBADRO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCN1c1nccn2cnnc12 ZINC000433813927 1069522474 /nfs/dbraw/zinc/52/24/74/1069522474.db2.gz SHPRNVNYBUOUJR-LSDHHAIUSA-N 1 0 415.502 -0.316 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000433822402 1069523845 /nfs/dbraw/zinc/52/38/45/1069523845.db2.gz KECGIEONRASZSM-CVEARBPZSA-N 1 0 401.519 -0.020 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000433822403 1069523792 /nfs/dbraw/zinc/52/37/92/1069523792.db2.gz KECGIEONRASZSM-HOTGVXAUSA-N 1 0 401.519 -0.020 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000433822404 1069523759 /nfs/dbraw/zinc/52/37/59/1069523759.db2.gz KECGIEONRASZSM-HZPDHXFCSA-N 1 0 401.519 -0.020 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000433822405 1069523877 /nfs/dbraw/zinc/52/38/77/1069523877.db2.gz KECGIEONRASZSM-JKSUJKDBSA-N 1 0 401.519 -0.020 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000433823849 1069523743 /nfs/dbraw/zinc/52/37/43/1069523743.db2.gz QICKTEYYDBYNRI-CVEARBPZSA-N 1 0 415.494 -0.061 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000433823853 1069523782 /nfs/dbraw/zinc/52/37/82/1069523782.db2.gz QICKTEYYDBYNRI-HOTGVXAUSA-N 1 0 415.494 -0.061 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000433823855 1069523867 /nfs/dbraw/zinc/52/38/67/1069523867.db2.gz QICKTEYYDBYNRI-HZPDHXFCSA-N 1 0 415.494 -0.061 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000433823857 1069523707 /nfs/dbraw/zinc/52/37/07/1069523707.db2.gz QICKTEYYDBYNRI-JKSUJKDBSA-N 1 0 415.494 -0.061 20 0 HBADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433889364 1069528585 /nfs/dbraw/zinc/52/85/85/1069528585.db2.gz DAXXJUWGHDUSNS-INIZCTEOSA-N 1 0 413.496 -0.183 20 0 HBADRO CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433889365 1069528653 /nfs/dbraw/zinc/52/86/53/1069528653.db2.gz DAXXJUWGHDUSNS-MRXNPFEDSA-N 1 0 413.496 -0.183 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)CC1 ZINC000433890830 1069528560 /nfs/dbraw/zinc/52/85/60/1069528560.db2.gz ONMVCLVUFNHLKO-UHFFFAOYSA-N 1 0 405.503 -0.676 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000433894322 1069527680 /nfs/dbraw/zinc/52/76/80/1069527680.db2.gz RHWJOEJULFCCSH-UHFFFAOYSA-N 1 0 406.531 0.485 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000433942592 1069530985 /nfs/dbraw/zinc/53/09/85/1069530985.db2.gz VYWCUDXRHSZRNC-HNNXBMFYSA-N 1 0 405.503 -0.325 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000433942594 1069531148 /nfs/dbraw/zinc/53/11/48/1069531148.db2.gz VYWCUDXRHSZRNC-OAHLLOKOSA-N 1 0 405.503 -0.325 20 0 HBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000433948865 1069531709 /nfs/dbraw/zinc/53/17/09/1069531709.db2.gz NPYPBYNVYYFXOQ-KRWDZBQOSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000433948866 1069531630 /nfs/dbraw/zinc/53/16/30/1069531630.db2.gz NPYPBYNVYYFXOQ-QGZVFWFLSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000433964105 1069533692 /nfs/dbraw/zinc/53/36/92/1069533692.db2.gz GDZOAIHXGWGBEX-KRWDZBQOSA-N 1 0 407.515 -0.284 20 0 HBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000433964106 1069533576 /nfs/dbraw/zinc/53/35/76/1069533576.db2.gz GDZOAIHXGWGBEX-QGZVFWFLSA-N 1 0 407.515 -0.284 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433977692 1069534240 /nfs/dbraw/zinc/53/42/40/1069534240.db2.gz WBJNUWMFFKUQRI-GDBMZVCRSA-N 1 0 415.560 -0.087 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433977695 1069534281 /nfs/dbraw/zinc/53/42/81/1069534281.db2.gz WBJNUWMFFKUQRI-GOEBONIOSA-N 1 0 415.560 -0.087 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433977696 1069534312 /nfs/dbraw/zinc/53/43/12/1069534312.db2.gz WBJNUWMFFKUQRI-HOCLYGCPSA-N 1 0 415.560 -0.087 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433977698 1069534227 /nfs/dbraw/zinc/53/42/27/1069534227.db2.gz WBJNUWMFFKUQRI-ZBFHGGJFSA-N 1 0 415.560 -0.087 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000434124745 1069576570 /nfs/dbraw/zinc/57/65/70/1069576570.db2.gz PLVALQUOKOMXOA-CVEARBPZSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000434124746 1069576682 /nfs/dbraw/zinc/57/66/82/1069576682.db2.gz PLVALQUOKOMXOA-HOTGVXAUSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000434124747 1069576531 /nfs/dbraw/zinc/57/65/31/1069576531.db2.gz PLVALQUOKOMXOA-HZPDHXFCSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000434124748 1069576646 /nfs/dbraw/zinc/57/66/46/1069576646.db2.gz PLVALQUOKOMXOA-JKSUJKDBSA-N 1 0 415.560 -0.217 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)CC1 ZINC000434130387 1069583915 /nfs/dbraw/zinc/58/39/15/1069583915.db2.gz CFKZWOORPVIDNM-UHFFFAOYSA-N 1 0 406.535 0.389 20 0 HBADRO C[C@](O)(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)CN1CCOCC1 ZINC000434328010 1069773546 /nfs/dbraw/zinc/77/35/46/1069773546.db2.gz TVTPOFVIJWGLSI-DNUAJFIVSA-N 1 0 400.545 -0.088 20 0 HBADRO C[C@@](O)(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)CN1CCOCC1 ZINC000434328011 1069773366 /nfs/dbraw/zinc/77/33/66/1069773366.db2.gz TVTPOFVIJWGLSI-ILXVDBEPSA-N 1 0 400.545 -0.088 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000434331015 1069773447 /nfs/dbraw/zinc/77/34/47/1069773447.db2.gz VEPMVFFDAZQUOZ-NRFANRHFSA-N 1 0 422.526 -0.197 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000434331016 1069773506 /nfs/dbraw/zinc/77/35/06/1069773506.db2.gz VEPMVFFDAZQUOZ-OAQYLSRUSA-N 1 0 422.526 -0.197 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000434340432 1069774921 /nfs/dbraw/zinc/77/49/21/1069774921.db2.gz GXMYSENIFGPNQT-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)o1 ZINC000434355308 1069775487 /nfs/dbraw/zinc/77/54/87/1069775487.db2.gz MLYDJODTPDEDIV-UHFFFAOYSA-N 1 0 412.472 -0.377 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434423167 1069781003 /nfs/dbraw/zinc/78/10/03/1069781003.db2.gz UZXXLRPYTFNVKO-DZGCQCFKSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434423170 1069781072 /nfs/dbraw/zinc/78/10/72/1069781072.db2.gz UZXXLRPYTFNVKO-HIFRSBDPSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434423172 1069781197 /nfs/dbraw/zinc/78/11/97/1069781197.db2.gz UZXXLRPYTFNVKO-UKRRQHHQSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434423174 1069781048 /nfs/dbraw/zinc/78/10/48/1069781048.db2.gz UZXXLRPYTFNVKO-ZFWWWQNUSA-N 1 0 401.533 -0.333 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC000434436949 1069782557 /nfs/dbraw/zinc/78/25/57/1069782557.db2.gz LZEWVGWWGFDHIW-UHFFFAOYSA-N 1 0 412.560 -0.062 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000434437519 1069782507 /nfs/dbraw/zinc/78/25/07/1069782507.db2.gz DIOKYYSEMXQPGJ-UHFFFAOYSA-N 1 0 412.560 -0.285 20 0 HBADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000434449255 1069781917 /nfs/dbraw/zinc/78/19/17/1069781917.db2.gz WUPCAVMQBLVJIB-AWEZNQCLSA-N 1 0 400.501 -0.388 20 0 HBADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000434449256 1069781826 /nfs/dbraw/zinc/78/18/26/1069781826.db2.gz WUPCAVMQBLVJIB-CQSZACIVSA-N 1 0 400.501 -0.388 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)c1 ZINC000434451941 1069782360 /nfs/dbraw/zinc/78/23/60/1069782360.db2.gz IWMMOGQOLQHMNL-GDBMZVCRSA-N 1 0 424.523 -0.350 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2=O)c1 ZINC000434451942 1069782279 /nfs/dbraw/zinc/78/22/79/1069782279.db2.gz IWMMOGQOLQHMNL-GOEBONIOSA-N 1 0 424.523 -0.350 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)c1 ZINC000434451943 1069781853 /nfs/dbraw/zinc/78/18/53/1069781853.db2.gz IWMMOGQOLQHMNL-HOCLYGCPSA-N 1 0 424.523 -0.350 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)CC2=O)c1 ZINC000434451944 1069781890 /nfs/dbraw/zinc/78/18/90/1069781890.db2.gz IWMMOGQOLQHMNL-ZBFHGGJFSA-N 1 0 424.523 -0.350 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)CC1 ZINC000434483577 1069787540 /nfs/dbraw/zinc/78/75/40/1069787540.db2.gz VPFGUJHGRWNGCQ-UHFFFAOYSA-N 1 0 401.577 -0.081 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1=O ZINC000434524358 1069790347 /nfs/dbraw/zinc/79/03/47/1069790347.db2.gz VTOKFNPJZTTYJY-CVEARBPZSA-N 1 0 414.514 -0.133 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1=O ZINC000434524359 1069790066 /nfs/dbraw/zinc/79/00/66/1069790066.db2.gz VTOKFNPJZTTYJY-HOTGVXAUSA-N 1 0 414.514 -0.133 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1=O ZINC000434524360 1069790365 /nfs/dbraw/zinc/79/03/65/1069790365.db2.gz VTOKFNPJZTTYJY-HZPDHXFCSA-N 1 0 414.514 -0.133 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1=O ZINC000434524361 1069790133 /nfs/dbraw/zinc/79/01/33/1069790133.db2.gz VTOKFNPJZTTYJY-JKSUJKDBSA-N 1 0 414.514 -0.133 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000434553920 1069791923 /nfs/dbraw/zinc/79/19/23/1069791923.db2.gz ALZDVLFJQUOSLK-INIZCTEOSA-N 1 0 406.487 -0.283 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000434553921 1069791613 /nfs/dbraw/zinc/79/16/13/1069791613.db2.gz ALZDVLFJQUOSLK-MRXNPFEDSA-N 1 0 406.487 -0.283 20 0 HBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1c1nccn2cnnc12 ZINC000434555802 1069791833 /nfs/dbraw/zinc/79/18/33/1069791833.db2.gz IUGRHYWPSXHYQW-CABCVRRESA-N 1 0 400.487 -0.429 20 0 HBADRO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1c1nccn2cnnc12 ZINC000434555808 1069791858 /nfs/dbraw/zinc/79/18/58/1069791858.db2.gz IUGRHYWPSXHYQW-GJZGRUSLSA-N 1 0 400.487 -0.429 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1c1nccn2cnnc12 ZINC000434555810 1069791667 /nfs/dbraw/zinc/79/16/67/1069791667.db2.gz IUGRHYWPSXHYQW-HUUCEWRRSA-N 1 0 400.487 -0.429 20 0 HBADRO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1c1nccn2cnnc12 ZINC000434555812 1069791789 /nfs/dbraw/zinc/79/17/89/1069791789.db2.gz IUGRHYWPSXHYQW-LSDHHAIUSA-N 1 0 400.487 -0.429 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434557012 1069792689 /nfs/dbraw/zinc/79/26/89/1069792689.db2.gz BZDNYGDQQWOBGR-INIZCTEOSA-N 1 0 401.467 -0.027 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434557014 1069792395 /nfs/dbraw/zinc/79/23/95/1069792395.db2.gz BZDNYGDQQWOBGR-MRXNPFEDSA-N 1 0 401.467 -0.027 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cnc2n(C)c1=O ZINC000434559332 1069792765 /nfs/dbraw/zinc/79/27/65/1069792765.db2.gz OZHKAVWIFBNTOM-AWEZNQCLSA-N 1 0 414.466 -0.296 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cnc2n(C)c1=O ZINC000434559334 1069792526 /nfs/dbraw/zinc/79/25/26/1069792526.db2.gz OZHKAVWIFBNTOM-CQSZACIVSA-N 1 0 414.466 -0.296 20 0 HBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000434559392 1069792632 /nfs/dbraw/zinc/79/26/32/1069792632.db2.gz WHCIDWDSBHKBJO-KRWDZBQOSA-N 1 0 404.515 0.287 20 0 HBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000434559394 1069792830 /nfs/dbraw/zinc/79/28/30/1069792830.db2.gz WHCIDWDSBHKBJO-QGZVFWFLSA-N 1 0 404.515 0.287 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1)N1CCOCC1 ZINC000434561304 1069577825 /nfs/dbraw/zinc/57/78/25/1069577825.db2.gz IYWARPPHTDYMHG-INIZCTEOSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1)N1CCOCC1 ZINC000434561305 1069577591 /nfs/dbraw/zinc/57/75/91/1069577591.db2.gz IYWARPPHTDYMHG-MRXNPFEDSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cn1)N1CCOCC1 ZINC000434561645 1069796158 /nfs/dbraw/zinc/79/61/58/1069796158.db2.gz MVJIIYYNSFECLC-KRWDZBQOSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cn1)N1CCOCC1 ZINC000434561646 1069796257 /nfs/dbraw/zinc/79/62/57/1069796257.db2.gz MVJIIYYNSFECLC-QGZVFWFLSA-N 1 0 418.498 -0.187 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000434567019 1069793371 /nfs/dbraw/zinc/79/33/71/1069793371.db2.gz SEJGDEBARQUWNO-GVDBMIGSSA-N 1 0 404.467 -0.645 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000434567020 1069793517 /nfs/dbraw/zinc/79/35/17/1069793517.db2.gz SEJGDEBARQUWNO-ULQDDVLXSA-N 1 0 404.467 -0.645 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000434567021 1069793411 /nfs/dbraw/zinc/79/34/11/1069793411.db2.gz SEJGDEBARQUWNO-YESZJQIVSA-N 1 0 404.467 -0.645 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000434567022 1069793192 /nfs/dbraw/zinc/79/31/92/1069793192.db2.gz SEJGDEBARQUWNO-ZACQAIPSSA-N 1 0 404.467 -0.645 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)n2)c1C ZINC000434574479 1069795313 /nfs/dbraw/zinc/79/53/13/1069795313.db2.gz KZQPNDNOOJENQG-UHFFFAOYSA-N 1 0 424.465 0.331 20 0 HBADRO CC(C)Oc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1C(N)=O ZINC000434575108 1069798702 /nfs/dbraw/zinc/79/87/02/1069798702.db2.gz MWHFEBWCTCSDIZ-HNNXBMFYSA-N 1 0 419.482 -0.033 20 0 HBADRO CC(C)Oc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1C(N)=O ZINC000434575109 1069798988 /nfs/dbraw/zinc/79/89/88/1069798988.db2.gz MWHFEBWCTCSDIZ-OAHLLOKOSA-N 1 0 419.482 -0.033 20 0 HBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2CC1=O ZINC000434579187 1069798828 /nfs/dbraw/zinc/79/88/28/1069798828.db2.gz XSUKNWXFQGNTQA-CYBMUJFWSA-N 1 0 401.467 -0.152 20 0 HBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2CC1=O ZINC000434579188 1069798941 /nfs/dbraw/zinc/79/89/41/1069798941.db2.gz XSUKNWXFQGNTQA-ZDUSSCGKSA-N 1 0 401.467 -0.152 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)n2)c1C ZINC000434590586 1069797975 /nfs/dbraw/zinc/79/79/75/1069797975.db2.gz ASAZQVUYOZTDLB-UHFFFAOYSA-N 1 0 401.471 0.496 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+](C)C)ccc1OC ZINC000434593921 1069800832 /nfs/dbraw/zinc/80/08/32/1069800832.db2.gz CIAUBCWLJGVPAH-UHFFFAOYSA-N 1 0 402.473 -0.764 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434596465 1069801643 /nfs/dbraw/zinc/80/16/43/1069801643.db2.gz KMDQQVAGRALYII-CYBMUJFWSA-N 1 0 414.484 -0.621 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434596469 1069801934 /nfs/dbraw/zinc/80/19/34/1069801934.db2.gz KMDQQVAGRALYII-ZDUSSCGKSA-N 1 0 414.484 -0.621 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)c1C ZINC000434604279 1069800210 /nfs/dbraw/zinc/80/02/10/1069800210.db2.gz CTCCLFQREQPPDC-UHFFFAOYSA-N 1 0 401.471 0.497 20 0 HBADRO CCOC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCC1 ZINC000434617061 1069803051 /nfs/dbraw/zinc/80/30/51/1069803051.db2.gz RSSNWKBWIZHZNH-UHFFFAOYSA-N 1 0 424.542 -0.155 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000434664822 1069805452 /nfs/dbraw/zinc/80/54/52/1069805452.db2.gz LKYYLSSHJQEXEE-UHFFFAOYSA-N 1 0 415.604 -0.419 20 0 HBADRO CCCCn1c2nc(CN3CCN(C(=O)C[NH+](C)C)CC3)n(C)c2c(=O)[nH]c1=O ZINC000434671242 1069806856 /nfs/dbraw/zinc/80/68/56/1069806856.db2.gz HCIHXCGYQLKPCU-UHFFFAOYSA-N 1 0 405.503 -0.159 20 0 HBADRO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000434672297 1069807128 /nfs/dbraw/zinc/80/71/28/1069807128.db2.gz ASGJIZUSCDXQEA-UHFFFAOYSA-N 1 0 405.499 -0.236 20 0 HBADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000434673162 1069806748 /nfs/dbraw/zinc/80/67/48/1069806748.db2.gz BXJSCDNPDIDLOU-AWEZNQCLSA-N 1 0 423.539 -0.683 20 0 HBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000434673163 1069807081 /nfs/dbraw/zinc/80/70/81/1069807081.db2.gz BXJSCDNPDIDLOU-CQSZACIVSA-N 1 0 423.539 -0.683 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)ccc1C ZINC000434674682 1069808106 /nfs/dbraw/zinc/80/81/06/1069808106.db2.gz IUYXVWYFOBXRFT-UHFFFAOYSA-N 1 0 411.528 -0.453 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000434674708 1069808278 /nfs/dbraw/zinc/80/82/78/1069808278.db2.gz JBXNWMXYPIMUEW-UHFFFAOYSA-N 1 0 407.540 -0.262 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000434675628 1069807716 /nfs/dbraw/zinc/80/77/16/1069807716.db2.gz MRIUFALUVQGYBC-UHFFFAOYSA-N 1 0 405.455 -0.188 20 0 HBADRO COC(=O)c1cc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)cc(C(=O)OC)c1 ZINC000434675777 1069807485 /nfs/dbraw/zinc/80/74/85/1069807485.db2.gz NEGZMPLJMBMGJY-UHFFFAOYSA-N 1 0 420.466 -0.096 20 0 HBADRO C[C@H](NC(=O)CNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000434675985 1069807533 /nfs/dbraw/zinc/80/75/33/1069807533.db2.gz OOMNCTARECASHT-HNNXBMFYSA-N 1 0 407.490 -0.175 20 0 HBADRO C[C@@H](NC(=O)CNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000434675986 1069807658 /nfs/dbraw/zinc/80/76/58/1069807658.db2.gz OOMNCTARECASHT-OAHLLOKOSA-N 1 0 407.490 -0.175 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000434677011 1069807776 /nfs/dbraw/zinc/80/77/76/1069807776.db2.gz VNNMNZIAZZJFDJ-UHFFFAOYSA-N 1 0 406.878 -0.040 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000434678931 1069806587 /nfs/dbraw/zinc/80/65/87/1069806587.db2.gz ADRUCGDYXOMYRC-UHFFFAOYSA-N 1 0 417.919 -0.368 20 0 HBADRO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000434680123 1069806796 /nfs/dbraw/zinc/80/67/96/1069806796.db2.gz HJRQEOJUQYOWJO-UHFFFAOYSA-N 1 0 404.450 -0.246 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000434684367 1069808757 /nfs/dbraw/zinc/80/87/57/1069808757.db2.gz KTZCRZHXFNIZDR-UHFFFAOYSA-N 1 0 411.528 -0.419 20 0 HBADRO COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000434686180 1069808153 /nfs/dbraw/zinc/80/81/53/1069808153.db2.gz UEBDEEGXKGTDOA-UHFFFAOYSA-N 1 0 405.499 -0.202 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c1C ZINC000434686429 1069808059 /nfs/dbraw/zinc/80/80/59/1069808059.db2.gz VYMFTMLQOGADNQ-UHFFFAOYSA-N 1 0 411.528 -0.405 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1OC ZINC000434719073 1069815027 /nfs/dbraw/zinc/81/50/27/1069815027.db2.gz PNGDRQOGJQQQGH-GFCCVEGCSA-N 1 0 416.500 -0.375 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1OC ZINC000434719074 1069814995 /nfs/dbraw/zinc/81/49/95/1069814995.db2.gz PNGDRQOGJQQQGH-LBPRGKRZSA-N 1 0 416.500 -0.375 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000434734398 1069823967 /nfs/dbraw/zinc/82/39/67/1069823967.db2.gz FQATVVBMZRUXRJ-IBGZPJMESA-N 1 0 406.508 -0.269 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000434734399 1069823601 /nfs/dbraw/zinc/82/36/01/1069823601.db2.gz FQATVVBMZRUXRJ-LJQANCHMSA-N 1 0 406.508 -0.269 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000434737198 1069824121 /nfs/dbraw/zinc/82/41/21/1069824121.db2.gz OLJXDSCMMLZXSX-IBGZPJMESA-N 1 0 424.498 -0.129 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000434737199 1069823881 /nfs/dbraw/zinc/82/38/81/1069823881.db2.gz OLJXDSCMMLZXSX-LJQANCHMSA-N 1 0 424.498 -0.129 20 0 HBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(=O)[nH]c1=O ZINC000434741064 1069821463 /nfs/dbraw/zinc/82/14/63/1069821463.db2.gz AVBCFKCFLZGLED-IBGZPJMESA-N 1 0 406.487 -0.104 20 0 HBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(=O)[nH]c1=O ZINC000434741065 1069821958 /nfs/dbraw/zinc/82/19/58/1069821958.db2.gz AVBCFKCFLZGLED-LJQANCHMSA-N 1 0 406.487 -0.104 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2CCN(c3cnccn3)CC2)CC1 ZINC000434743283 1069822572 /nfs/dbraw/zinc/82/25/72/1069822572.db2.gz QAKSTLCHBKDWSN-UHFFFAOYSA-N 1 0 403.531 -0.390 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000434744062 1069823014 /nfs/dbraw/zinc/82/30/14/1069823014.db2.gz SDXGLONXFGWEMP-IBGZPJMESA-N 1 0 424.498 -0.129 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000434744065 1069823117 /nfs/dbraw/zinc/82/31/17/1069823117.db2.gz SDXGLONXFGWEMP-LJQANCHMSA-N 1 0 424.498 -0.129 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](N3CCCS3(=O)=O)C1)c(=O)n2C ZINC000434744155 1069822455 /nfs/dbraw/zinc/82/24/55/1069822455.db2.gz HAJOEXCLQGENQP-AWEZNQCLSA-N 1 0 424.527 -0.676 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](N3CCCS3(=O)=O)C1)c(=O)n2C ZINC000434744162 1069823198 /nfs/dbraw/zinc/82/31/98/1069823198.db2.gz HAJOEXCLQGENQP-CQSZACIVSA-N 1 0 424.527 -0.676 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000434744441 1069822885 /nfs/dbraw/zinc/82/28/85/1069822885.db2.gz DIUNNHASKKAEHM-NRFANRHFSA-N 1 0 400.479 -0.013 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000434744442 1069822747 /nfs/dbraw/zinc/82/27/47/1069822747.db2.gz DIUNNHASKKAEHM-OAQYLSRUSA-N 1 0 400.479 -0.013 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000434747146 1069822310 /nfs/dbraw/zinc/82/23/10/1069822310.db2.gz LDJXKDBXUYCHCL-MSOLQXFVSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000434747148 1069822639 /nfs/dbraw/zinc/82/26/39/1069822639.db2.gz LDJXKDBXUYCHCL-QZTJIDSGSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000434747150 1069822822 /nfs/dbraw/zinc/82/28/22/1069822822.db2.gz LDJXKDBXUYCHCL-ROUUACIJSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000434747151 1069823790 /nfs/dbraw/zinc/82/37/90/1069823790.db2.gz LDJXKDBXUYCHCL-ZWKOTPCHSA-N 1 0 416.588 -0.041 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000434756603 1069825156 /nfs/dbraw/zinc/82/51/56/1069825156.db2.gz NQGUUPVHLHWVKQ-IBGZPJMESA-N 1 0 424.498 -0.129 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000434756722 1069825450 /nfs/dbraw/zinc/82/54/50/1069825450.db2.gz NQGUUPVHLHWVKQ-LJQANCHMSA-N 1 0 424.498 -0.129 20 0 HBADRO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000434758239 1069824802 /nfs/dbraw/zinc/82/48/02/1069824802.db2.gz SFCREKGQFZHDJJ-FQEVSTJZSA-N 1 0 420.535 -0.127 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000434758243 1069824588 /nfs/dbraw/zinc/82/45/88/1069824588.db2.gz SFCREKGQFZHDJJ-HXUWFJFHSA-N 1 0 420.535 -0.127 20 0 HBADRO C[NH+](C)CCCN(C(=O)CCn1nc2ccccn2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000434774932 1069826844 /nfs/dbraw/zinc/82/68/44/1069826844.db2.gz IWPSNDRXEXBCSA-HNNXBMFYSA-N 1 0 409.512 -0.147 20 0 HBADRO C[NH+](C)CCCN(C(=O)CCn1nc2ccccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000434774933 1069826489 /nfs/dbraw/zinc/82/64/89/1069826489.db2.gz IWPSNDRXEXBCSA-OAHLLOKOSA-N 1 0 409.512 -0.147 20 0 HBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000434781101 1069827727 /nfs/dbraw/zinc/82/77/27/1069827727.db2.gz APMRUEFOVPFHFX-CVEARBPZSA-N 1 0 403.487 -0.205 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000434781102 1069827895 /nfs/dbraw/zinc/82/78/95/1069827895.db2.gz APMRUEFOVPFHFX-HOTGVXAUSA-N 1 0 403.487 -0.205 20 0 HBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000434781103 1069827334 /nfs/dbraw/zinc/82/73/34/1069827334.db2.gz APMRUEFOVPFHFX-HZPDHXFCSA-N 1 0 403.487 -0.205 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000434781104 1069827581 /nfs/dbraw/zinc/82/75/81/1069827581.db2.gz APMRUEFOVPFHFX-JKSUJKDBSA-N 1 0 403.487 -0.205 20 0 HBADRO C[NH+](C)CCCN(C(=O)CNS(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000434783233 1069829524 /nfs/dbraw/zinc/82/95/24/1069829524.db2.gz KUWICCWTYJYBNP-CYBMUJFWSA-N 1 0 423.582 -0.006 20 0 HBADRO C[NH+](C)CCCN(C(=O)CNS(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000434783235 1069829234 /nfs/dbraw/zinc/82/92/34/1069829234.db2.gz KUWICCWTYJYBNP-ZDUSSCGKSA-N 1 0 423.582 -0.006 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000434783425 1069829830 /nfs/dbraw/zinc/82/98/30/1069829830.db2.gz HIFZWANBQQBNKO-GFCCVEGCSA-N 1 0 407.514 -0.231 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000434783426 1069830055 /nfs/dbraw/zinc/83/00/55/1069830055.db2.gz HIFZWANBQQBNKO-LBPRGKRZSA-N 1 0 407.514 -0.231 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(OC)c1 ZINC000434785184 1069830311 /nfs/dbraw/zinc/83/03/11/1069830311.db2.gz LVPUWPJKZFXISX-BFUOFWGJSA-N 1 0 407.423 -0.105 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1 ZINC000434785187 1069830511 /nfs/dbraw/zinc/83/05/11/1069830511.db2.gz LVPUWPJKZFXISX-DJJJIMSYSA-N 1 0 407.423 -0.105 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(OC)c1 ZINC000434785190 1069830195 /nfs/dbraw/zinc/83/01/95/1069830195.db2.gz LVPUWPJKZFXISX-ORAYPTAESA-N 1 0 407.423 -0.105 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(OC)c1 ZINC000434785194 1069830415 /nfs/dbraw/zinc/83/04/15/1069830415.db2.gz LVPUWPJKZFXISX-YJYMSZOUSA-N 1 0 407.423 -0.105 20 0 HBADRO O=C(CN1CCC[C@@]2(C1)NC(=O)NC2=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000434786503 1069829971 /nfs/dbraw/zinc/82/99/71/1069829971.db2.gz PAPGHNZNNLOOLD-FQEVSTJZSA-N 1 0 407.515 -0.188 20 0 HBADRO O=C(CN1CCC[C@]2(C1)NC(=O)NC2=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000434786504 1069830112 /nfs/dbraw/zinc/83/01/12/1069830112.db2.gz PAPGHNZNNLOOLD-HXUWFJFHSA-N 1 0 407.515 -0.188 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000434789354 1069830678 /nfs/dbraw/zinc/83/06/78/1069830678.db2.gz XQRROLVRZRAOHL-LTIDMASMSA-N 1 0 404.529 -0.035 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000434789356 1069831619 /nfs/dbraw/zinc/83/16/19/1069831619.db2.gz XQRROLVRZRAOHL-LUKYLMHMSA-N 1 0 404.529 -0.035 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000434789358 1069831124 /nfs/dbraw/zinc/83/11/24/1069831124.db2.gz XQRROLVRZRAOHL-QAETUUGQSA-N 1 0 404.529 -0.035 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000434789360 1069831195 /nfs/dbraw/zinc/83/11/95/1069831195.db2.gz XQRROLVRZRAOHL-QZWWFDLISA-N 1 0 404.529 -0.035 20 0 HBADRO C[C@H]1C[NH+](CCCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000434789383 1069831299 /nfs/dbraw/zinc/83/12/99/1069831299.db2.gz XTSJLGZAPOLTPV-KBPBESRZSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000434789390 1069831349 /nfs/dbraw/zinc/83/13/49/1069831349.db2.gz XTSJLGZAPOLTPV-OKILXGFUSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@@H]1C[NH+](CCCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H](C)O1 ZINC000434789393 1069831664 /nfs/dbraw/zinc/83/16/64/1069831664.db2.gz XTSJLGZAPOLTPV-ZIAGYGMSSA-N 1 0 406.487 -0.561 20 0 HBADRO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000434795054 1069831853 /nfs/dbraw/zinc/83/18/53/1069831853.db2.gz MDCJEKRTENMOOL-GOSISDBHSA-N 1 0 405.480 -0.294 20 0 HBADRO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000434795055 1069832184 /nfs/dbraw/zinc/83/21/84/1069832184.db2.gz MDCJEKRTENMOOL-SFHVURJKSA-N 1 0 405.480 -0.294 20 0 HBADRO CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc21 ZINC000434824757 1069836532 /nfs/dbraw/zinc/83/65/32/1069836532.db2.gz DFKDSILFPDGERL-KRWDZBQOSA-N 1 0 413.478 -0.091 20 0 HBADRO CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)ccc21 ZINC000434824758 1069837234 /nfs/dbraw/zinc/83/72/34/1069837234.db2.gz DFKDSILFPDGERL-QGZVFWFLSA-N 1 0 413.478 -0.091 20 0 HBADRO Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000434825897 1069834872 /nfs/dbraw/zinc/83/48/72/1069834872.db2.gz KKGCJCSPCFMYCT-CVEARBPZSA-N 1 0 418.498 -0.025 20 0 HBADRO Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000434825902 1069835324 /nfs/dbraw/zinc/83/53/24/1069835324.db2.gz KKGCJCSPCFMYCT-HOTGVXAUSA-N 1 0 418.498 -0.025 20 0 HBADRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000434825904 1069834686 /nfs/dbraw/zinc/83/46/86/1069834686.db2.gz KKGCJCSPCFMYCT-HZPDHXFCSA-N 1 0 418.498 -0.025 20 0 HBADRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000434825906 1069835260 /nfs/dbraw/zinc/83/52/60/1069835260.db2.gz KKGCJCSPCFMYCT-JKSUJKDBSA-N 1 0 418.498 -0.025 20 0 HBADRO CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc21 ZINC000434835743 1069837580 /nfs/dbraw/zinc/83/75/80/1069837580.db2.gz GBSDDRSRSIQXGM-UHFFFAOYSA-N 1 0 413.478 -0.089 20 0 HBADRO Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000434837138 1069839030 /nfs/dbraw/zinc/83/90/30/1069839030.db2.gz RYCFHSHZMLHSJJ-INIZCTEOSA-N 1 0 418.498 -0.023 20 0 HBADRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000434837139 1069838429 /nfs/dbraw/zinc/83/84/29/1069838429.db2.gz RYCFHSHZMLHSJJ-MRXNPFEDSA-N 1 0 418.498 -0.023 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)n2)c1C ZINC000434886237 1069850740 /nfs/dbraw/zinc/85/07/40/1069850740.db2.gz LIVLXKUZYHTGSV-IBGZPJMESA-N 1 0 419.486 -0.286 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)n2)c1C ZINC000434886238 1069851273 /nfs/dbraw/zinc/85/12/73/1069851273.db2.gz LIVLXKUZYHTGSV-LJQANCHMSA-N 1 0 419.486 -0.286 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1OC ZINC000434961780 1069855840 /nfs/dbraw/zinc/85/58/40/1069855840.db2.gz HVYBQWCEXLPPPR-UHFFFAOYSA-N 1 0 416.500 -0.422 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434984361 1069856620 /nfs/dbraw/zinc/85/66/20/1069856620.db2.gz WYGFNFKCWCSHEY-DLBZAZTESA-N 1 0 408.499 -0.423 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434984362 1069856296 /nfs/dbraw/zinc/85/62/96/1069856296.db2.gz WYGFNFKCWCSHEY-IAGOWNOFSA-N 1 0 408.499 -0.423 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434984363 1069856953 /nfs/dbraw/zinc/85/69/53/1069856953.db2.gz WYGFNFKCWCSHEY-IRXDYDNUSA-N 1 0 408.499 -0.423 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434984364 1069856866 /nfs/dbraw/zinc/85/68/66/1069856866.db2.gz WYGFNFKCWCSHEY-SJORKVTESA-N 1 0 408.499 -0.423 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000434984750 1069860445 /nfs/dbraw/zinc/86/04/45/1069860445.db2.gz ZCGFTFUDENQRLR-INIZCTEOSA-N 1 0 401.529 -0.059 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000434984751 1069860183 /nfs/dbraw/zinc/86/01/83/1069860183.db2.gz ZCGFTFUDENQRLR-MRXNPFEDSA-N 1 0 401.529 -0.059 20 0 HBADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H](O)CN1CCOCC1 ZINC000434988485 1069861720 /nfs/dbraw/zinc/86/17/20/1069861720.db2.gz SPDZPBFNBYYPRJ-HNNXBMFYSA-N 1 0 400.501 -0.713 20 0 HBADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](O)CN1CCOCC1 ZINC000434988486 1069861256 /nfs/dbraw/zinc/86/12/56/1069861256.db2.gz SPDZPBFNBYYPRJ-OAHLLOKOSA-N 1 0 400.501 -0.713 20 0 HBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cccc21 ZINC000435032039 1069867012 /nfs/dbraw/zinc/86/70/12/1069867012.db2.gz CAOIJZLWCCBYOZ-HNNXBMFYSA-N 1 0 413.438 -0.216 20 0 HBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cccc21 ZINC000435032040 1069867148 /nfs/dbraw/zinc/86/71/48/1069867148.db2.gz CAOIJZLWCCBYOZ-OAHLLOKOSA-N 1 0 413.438 -0.216 20 0 HBADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000435062755 1069868412 /nfs/dbraw/zinc/86/84/12/1069868412.db2.gz DWTBJYRGYXSUQA-CVEARBPZSA-N 1 0 400.476 -0.176 20 0 HBADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000435062756 1069869265 /nfs/dbraw/zinc/86/92/65/1069869265.db2.gz DWTBJYRGYXSUQA-HOTGVXAUSA-N 1 0 400.476 -0.176 20 0 HBADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000435062757 1069869575 /nfs/dbraw/zinc/86/95/75/1069869575.db2.gz DWTBJYRGYXSUQA-HZPDHXFCSA-N 1 0 400.476 -0.176 20 0 HBADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000435062758 1069869459 /nfs/dbraw/zinc/86/94/59/1069869459.db2.gz DWTBJYRGYXSUQA-JKSUJKDBSA-N 1 0 400.476 -0.176 20 0 HBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cccc21 ZINC000435065392 1069869218 /nfs/dbraw/zinc/86/92/18/1069869218.db2.gz QRLZYPRBIXZTBY-DOMZBBRYSA-N 1 0 415.450 -0.821 20 0 HBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cccc21 ZINC000435065393 1069869529 /nfs/dbraw/zinc/86/95/29/1069869529.db2.gz QRLZYPRBIXZTBY-IUODEOHRSA-N 1 0 415.450 -0.821 20 0 HBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cccc21 ZINC000435065394 1069869649 /nfs/dbraw/zinc/86/96/49/1069869649.db2.gz QRLZYPRBIXZTBY-SWLSCSKDSA-N 1 0 415.450 -0.821 20 0 HBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cccc21 ZINC000435065395 1069869179 /nfs/dbraw/zinc/86/91/79/1069869179.db2.gz QRLZYPRBIXZTBY-WFASDCNBSA-N 1 0 415.450 -0.821 20 0 HBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cccc21 ZINC000435092354 1069870878 /nfs/dbraw/zinc/87/08/78/1069870878.db2.gz UIYZVHYWBBMUNK-KBPBESRZSA-N 1 0 401.423 -0.227 20 0 HBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cccc21 ZINC000435092355 1069871361 /nfs/dbraw/zinc/87/13/61/1069871361.db2.gz UIYZVHYWBBMUNK-KGLIPLIRSA-N 1 0 401.423 -0.227 20 0 HBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cccc21 ZINC000435092356 1069872289 /nfs/dbraw/zinc/87/22/89/1069872289.db2.gz UIYZVHYWBBMUNK-UONOGXRCSA-N 1 0 401.423 -0.227 20 0 HBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cccc21 ZINC000435092357 1069872005 /nfs/dbraw/zinc/87/20/05/1069872005.db2.gz UIYZVHYWBBMUNK-ZIAGYGMSSA-N 1 0 401.423 -0.227 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)n2)c1C ZINC000435093888 1069871777 /nfs/dbraw/zinc/87/17/77/1069871777.db2.gz HJZFLRFNGJQIQL-UHFFFAOYSA-N 1 0 401.471 0.449 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(CO)CC3(CCC3)C2)cn1 ZINC000435156200 1069876597 /nfs/dbraw/zinc/87/65/97/1069876597.db2.gz AQXDGKKTHMCBTC-UHFFFAOYSA-N 1 0 420.514 -0.442 20 0 HBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[C@H](C)O1 ZINC000435163327 1069879556 /nfs/dbraw/zinc/87/95/56/1069879556.db2.gz XZXDLHGXJVWIIO-GASCZTMLSA-N 1 0 418.498 -0.476 20 0 HBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000435164165 1069879430 /nfs/dbraw/zinc/87/94/30/1069879430.db2.gz GVUZVMRODHDPPP-UHFFFAOYSA-N 1 0 422.530 -0.277 20 0 HBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC000435164965 1069879625 /nfs/dbraw/zinc/87/96/25/1069879625.db2.gz IIPYBPNTYFEQTD-OKILXGFUSA-N 1 0 419.482 -0.592 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000435165316 1069879485 /nfs/dbraw/zinc/87/94/85/1069879485.db2.gz KOLSKCMNABMTNO-GASCZTMLSA-N 1 0 424.502 -0.848 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000435189255 1069881681 /nfs/dbraw/zinc/88/16/81/1069881681.db2.gz ACAQTZRLCQWHKP-CYBMUJFWSA-N 1 0 417.557 -0.026 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000435189256 1069882001 /nfs/dbraw/zinc/88/20/01/1069882001.db2.gz ACAQTZRLCQWHKP-ZDUSSCGKSA-N 1 0 417.557 -0.026 20 0 HBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000435189273 1069881928 /nfs/dbraw/zinc/88/19/28/1069881928.db2.gz AFSYKDVLCSIWGJ-HNNXBMFYSA-N 1 0 411.503 -0.573 20 0 HBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000435189274 1069881755 /nfs/dbraw/zinc/88/17/55/1069881755.db2.gz AFSYKDVLCSIWGJ-OAHLLOKOSA-N 1 0 411.503 -0.573 20 0 HBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000435189905 1069881492 /nfs/dbraw/zinc/88/14/92/1069881492.db2.gz DELYAZKKUWOEQH-INIZCTEOSA-N 1 0 411.547 -0.029 20 0 HBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000435189906 1069881606 /nfs/dbraw/zinc/88/16/06/1069881606.db2.gz DELYAZKKUWOEQH-MRXNPFEDSA-N 1 0 411.547 -0.029 20 0 HBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000435201285 1069604812 /nfs/dbraw/zinc/60/48/12/1069604812.db2.gz FTNVNJDDCLATFN-HNNXBMFYSA-N 1 0 418.479 0.232 20 0 HBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000435201286 1069604742 /nfs/dbraw/zinc/60/47/42/1069604742.db2.gz FTNVNJDDCLATFN-OAHLLOKOSA-N 1 0 418.479 0.232 20 0 HBADRO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000435209192 1069888575 /nfs/dbraw/zinc/88/85/75/1069888575.db2.gz VQFRRCKWSFIIRJ-HRAATJIYSA-N 1 0 420.510 -0.093 20 0 HBADRO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000435209193 1069888199 /nfs/dbraw/zinc/88/81/99/1069888199.db2.gz VQFRRCKWSFIIRJ-IERDGZPVSA-N 1 0 420.510 -0.093 20 0 HBADRO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000435209194 1069888280 /nfs/dbraw/zinc/88/82/80/1069888280.db2.gz VQFRRCKWSFIIRJ-IIBYNOLFSA-N 1 0 420.510 -0.093 20 0 HBADRO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000435209195 1069888482 /nfs/dbraw/zinc/88/84/82/1069888482.db2.gz VQFRRCKWSFIIRJ-KKSFZXQISA-N 1 0 420.510 -0.093 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)ccc2oc1=O ZINC000435212625 1069889110 /nfs/dbraw/zinc/88/91/10/1069889110.db2.gz GTYUQEVZNAJUAY-CYBMUJFWSA-N 1 0 403.439 -0.121 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)ccc2oc1=O ZINC000435212626 1069888990 /nfs/dbraw/zinc/88/89/90/1069888990.db2.gz GTYUQEVZNAJUAY-ZDUSSCGKSA-N 1 0 403.439 -0.121 20 0 HBADRO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000435216919 1069885904 /nfs/dbraw/zinc/88/59/04/1069885904.db2.gz MLOJPGAGLHYYAO-BLVKFPJESA-N 1 0 406.439 -0.249 20 0 HBADRO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000435216920 1069886312 /nfs/dbraw/zinc/88/63/12/1069886312.db2.gz MLOJPGAGLHYYAO-BUXKBTBVSA-N 1 0 406.439 -0.249 20 0 HBADRO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000435216921 1069886002 /nfs/dbraw/zinc/88/60/02/1069886002.db2.gz MLOJPGAGLHYYAO-CWTRNNRKSA-N 1 0 406.439 -0.249 20 0 HBADRO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000435216922 1069886143 /nfs/dbraw/zinc/88/61/43/1069886143.db2.gz MLOJPGAGLHYYAO-HXPMCKFVSA-N 1 0 406.439 -0.249 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)ccc2oc1=O ZINC000435249354 1069892588 /nfs/dbraw/zinc/89/25/88/1069892588.db2.gz MLKYARVLVBIFKX-FQEVSTJZSA-N 1 0 415.450 -0.167 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc2oc1=O ZINC000435249355 1069892947 /nfs/dbraw/zinc/89/29/47/1069892947.db2.gz MLKYARVLVBIFKX-HXUWFJFHSA-N 1 0 415.450 -0.167 20 0 HBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)n2)c1C ZINC000435316959 1069901961 /nfs/dbraw/zinc/90/19/61/1069901961.db2.gz BHUHXPOXGBZKFP-GASCZTMLSA-N 1 0 413.482 0.305 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000435465721 1069912659 /nfs/dbraw/zinc/91/26/59/1069912659.db2.gz QOVWXMGIPJKDCY-UHFFFAOYSA-N 1 0 406.487 -0.294 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000435475072 1069912743 /nfs/dbraw/zinc/91/27/43/1069912743.db2.gz ZHDWLFSOTDSMOZ-CABCVRRESA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000435475073 1069912853 /nfs/dbraw/zinc/91/28/53/1069912853.db2.gz ZHDWLFSOTDSMOZ-GJZGRUSLSA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000435475074 1069912879 /nfs/dbraw/zinc/91/28/79/1069912879.db2.gz ZHDWLFSOTDSMOZ-HUUCEWRRSA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000435475075 1069912714 /nfs/dbraw/zinc/91/27/14/1069912714.db2.gz ZHDWLFSOTDSMOZ-LSDHHAIUSA-N 1 0 401.533 -0.464 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000435510025 1069914789 /nfs/dbraw/zinc/91/47/89/1069914789.db2.gz FROMCHVRKDKAJC-IBGZPJMESA-N 1 0 421.542 -0.188 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000435510026 1069914978 /nfs/dbraw/zinc/91/49/78/1069914978.db2.gz FROMCHVRKDKAJC-LJQANCHMSA-N 1 0 421.542 -0.188 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000435534430 1069291072 /nfs/dbraw/zinc/29/10/72/1069291072.db2.gz NBFDLVCQBVKBFL-MOPGFXCFSA-N 1 0 407.559 -0.452 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000435574914 1069919850 /nfs/dbraw/zinc/91/98/50/1069919850.db2.gz BJZCQOUIDMFAPK-GOSISDBHSA-N 1 0 406.531 -0.332 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000435574915 1069919751 /nfs/dbraw/zinc/91/97/51/1069919751.db2.gz BJZCQOUIDMFAPK-SFHVURJKSA-N 1 0 406.531 -0.332 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000435585365 1069921733 /nfs/dbraw/zinc/92/17/33/1069921733.db2.gz TXXMTDPIBJGRBJ-GOSISDBHSA-N 1 0 406.531 -0.332 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000435585366 1069921840 /nfs/dbraw/zinc/92/18/40/1069921840.db2.gz TXXMTDPIBJGRBJ-SFHVURJKSA-N 1 0 406.531 -0.332 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000435620848 1069924914 /nfs/dbraw/zinc/92/49/14/1069924914.db2.gz GOPADDICBJFQPU-GOSISDBHSA-N 1 0 406.531 -0.332 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000435620849 1069925221 /nfs/dbraw/zinc/92/52/21/1069925221.db2.gz GOPADDICBJFQPU-SFHVURJKSA-N 1 0 406.531 -0.332 20 0 HBADRO CNc1nc(NCC2([S@@](C)=O)CCC2)nc(NCC2([S@@](C)=O)CCC2)[nH+]1 ZINC000435663469 1069926777 /nfs/dbraw/zinc/92/67/77/1069926777.db2.gz OKGHKFQMVTWUMJ-CLJLJLNGSA-N 1 0 400.574 -0.395 20 0 HBADRO CNc1nc(NCC2([S@](C)=O)CCC2)nc(NCC2([S@](C)=O)CCC2)[nH+]1 ZINC000435663470 1069926791 /nfs/dbraw/zinc/92/67/91/1069926791.db2.gz OKGHKFQMVTWUMJ-UIOOFZCWSA-N 1 0 400.574 -0.395 20 0 HBADRO CNc1nc(NCC2([S@](C)=O)CCC2)nc(NCC2([S@@](C)=O)CCC2)[nH+]1 ZINC000435663471 1069926553 /nfs/dbraw/zinc/92/65/53/1069926553.db2.gz OKGHKFQMVTWUMJ-WMPKNSHKSA-N 1 0 400.574 -0.395 20 0 HBADRO COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000435738910 1069930664 /nfs/dbraw/zinc/93/06/64/1069930664.db2.gz UPPFHCMPHATWCR-AWEZNQCLSA-N 1 0 408.459 -0.947 20 0 HBADRO COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000435738911 1069930592 /nfs/dbraw/zinc/93/05/92/1069930592.db2.gz UPPFHCMPHATWCR-CQSZACIVSA-N 1 0 408.459 -0.947 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894386 1069941169 /nfs/dbraw/zinc/94/11/69/1069941169.db2.gz SLXZOKKJHLBHOL-CABCVRRESA-N 1 0 417.514 -0.254 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894387 1069941351 /nfs/dbraw/zinc/94/13/51/1069941351.db2.gz SLXZOKKJHLBHOL-GJZGRUSLSA-N 1 0 417.514 -0.254 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894388 1069941283 /nfs/dbraw/zinc/94/12/83/1069941283.db2.gz SLXZOKKJHLBHOL-HUUCEWRRSA-N 1 0 417.514 -0.254 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894389 1069941380 /nfs/dbraw/zinc/94/13/80/1069941380.db2.gz SLXZOKKJHLBHOL-LSDHHAIUSA-N 1 0 417.514 -0.254 20 0 HBADRO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000435936734 1069944194 /nfs/dbraw/zinc/94/41/94/1069944194.db2.gz NINCHWOHAPILSZ-WBVHZDCISA-N 1 0 414.503 -0.687 20 0 HBADRO CN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)S(=O)(=O)c1cccs1 ZINC000436037227 1069952592 /nfs/dbraw/zinc/95/25/92/1069952592.db2.gz UGFQDJXEVAYCLP-CYBMUJFWSA-N 1 0 402.542 -0.105 20 0 HBADRO CN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)S(=O)(=O)c1cccs1 ZINC000436037228 1069952253 /nfs/dbraw/zinc/95/22/53/1069952253.db2.gz UGFQDJXEVAYCLP-ZDUSSCGKSA-N 1 0 402.542 -0.105 20 0 HBADRO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1CC(C)(C)O ZINC000436077821 1069956261 /nfs/dbraw/zinc/95/62/61/1069956261.db2.gz VZTKDYHHWLNWCL-AWEZNQCLSA-N 1 0 408.590 -0.148 20 0 HBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1CC(C)(C)O ZINC000436077835 1069956203 /nfs/dbraw/zinc/95/62/03/1069956203.db2.gz VZTKDYHHWLNWCL-CQSZACIVSA-N 1 0 408.590 -0.148 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000436080638 1069954696 /nfs/dbraw/zinc/95/46/96/1069954696.db2.gz VSNNOYZBGYLCCA-AWEZNQCLSA-N 1 0 408.590 -0.148 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000436080639 1069955465 /nfs/dbraw/zinc/95/54/65/1069955465.db2.gz VSNNOYZBGYLCCA-CQSZACIVSA-N 1 0 408.590 -0.148 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)s1 ZINC000436112687 1069959504 /nfs/dbraw/zinc/95/95/04/1069959504.db2.gz WUTDRBMSHXVBLF-CYBMUJFWSA-N 1 0 402.542 -0.139 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)s1 ZINC000436112688 1069959236 /nfs/dbraw/zinc/95/92/36/1069959236.db2.gz WUTDRBMSHXVBLF-ZDUSSCGKSA-N 1 0 402.542 -0.139 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000436135598 1069960132 /nfs/dbraw/zinc/96/01/32/1069960132.db2.gz RIPVQVQSTTURAT-CVEARBPZSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000436135599 1069960276 /nfs/dbraw/zinc/96/02/76/1069960276.db2.gz RIPVQVQSTTURAT-HOTGVXAUSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000436135600 1069960432 /nfs/dbraw/zinc/96/04/32/1069960432.db2.gz RIPVQVQSTTURAT-HZPDHXFCSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000436135601 1069960202 /nfs/dbraw/zinc/96/02/02/1069960202.db2.gz RIPVQVQSTTURAT-JKSUJKDBSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[N@@H+]1CC(C)(C)O ZINC000436153742 1069960935 /nfs/dbraw/zinc/96/09/35/1069960935.db2.gz KAOSZUSUBVGXCJ-CVEARBPZSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[N@@H+]1CC(C)(C)O ZINC000436153743 1069961103 /nfs/dbraw/zinc/96/11/03/1069961103.db2.gz KAOSZUSUBVGXCJ-HOTGVXAUSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[N@@H+]1CC(C)(C)O ZINC000436153744 1069961078 /nfs/dbraw/zinc/96/10/78/1069961078.db2.gz KAOSZUSUBVGXCJ-HZPDHXFCSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[N@@H+]1CC(C)(C)O ZINC000436153745 1069960968 /nfs/dbraw/zinc/96/09/68/1069960968.db2.gz KAOSZUSUBVGXCJ-JKSUJKDBSA-N 1 0 420.576 -0.039 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000436199906 1069961718 /nfs/dbraw/zinc/96/17/18/1069961718.db2.gz DDQUHHBMHTXCOC-CYBMUJFWSA-N 1 0 403.505 -0.419 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000436199910 1069962154 /nfs/dbraw/zinc/96/21/54/1069962154.db2.gz DDQUHHBMHTXCOC-ZDUSSCGKSA-N 1 0 403.505 -0.419 20 0 HBADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[N@@H+]1CC(C)(C)O ZINC000436207105 1069963015 /nfs/dbraw/zinc/96/30/15/1069963015.db2.gz WLECRBMBTCQHJD-CYBMUJFWSA-N 1 0 403.505 -0.419 20 0 HBADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[N@@H+]1CC(C)(C)O ZINC000436207107 1069962813 /nfs/dbraw/zinc/96/28/13/1069962813.db2.gz WLECRBMBTCQHJD-ZDUSSCGKSA-N 1 0 403.505 -0.419 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000436207879 1069962877 /nfs/dbraw/zinc/96/28/77/1069962877.db2.gz HTACBAVXANTSLX-INIZCTEOSA-N 1 0 409.535 -0.073 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000436207880 1069962651 /nfs/dbraw/zinc/96/26/51/1069962651.db2.gz HTACBAVXANTSLX-MRXNPFEDSA-N 1 0 409.535 -0.073 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000436214557 1069964625 /nfs/dbraw/zinc/96/46/25/1069964625.db2.gz AQUKUCQVMPIPBD-UHFFFAOYSA-N 1 0 407.515 -0.731 20 0 HBADRO Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000436247487 1069966109 /nfs/dbraw/zinc/96/61/09/1069966109.db2.gz OZAUSNRQGBYZGV-CYBMUJFWSA-N 1 0 405.455 -0.083 20 0 HBADRO Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000436247492 1069966329 /nfs/dbraw/zinc/96/63/29/1069966329.db2.gz OZAUSNRQGBYZGV-ZDUSSCGKSA-N 1 0 405.455 -0.083 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000436266244 1069968957 /nfs/dbraw/zinc/96/89/57/1069968957.db2.gz ZUZVMZJGFMOLRI-HNNXBMFYSA-N 1 0 423.518 -0.369 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000436266247 1069968868 /nfs/dbraw/zinc/96/88/68/1069968868.db2.gz ZUZVMZJGFMOLRI-OAHLLOKOSA-N 1 0 423.518 -0.369 20 0 HBADRO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000436275602 1069295561 /nfs/dbraw/zinc/29/55/61/1069295561.db2.gz PGBTXGGLCCCILX-IBGZPJMESA-N 1 0 418.542 -0.169 20 0 HBADRO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000436275612 1069295606 /nfs/dbraw/zinc/29/56/06/1069295606.db2.gz PGBTXGGLCCCILX-LJQANCHMSA-N 1 0 418.542 -0.169 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1)N1CCOCC1 ZINC000436331536 1069295498 /nfs/dbraw/zinc/29/54/98/1069295498.db2.gz NTBYXFPXARVDTR-UHFFFAOYSA-N 1 0 418.542 -0.402 20 0 HBADRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000436354094 1069972547 /nfs/dbraw/zinc/97/25/47/1069972547.db2.gz PHOCFYALPKTXBJ-ZBFHGGJFSA-N 1 0 403.476 -0.356 20 0 HBADRO CN(C)S(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000436511139 1069987771 /nfs/dbraw/zinc/98/77/71/1069987771.db2.gz KGOKICXLBPBIEF-UHFFFAOYSA-N 1 0 414.532 -0.827 20 0 HBADRO CNS(=O)(=O)NC1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000436511263 1069986643 /nfs/dbraw/zinc/98/66/43/1069986643.db2.gz IFDRNACMVPTSNM-AWEZNQCLSA-N 1 0 403.549 -0.285 20 0 HBADRO CNS(=O)(=O)NC1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000436511275 1069987727 /nfs/dbraw/zinc/98/77/27/1069987727.db2.gz IFDRNACMVPTSNM-CQSZACIVSA-N 1 0 403.549 -0.285 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436511718 1069986562 /nfs/dbraw/zinc/98/65/62/1069986562.db2.gz JHMFXZDDERVQDQ-HNNXBMFYSA-N 1 0 404.581 -0.512 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436511726 1069986758 /nfs/dbraw/zinc/98/67/58/1069986758.db2.gz JHMFXZDDERVQDQ-OAHLLOKOSA-N 1 0 404.581 -0.512 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436515066 1069988212 /nfs/dbraw/zinc/98/82/12/1069988212.db2.gz UFSCYVUDDKTFNF-UHFFFAOYSA-N 1 0 404.581 -0.368 20 0 HBADRO C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)NCC[NH+]1CCCCC1 ZINC000436555313 1069990070 /nfs/dbraw/zinc/99/00/70/1069990070.db2.gz LVJYQANGTOCIIH-GFCCVEGCSA-N 1 0 419.486 -0.598 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCNC(=O)c3ccc(O)cc3)n2)CC1 ZINC000436795719 1069553043 /nfs/dbraw/zinc/55/30/43/1069553043.db2.gz ZXKDQXZOYKORAC-UHFFFAOYSA-N 1 0 414.466 0.340 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1S(C)(=O)=O ZINC000436809167 1069556620 /nfs/dbraw/zinc/55/66/20/1069556620.db2.gz JHEFRSSPFKSZQM-ZDUSSCGKSA-N 1 0 412.516 -0.419 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000436815833 1069559412 /nfs/dbraw/zinc/55/94/12/1069559412.db2.gz MENZQVJUXZRKIA-AWEZNQCLSA-N 1 0 406.487 -0.379 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000436815834 1069539468 /nfs/dbraw/zinc/53/94/68/1069539468.db2.gz MENZQVJUXZRKIA-CQSZACIVSA-N 1 0 406.487 -0.379 20 0 HBADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000436867259 1069550028 /nfs/dbraw/zinc/55/00/28/1069550028.db2.gz CKGOGWCRIXBMEO-OAHLLOKOSA-N 1 0 400.483 0.547 20 0 HBADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000436871671 1070013365 /nfs/dbraw/zinc/01/33/65/1070013365.db2.gz RGCCWCZJQZJIEP-CQSZACIVSA-N 1 0 401.471 -0.059 20 0 HBADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000436967377 1070019950 /nfs/dbraw/zinc/01/99/50/1070019950.db2.gz PBVNUBKWZSOPFE-NVXWUHKLSA-N 1 0 404.515 0.410 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000437072102 1070028612 /nfs/dbraw/zinc/02/86/12/1070028612.db2.gz AHFJYRBWPOMOSP-HNNXBMFYSA-N 1 0 405.503 0.218 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000437072105 1069541771 /nfs/dbraw/zinc/54/17/71/1069541771.db2.gz AHFJYRBWPOMOSP-OAHLLOKOSA-N 1 0 405.503 0.218 20 0 HBADRO CCc1ccnc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000437074535 1070028105 /nfs/dbraw/zinc/02/81/05/1070028105.db2.gz JDVQVEIQJRXZFY-UHFFFAOYSA-N 1 0 401.471 -0.227 20 0 HBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000437150382 1070034332 /nfs/dbraw/zinc/03/43/32/1070034332.db2.gz CZZILZFPEFPYLJ-UHFFFAOYSA-N 1 0 417.510 -0.310 20 0 HBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000437158016 1070035892 /nfs/dbraw/zinc/03/58/92/1070035892.db2.gz WMBBUMPWAXPVBW-UHFFFAOYSA-N 1 0 419.482 -0.168 20 0 HBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000437170484 1070035851 /nfs/dbraw/zinc/03/58/51/1070035851.db2.gz KLGPXOIMARXNFR-UHFFFAOYSA-N 1 0 419.482 -0.190 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c(C)c2)CC1 ZINC000437198391 1070038927 /nfs/dbraw/zinc/03/89/27/1070038927.db2.gz ODJQKACQZNRROY-AWEZNQCLSA-N 1 0 411.528 -0.131 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)c2)CC1 ZINC000437198392 1070038850 /nfs/dbraw/zinc/03/88/50/1070038850.db2.gz ODJQKACQZNRROY-CQSZACIVSA-N 1 0 411.528 -0.131 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000437223066 1070040136 /nfs/dbraw/zinc/04/01/36/1070040136.db2.gz ZQJLBYWLWCNNEQ-UHFFFAOYSA-N 1 0 419.461 0.034 20 0 HBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000437234046 1070040860 /nfs/dbraw/zinc/04/08/60/1070040860.db2.gz GYZWYZGBRKCFAB-UHFFFAOYSA-N 1 0 416.482 -0.097 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000437237204 1069306557 /nfs/dbraw/zinc/30/65/57/1069306557.db2.gz YNIKSBXZKSVTTL-UHFFFAOYSA-N 1 0 422.530 -0.369 20 0 HBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000437247577 1070042734 /nfs/dbraw/zinc/04/27/34/1070042734.db2.gz PVRKWCWOSHMAER-UHFFFAOYSA-N 1 0 406.531 0.487 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000437250389 1070042347 /nfs/dbraw/zinc/04/23/47/1070042347.db2.gz XREZTEFUPJRKGO-GDBMZVCRSA-N 1 0 411.528 -0.312 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000437250391 1070042542 /nfs/dbraw/zinc/04/25/42/1070042542.db2.gz XREZTEFUPJRKGO-GOEBONIOSA-N 1 0 411.528 -0.312 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000437250394 1070042442 /nfs/dbraw/zinc/04/24/42/1070042442.db2.gz XREZTEFUPJRKGO-HOCLYGCPSA-N 1 0 411.528 -0.312 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000437250397 1070042280 /nfs/dbraw/zinc/04/22/80/1070042280.db2.gz XREZTEFUPJRKGO-ZBFHGGJFSA-N 1 0 411.528 -0.312 20 0 HBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000437264914 1070043039 /nfs/dbraw/zinc/04/30/39/1070043039.db2.gz AIXPUMGAHDRBIV-HNNXBMFYSA-N 1 0 406.487 -0.519 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000437264915 1070043446 /nfs/dbraw/zinc/04/34/46/1070043446.db2.gz AIXPUMGAHDRBIV-OAHLLOKOSA-N 1 0 406.487 -0.519 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000437270137 1070043359 /nfs/dbraw/zinc/04/33/59/1070043359.db2.gz QVGWRDMMWYWZHV-GFCCVEGCSA-N 1 0 402.455 -0.629 20 0 HBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000437270140 1070043397 /nfs/dbraw/zinc/04/33/97/1070043397.db2.gz QVGWRDMMWYWZHV-LBPRGKRZSA-N 1 0 402.455 -0.629 20 0 HBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000437290283 1070044976 /nfs/dbraw/zinc/04/49/76/1070044976.db2.gz RGBABDUCEUOBNL-INIZCTEOSA-N 1 0 419.530 0.419 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000437290293 1070044847 /nfs/dbraw/zinc/04/48/47/1070044847.db2.gz RGBABDUCEUOBNL-MRXNPFEDSA-N 1 0 419.530 0.419 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000437326907 1070049531 /nfs/dbraw/zinc/04/95/31/1070049531.db2.gz JQDXFFTXUNPVMG-KRWDZBQOSA-N 1 0 423.539 -0.348 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000437326909 1070049462 /nfs/dbraw/zinc/04/94/62/1070049462.db2.gz JQDXFFTXUNPVMG-QGZVFWFLSA-N 1 0 423.539 -0.348 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000437352187 1070054159 /nfs/dbraw/zinc/05/41/59/1070054159.db2.gz BYLNRZHCQCJMOM-AWEZNQCLSA-N 1 0 412.516 -0.242 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000437352188 1070054382 /nfs/dbraw/zinc/05/43/82/1070054382.db2.gz BYLNRZHCQCJMOM-CQSZACIVSA-N 1 0 412.516 -0.242 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cn1 ZINC000437356702 1070054888 /nfs/dbraw/zinc/05/48/88/1070054888.db2.gz DESZEBGQFYTXKW-UHFFFAOYSA-N 1 0 415.454 -0.746 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000437413850 1070059992 /nfs/dbraw/zinc/05/99/92/1070059992.db2.gz SDIKLJKNYGARHB-GFCCVEGCSA-N 1 0 403.530 -0.335 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000437413852 1070059898 /nfs/dbraw/zinc/05/98/98/1070059898.db2.gz SDIKLJKNYGARHB-LBPRGKRZSA-N 1 0 403.530 -0.335 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000437424995 1070060561 /nfs/dbraw/zinc/06/05/61/1070060561.db2.gz HSIIZXPURJJUKV-UHFFFAOYSA-N 1 0 405.499 -0.026 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000437454935 1070062956 /nfs/dbraw/zinc/06/29/56/1070062956.db2.gz RNIXCKIVHIRFDL-UHFFFAOYSA-N 1 0 407.519 -0.026 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000437465618 1070064169 /nfs/dbraw/zinc/06/41/69/1070064169.db2.gz DZXDMTHPIITODR-UHFFFAOYSA-N 1 0 405.499 -0.026 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000437469300 1070064605 /nfs/dbraw/zinc/06/46/05/1070064605.db2.gz ROAHRKHBLDANSR-UHFFFAOYSA-N 1 0 411.528 -0.092 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000437481244 1069626696 /nfs/dbraw/zinc/62/66/96/1069626696.db2.gz XCXQWIGHZDUBRA-UHFFFAOYSA-N 1 0 408.503 0.020 20 0 HBADRO CN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000437497449 1070066417 /nfs/dbraw/zinc/06/64/17/1070066417.db2.gz DFVFSRJBRXDVCD-AWEZNQCLSA-N 1 0 414.503 -0.028 20 0 HBADRO CN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000437497452 1070066282 /nfs/dbraw/zinc/06/62/82/1070066282.db2.gz DFVFSRJBRXDVCD-CQSZACIVSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1C ZINC000437510410 1069559234 /nfs/dbraw/zinc/55/92/34/1069559234.db2.gz ZVVCMIMQWUBYSR-UHFFFAOYSA-N 1 0 404.471 0.368 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)o1 ZINC000437525844 1070067147 /nfs/dbraw/zinc/06/71/47/1070067147.db2.gz HYIZHZCGYMXZJD-UHFFFAOYSA-N 1 0 404.471 0.402 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCC(O)CC3)nc2n(C)c1=O ZINC000437702141 1069666434 /nfs/dbraw/zinc/66/64/34/1069666434.db2.gz HPMMRROVBBLQAP-UHFFFAOYSA-N 1 0 418.498 -0.046 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2c(=O)n(C)c1=O ZINC000437739492 1070078547 /nfs/dbraw/zinc/07/85/47/1070078547.db2.gz XHSSSLDBYOCRKS-ILXRZTDVSA-N 1 0 418.498 -0.466 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2c(=O)n(C)c1=O ZINC000437739498 1070078502 /nfs/dbraw/zinc/07/85/02/1070078502.db2.gz XHSSSLDBYOCRKS-KFWWJZLASA-N 1 0 418.498 -0.466 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2c(=O)n(C)c1=O ZINC000437739501 1070078708 /nfs/dbraw/zinc/07/87/08/1070078708.db2.gz XHSSSLDBYOCRKS-QLFBSQMISA-N 1 0 418.498 -0.466 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2c(=O)n(C)c1=O ZINC000437739506 1070078524 /nfs/dbraw/zinc/07/85/24/1070078524.db2.gz XHSSSLDBYOCRKS-RBSFLKMASA-N 1 0 418.498 -0.466 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000437741896 1070078591 /nfs/dbraw/zinc/07/85/91/1070078591.db2.gz DPXHQGUJVKYTED-CABCVRRESA-N 1 0 408.503 -0.227 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000437741901 1070078726 /nfs/dbraw/zinc/07/87/26/1070078726.db2.gz DPXHQGUJVKYTED-GJZGRUSLSA-N 1 0 408.503 -0.227 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000437741902 1070078612 /nfs/dbraw/zinc/07/86/12/1070078612.db2.gz DPXHQGUJVKYTED-HUUCEWRRSA-N 1 0 408.503 -0.227 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000437741904 1070078359 /nfs/dbraw/zinc/07/83/59/1070078359.db2.gz DPXHQGUJVKYTED-LSDHHAIUSA-N 1 0 408.503 -0.227 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000437745114 1070079113 /nfs/dbraw/zinc/07/91/13/1070079113.db2.gz KRFCWIDKXBOZGJ-MANSERQUSA-N 1 0 408.543 -0.123 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000437745115 1070079374 /nfs/dbraw/zinc/07/93/74/1070079374.db2.gz KRFCWIDKXBOZGJ-MKXGPGLRSA-N 1 0 408.543 -0.123 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000437745116 1070079251 /nfs/dbraw/zinc/07/92/51/1070079251.db2.gz KRFCWIDKXBOZGJ-NCXUSEDFSA-N 1 0 408.543 -0.123 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000437745117 1070079009 /nfs/dbraw/zinc/07/90/09/1070079009.db2.gz KRFCWIDKXBOZGJ-WJFTUGDTSA-N 1 0 408.543 -0.123 20 0 HBADRO CN(CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1ccc(F)cc1 ZINC000437761665 1070079682 /nfs/dbraw/zinc/07/96/82/1070079682.db2.gz SKKGSVPOYLNEKX-HNNXBMFYSA-N 1 0 401.508 -0.009 20 0 HBADRO CN(CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1ccc(F)cc1 ZINC000437761669 1070079886 /nfs/dbraw/zinc/07/98/86/1070079886.db2.gz SKKGSVPOYLNEKX-OAHLLOKOSA-N 1 0 401.508 -0.009 20 0 HBADRO C[C@@]1(C2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)NC(=O)NC1=O ZINC000437902545 1070089497 /nfs/dbraw/zinc/08/94/97/1070089497.db2.gz BBYBUBZPLYFDPN-FQEVSTJZSA-N 1 0 415.498 -0.175 20 0 HBADRO C[C@]1(C2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)NC(=O)NC1=O ZINC000437902547 1070089639 /nfs/dbraw/zinc/08/96/39/1070089639.db2.gz BBYBUBZPLYFDPN-HXUWFJFHSA-N 1 0 415.498 -0.175 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)c(=O)n2C ZINC000437939736 1070091383 /nfs/dbraw/zinc/09/13/83/1070091383.db2.gz GEENGMNZSYYHRE-HZSPNIEDSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]31)c(=O)n2C ZINC000437939738 1070091169 /nfs/dbraw/zinc/09/11/69/1070091169.db2.gz GEENGMNZSYYHRE-MCIONIFRSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)c(=O)n2C ZINC000437939740 1070091493 /nfs/dbraw/zinc/09/14/93/1070091493.db2.gz GEENGMNZSYYHRE-MGPQQGTHSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]31)c(=O)n2C ZINC000437939742 1070091215 /nfs/dbraw/zinc/09/12/15/1070091215.db2.gz GEENGMNZSYYHRE-RDBSUJKOSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)nc2n(C)c1=O ZINC000437940857 1070091400 /nfs/dbraw/zinc/09/14/00/1070091400.db2.gz KJEGWQAUOHZTEO-DAXOMENPSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)nc2n(C)c1=O ZINC000437940858 1070091325 /nfs/dbraw/zinc/09/13/25/1070091325.db2.gz KJEGWQAUOHZTEO-KCXAZCMYSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)nc2n(C)c1=O ZINC000437940859 1070091546 /nfs/dbraw/zinc/09/15/46/1070091546.db2.gz KJEGWQAUOHZTEO-UHOFOFEASA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)nc2n(C)c1=O ZINC000437940860 1070091308 /nfs/dbraw/zinc/09/13/08/1070091308.db2.gz KJEGWQAUOHZTEO-WQVCFCJDSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc2n(C)c1=O ZINC000437942037 1070091475 /nfs/dbraw/zinc/09/14/75/1070091475.db2.gz SNSGYYIYTKSSRI-BMFZPTHFSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc2n(C)c1=O ZINC000437942038 1070091915 /nfs/dbraw/zinc/09/19/15/1070091915.db2.gz SNSGYYIYTKSSRI-FVQBIDKESA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc2n(C)c1=O ZINC000437942039 1070092183 /nfs/dbraw/zinc/09/21/83/1070092183.db2.gz SNSGYYIYTKSSRI-KBMXLJTQSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc2n(C)c1=O ZINC000437942040 1070091976 /nfs/dbraw/zinc/09/19/76/1070091976.db2.gz SNSGYYIYTKSSRI-VNQPRFMTSA-N 1 0 401.467 -0.044 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(=O)n(C)c1=O ZINC000437958285 1070094124 /nfs/dbraw/zinc/09/41/24/1070094124.db2.gz RWBNBIIPUWLRQI-BMFZPTHFSA-N 1 0 403.483 -0.251 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(=O)n(C)c1=O ZINC000437958289 1070094021 /nfs/dbraw/zinc/09/40/21/1070094021.db2.gz RWBNBIIPUWLRQI-FVQBIDKESA-N 1 0 403.483 -0.251 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000437958291 1070094138 /nfs/dbraw/zinc/09/41/38/1070094138.db2.gz RWBNBIIPUWLRQI-KBMXLJTQSA-N 1 0 403.483 -0.251 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000437958294 1070093911 /nfs/dbraw/zinc/09/39/11/1070093911.db2.gz RWBNBIIPUWLRQI-VNQPRFMTSA-N 1 0 403.483 -0.251 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000438003933 1070098623 /nfs/dbraw/zinc/09/86/23/1070098623.db2.gz YFFFCMDSDWDMEX-CYBMUJFWSA-N 1 0 417.557 -0.087 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000438003934 1070098544 /nfs/dbraw/zinc/09/85/44/1070098544.db2.gz YFFFCMDSDWDMEX-ZDUSSCGKSA-N 1 0 417.557 -0.087 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000438294109 1070123426 /nfs/dbraw/zinc/12/34/26/1070123426.db2.gz XGYZMBXWUWKQKB-ARFHVFGLSA-N 1 0 418.560 -0.469 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000438294112 1070123284 /nfs/dbraw/zinc/12/32/84/1070123284.db2.gz XGYZMBXWUWKQKB-BZUAXINKSA-N 1 0 418.560 -0.469 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000438294114 1070123421 /nfs/dbraw/zinc/12/34/21/1070123421.db2.gz XGYZMBXWUWKQKB-HRCADAONSA-N 1 0 418.560 -0.469 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000438294116 1070123318 /nfs/dbraw/zinc/12/33/18/1070123318.db2.gz XGYZMBXWUWKQKB-OWCLPIDISA-N 1 0 418.560 -0.469 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000438311888 1069543943 /nfs/dbraw/zinc/54/39/43/1069543943.db2.gz MCYLQNLMRULOOF-INIZCTEOSA-N 1 0 408.503 0.316 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000438311889 1070126852 /nfs/dbraw/zinc/12/68/52/1070126852.db2.gz MCYLQNLMRULOOF-MRXNPFEDSA-N 1 0 408.503 0.316 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000438311995 1069550703 /nfs/dbraw/zinc/55/07/03/1069550703.db2.gz NLRSLBAXNCJNNC-UHFFFAOYSA-N 1 0 421.546 0.232 20 0 HBADRO C[C@@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C[NH+]1CCN(C)CC1 ZINC000438319740 1069661757 /nfs/dbraw/zinc/66/17/57/1069661757.db2.gz ANIVDDQLPHDPTB-INIZCTEOSA-N 1 0 407.519 -0.253 20 0 HBADRO C[C@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C[NH+]1CCN(C)CC1 ZINC000438319743 1070128675 /nfs/dbraw/zinc/12/86/75/1070128675.db2.gz ANIVDDQLPHDPTB-MRXNPFEDSA-N 1 0 407.519 -0.253 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438320463 1070128395 /nfs/dbraw/zinc/12/83/95/1070128395.db2.gz JNHPJOUAEXICPS-KRWDZBQOSA-N 1 0 421.546 0.280 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438320466 1070128717 /nfs/dbraw/zinc/12/87/17/1070128717.db2.gz JNHPJOUAEXICPS-QGZVFWFLSA-N 1 0 421.546 0.280 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438325332 1070129297 /nfs/dbraw/zinc/12/92/97/1070129297.db2.gz GPJJNPRBILEUGG-UHFFFAOYSA-N 1 0 421.546 0.233 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438326933 1070130384 /nfs/dbraw/zinc/13/03/84/1070130384.db2.gz QDUHXLDGBGZWNP-INIZCTEOSA-N 1 0 407.519 -0.076 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438326937 1070130354 /nfs/dbraw/zinc/13/03/54/1070130354.db2.gz QDUHXLDGBGZWNP-MRXNPFEDSA-N 1 0 407.519 -0.076 20 0 HBADRO O=C(Cn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1)N1CCOCC1 ZINC000438328459 1070130299 /nfs/dbraw/zinc/13/02/99/1070130299.db2.gz SGWHHHNNSUJQRU-INIZCTEOSA-N 1 0 408.503 0.100 20 0 HBADRO O=C(Cn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1)N1CCOCC1 ZINC000438328462 1070130439 /nfs/dbraw/zinc/13/04/39/1070130439.db2.gz SGWHHHNNSUJQRU-MRXNPFEDSA-N 1 0 408.503 0.100 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000438329515 1069615448 /nfs/dbraw/zinc/61/54/48/1069615448.db2.gz WDCWAQGNVHPZTD-KRWDZBQOSA-N 1 0 421.546 0.137 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000438329516 1069616417 /nfs/dbraw/zinc/61/64/17/1069616417.db2.gz WDCWAQGNVHPZTD-QGZVFWFLSA-N 1 0 421.546 0.137 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)CC1 ZINC000438330023 1069616352 /nfs/dbraw/zinc/61/63/52/1069616352.db2.gz IJTCPGSQJZNPRF-GOSISDBHSA-N 1 0 405.547 0.459 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)CC1 ZINC000438330024 1069616389 /nfs/dbraw/zinc/61/63/89/1069616389.db2.gz IJTCPGSQJZNPRF-SFHVURJKSA-N 1 0 405.547 0.459 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438332867 1070127470 /nfs/dbraw/zinc/12/74/70/1070127470.db2.gz SGPBFFMNVDXJCQ-UHFFFAOYSA-N 1 0 419.530 -0.013 20 0 HBADRO COC(=O)Cn1ccc(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000438360147 1070132637 /nfs/dbraw/zinc/13/26/37/1070132637.db2.gz VRSVKLSYOFGUEA-UHFFFAOYSA-N 1 0 416.486 0.570 20 0 HBADRO O=C(NCCNS(=O)(=O)c1cccs1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000438441032 1070145590 /nfs/dbraw/zinc/14/55/90/1070145590.db2.gz FYHFLJUZRUOKLR-UHFFFAOYSA-N 1 0 420.476 0.362 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(=O)n2C ZINC000438559675 1070154933 /nfs/dbraw/zinc/15/49/33/1070154933.db2.gz BHOITBOLJYPLHM-NSHDSACASA-N 1 0 407.393 -0.569 20 0 HBADRO Cc1ccc(NC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1S(N)(=O)=O ZINC000438644644 1070162177 /nfs/dbraw/zinc/16/21/77/1070162177.db2.gz WIJBXTBOAWIHGR-UHFFFAOYSA-N 1 0 418.541 -0.063 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC2CCCCC2)n1 ZINC000438649417 1070162944 /nfs/dbraw/zinc/16/29/44/1070162944.db2.gz MLSIEBBLHWXJAV-UHFFFAOYSA-N 1 0 407.519 0.275 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCC[N@@H+]3CCCOCC3)CC2=O)c1 ZINC000438674105 1070166531 /nfs/dbraw/zinc/16/65/31/1070166531.db2.gz AIQSLTNCMVVKNK-AWEZNQCLSA-N 1 0 410.496 -0.475 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCC[N@@H+]3CCCOCC3)CC2=O)c1 ZINC000438674106 1070166424 /nfs/dbraw/zinc/16/64/24/1070166424.db2.gz AIQSLTNCMVVKNK-CQSZACIVSA-N 1 0 410.496 -0.475 20 0 HBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCCOCC2)s1 ZINC000438674491 1070166553 /nfs/dbraw/zinc/16/65/53/1070166553.db2.gz BDDZDYNJLQMNEK-UHFFFAOYSA-N 1 0 418.541 -0.499 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NCC[N@@H+]3CCCOCC3)nc2n(C)c1=O ZINC000438678446 1069666550 /nfs/dbraw/zinc/66/65/50/1069666550.db2.gz KQLNSAVDMLLSHI-UHFFFAOYSA-N 1 0 404.471 -0.171 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000438681577 1070168245 /nfs/dbraw/zinc/16/82/45/1070168245.db2.gz PRBMBYNELPMSDD-WBVHZDCISA-N 1 0 415.487 -0.212 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000438685203 1070165687 /nfs/dbraw/zinc/16/56/87/1070165687.db2.gz XUDQGAKPPWIDLG-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000438688489 1070168128 /nfs/dbraw/zinc/16/81/28/1070168128.db2.gz VZAOSFKZDOJUFN-BBWFWOEESA-N 1 0 415.556 -0.065 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000438688490 1070168096 /nfs/dbraw/zinc/16/80/96/1070168096.db2.gz VZAOSFKZDOJUFN-BRWVUGGUSA-N 1 0 415.556 -0.065 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000438688491 1070168387 /nfs/dbraw/zinc/16/83/87/1070168387.db2.gz VZAOSFKZDOJUFN-GVDBMIGSSA-N 1 0 415.556 -0.065 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000438688492 1070168465 /nfs/dbraw/zinc/16/84/65/1070168465.db2.gz VZAOSFKZDOJUFN-ZACQAIPSSA-N 1 0 415.556 -0.065 20 0 HBADRO NC(=O)CC[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000438689235 1070169313 /nfs/dbraw/zinc/16/93/13/1070169313.db2.gz VJDVKZQQAOTUHQ-INIZCTEOSA-N 1 0 402.451 -0.245 20 0 HBADRO NC(=O)CC[C@H](C(=O)NCC[N@@H+]1CCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000438689236 1070169270 /nfs/dbraw/zinc/16/92/70/1070169270.db2.gz VJDVKZQQAOTUHQ-MRXNPFEDSA-N 1 0 402.451 -0.245 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000438693649 1069546629 /nfs/dbraw/zinc/54/66/29/1069546629.db2.gz GEDQJWSXIVTKTR-UHFFFAOYSA-N 1 0 415.502 0.095 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438699090 1070170338 /nfs/dbraw/zinc/17/03/38/1070170338.db2.gz OZPMTIRZYJMUTQ-UHFFFAOYSA-N 1 0 424.527 0.379 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438703051 1070168220 /nfs/dbraw/zinc/16/82/20/1070168220.db2.gz VBOJMLKYYRBXEY-INIZCTEOSA-N 1 0 409.535 0.135 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438703052 1070168158 /nfs/dbraw/zinc/16/81/58/1070168158.db2.gz VBOJMLKYYRBXEY-MRXNPFEDSA-N 1 0 409.535 0.135 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000438706498 1070171938 /nfs/dbraw/zinc/17/19/38/1070171938.db2.gz SGGDLDOIHYTKTL-UHFFFAOYSA-N 1 0 423.499 0.113 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000438708151 1070171749 /nfs/dbraw/zinc/17/17/49/1070171749.db2.gz DIURIWVYWBALAW-UHFFFAOYSA-N 1 0 411.488 0.112 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000438710364 1070171907 /nfs/dbraw/zinc/17/19/07/1070171907.db2.gz AKUVYUSBWAWWKZ-INIZCTEOSA-N 1 0 406.487 -0.329 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000438710367 1070172054 /nfs/dbraw/zinc/17/20/54/1070172054.db2.gz AKUVYUSBWAWWKZ-MRXNPFEDSA-N 1 0 406.487 -0.329 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 ZINC000438711522 1070171818 /nfs/dbraw/zinc/17/18/18/1070171818.db2.gz OPAFJIGMCUCWAK-UHFFFAOYSA-N 1 0 413.482 0.338 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)CC2)no1 ZINC000438712497 1070172575 /nfs/dbraw/zinc/17/25/75/1070172575.db2.gz WXMSKHNHSYDZMA-UHFFFAOYSA-N 1 0 404.475 -0.627 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)S(N)(=O)=O ZINC000438712606 1070172701 /nfs/dbraw/zinc/17/27/01/1070172701.db2.gz FGDJXNREPJSUQG-AWEZNQCLSA-N 1 0 423.539 -0.050 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)S(N)(=O)=O ZINC000438712608 1070172619 /nfs/dbraw/zinc/17/26/19/1070172619.db2.gz FGDJXNREPJSUQG-CQSZACIVSA-N 1 0 423.539 -0.050 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 ZINC000438713267 1070172675 /nfs/dbraw/zinc/17/26/75/1070172675.db2.gz ZAPXPTSHYJHVNT-AWEZNQCLSA-N 1 0 402.521 0.055 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000438713268 1070172545 /nfs/dbraw/zinc/17/25/45/1070172545.db2.gz ZAPXPTSHYJHVNT-CQSZACIVSA-N 1 0 402.521 0.055 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000438714489 1070172519 /nfs/dbraw/zinc/17/25/19/1070172519.db2.gz ULELDPDGXUKFHQ-UHFFFAOYSA-N 1 0 421.527 0.446 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1 ZINC000438718157 1070170818 /nfs/dbraw/zinc/17/08/18/1070170818.db2.gz WQPXZCHVHFNBHK-UHFFFAOYSA-N 1 0 424.531 0.153 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cnc2n(C)c1=O ZINC000438718998 1070170946 /nfs/dbraw/zinc/17/09/46/1070170946.db2.gz BVZXDIJZDFLKQM-AWEZNQCLSA-N 1 0 414.466 -0.343 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cnc2n(C)c1=O ZINC000438719003 1070171236 /nfs/dbraw/zinc/17/12/36/1070171236.db2.gz BVZXDIJZDFLKQM-CQSZACIVSA-N 1 0 414.466 -0.343 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000438722061 1070174982 /nfs/dbraw/zinc/17/49/82/1070174982.db2.gz HXSFGJGIFPUAAQ-INIZCTEOSA-N 1 0 401.467 -0.073 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000438722064 1070174825 /nfs/dbraw/zinc/17/48/25/1070174825.db2.gz HXSFGJGIFPUAAQ-MRXNPFEDSA-N 1 0 401.467 -0.073 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1)N1CCOCC1 ZINC000438722859 1070174976 /nfs/dbraw/zinc/17/49/76/1070174976.db2.gz JHYXMDJGESJHOJ-KRWDZBQOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1)N1CCOCC1 ZINC000438722875 1070174928 /nfs/dbraw/zinc/17/49/28/1070174928.db2.gz JHYXMDJGESJHOJ-QGZVFWFLSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1)N1CCOCC1 ZINC000438726497 1070176248 /nfs/dbraw/zinc/17/62/48/1070176248.db2.gz QMPJPWASLRXXTJ-INIZCTEOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1)N1CCOCC1 ZINC000438726499 1070176274 /nfs/dbraw/zinc/17/62/74/1070176274.db2.gz QMPJPWASLRXXTJ-MRXNPFEDSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438726767 1070175694 /nfs/dbraw/zinc/17/56/94/1070175694.db2.gz VSYXXXAERWEJOT-KRWDZBQOSA-N 1 0 404.515 0.241 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438726768 1069607465 /nfs/dbraw/zinc/60/74/65/1069607465.db2.gz VSYXXXAERWEJOT-QGZVFWFLSA-N 1 0 404.515 0.241 20 0 HBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438779443 1070183271 /nfs/dbraw/zinc/18/32/71/1070183271.db2.gz FVGCXEXKVQUODO-INIZCTEOSA-N 1 0 406.531 0.343 20 0 HBADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438779444 1070183184 /nfs/dbraw/zinc/18/31/84/1070183184.db2.gz FVGCXEXKVQUODO-MRXNPFEDSA-N 1 0 406.531 0.343 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780685 1070184008 /nfs/dbraw/zinc/18/40/08/1070184008.db2.gz IMPCKYKOWKOGMA-BBWFWOEESA-N 1 0 406.531 0.483 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000438780696 1070183961 /nfs/dbraw/zinc/18/39/61/1070183961.db2.gz IMPCKYKOWKOGMA-BRWVUGGUSA-N 1 0 406.531 0.483 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780701 1070184032 /nfs/dbraw/zinc/18/40/32/1070184032.db2.gz IMPCKYKOWKOGMA-IXDOHACOSA-N 1 0 406.531 0.483 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000438780704 1070184094 /nfs/dbraw/zinc/18/40/94/1070184094.db2.gz IMPCKYKOWKOGMA-ZACQAIPSSA-N 1 0 406.531 0.483 20 0 HBADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000438782686 1070184929 /nfs/dbraw/zinc/18/49/29/1070184929.db2.gz OFCWFSTVPQHXAL-GFCCVEGCSA-N 1 0 416.482 -0.241 20 0 HBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000438782690 1070184085 /nfs/dbraw/zinc/18/40/85/1070184085.db2.gz OFCWFSTVPQHXAL-LBPRGKRZSA-N 1 0 416.482 -0.241 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC[N@@H+]1CCCOCC1 ZINC000438822143 1070189870 /nfs/dbraw/zinc/18/98/70/1070189870.db2.gz FSTQMANZSDLYJS-UHFFFAOYSA-N 1 0 413.496 -0.035 20 0 HBADRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438824976 1070190581 /nfs/dbraw/zinc/19/05/81/1070190581.db2.gz AFCCSNFPZNSWGP-CYBMUJFWSA-N 1 0 402.499 -0.446 20 0 HBADRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438824977 1070190745 /nfs/dbraw/zinc/19/07/45/1070190745.db2.gz AFCCSNFPZNSWGP-ZDUSSCGKSA-N 1 0 402.499 -0.446 20 0 HBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@@H](C)O1 ZINC000438828529 1070191491 /nfs/dbraw/zinc/19/14/91/1070191491.db2.gz WSCJKOMNWOHXEV-BFYDXBDKSA-N 1 0 402.517 -0.408 20 0 HBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)O1 ZINC000438828532 1070191541 /nfs/dbraw/zinc/19/15/41/1070191541.db2.gz WSCJKOMNWOHXEV-HLLBOEOZSA-N 1 0 402.517 -0.408 20 0 HBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@@H](C)O1 ZINC000438828533 1070191464 /nfs/dbraw/zinc/19/14/64/1070191464.db2.gz WSCJKOMNWOHXEV-INMHGKMJSA-N 1 0 402.517 -0.408 20 0 HBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)O1 ZINC000438828534 1070191398 /nfs/dbraw/zinc/19/13/98/1070191398.db2.gz WSCJKOMNWOHXEV-UXLLHSPISA-N 1 0 402.517 -0.408 20 0 HBADRO Cc1c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438831425 1070192296 /nfs/dbraw/zinc/19/22/96/1070192296.db2.gz CDWOPXKQAJWTSO-UHFFFAOYSA-N 1 0 416.526 -0.056 20 0 HBADRO Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832070 1070191637 /nfs/dbraw/zinc/19/16/37/1070191637.db2.gz SWDJSMJILVMBCC-INIZCTEOSA-N 1 0 416.526 -0.058 20 0 HBADRO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832073 1070191608 /nfs/dbraw/zinc/19/16/08/1070191608.db2.gz SWDJSMJILVMBCC-MRXNPFEDSA-N 1 0 416.526 -0.058 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835583 1070193329 /nfs/dbraw/zinc/19/33/29/1070193329.db2.gz WQNOMXDUPFIMTR-AWEZNQCLSA-N 1 0 416.526 -0.056 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835584 1070193280 /nfs/dbraw/zinc/19/32/80/1070193280.db2.gz WQNOMXDUPFIMTR-CQSZACIVSA-N 1 0 416.526 -0.056 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438838207 1070193266 /nfs/dbraw/zinc/19/32/66/1070193266.db2.gz UEUNHOQBVPUHAP-CYBMUJFWSA-N 1 0 402.499 -0.304 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438838212 1070193133 /nfs/dbraw/zinc/19/31/33/1070193133.db2.gz UEUNHOQBVPUHAP-ZDUSSCGKSA-N 1 0 402.499 -0.304 20 0 HBADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000438908848 1070204039 /nfs/dbraw/zinc/20/40/39/1070204039.db2.gz HLRRIPGHMWJRNA-UHFFFAOYSA-N 1 0 401.485 -0.061 20 0 HBADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000438920646 1070206111 /nfs/dbraw/zinc/20/61/11/1070206111.db2.gz UKRVQGNTDHQXNO-UHFFFAOYSA-N 1 0 401.485 -0.428 20 0 HBADRO Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438925108 1070206215 /nfs/dbraw/zinc/20/62/15/1070206215.db2.gz JHSXGNXPRVCBOX-AWEZNQCLSA-N 1 0 401.467 -0.265 20 0 HBADRO Cc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438925109 1070205994 /nfs/dbraw/zinc/20/59/94/1070205994.db2.gz JHSXGNXPRVCBOX-CQSZACIVSA-N 1 0 401.467 -0.265 20 0 HBADRO Cc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438930561 1070209778 /nfs/dbraw/zinc/20/97/78/1070209778.db2.gz YFGRDRMGIVKHFK-UHFFFAOYSA-N 1 0 401.467 -0.123 20 0 HBADRO Cc1c(C(=O)NCCN2CCC([NH+](C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438931400 1070210241 /nfs/dbraw/zinc/21/02/41/1070210241.db2.gz XXHXLVVXTFNMFI-UHFFFAOYSA-N 1 0 402.499 -0.304 20 0 HBADRO Cc1c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438970641 1070213277 /nfs/dbraw/zinc/21/32/77/1070213277.db2.gz FLPTWNOLIGGYKQ-UHFFFAOYSA-N 1 0 403.483 -0.094 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000438983435 1070213636 /nfs/dbraw/zinc/21/36/36/1070213636.db2.gz BWSHZDJMLPIMLD-HNNXBMFYSA-N 1 0 414.510 -0.207 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000438983436 1070213764 /nfs/dbraw/zinc/21/37/64/1070213764.db2.gz BWSHZDJMLPIMLD-OAHLLOKOSA-N 1 0 414.510 -0.207 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000439004799 1070216470 /nfs/dbraw/zinc/21/64/70/1070216470.db2.gz UVHHMOIEBOSVCF-UHFFFAOYSA-N 1 0 420.557 -0.166 20 0 HBADRO Cc1c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439006852 1070216159 /nfs/dbraw/zinc/21/61/59/1070216159.db2.gz UAXIATWLVCCNSH-UHFFFAOYSA-N 1 0 402.499 -0.350 20 0 HBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007731 1070216624 /nfs/dbraw/zinc/21/66/24/1070216624.db2.gz ZGGYFZVXLPPZGL-CYBMUJFWSA-N 1 0 402.455 -0.990 20 0 HBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007732 1070216541 /nfs/dbraw/zinc/21/65/41/1070216541.db2.gz ZGGYFZVXLPPZGL-ZDUSSCGKSA-N 1 0 402.455 -0.990 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n1 ZINC000439022328 1069545337 /nfs/dbraw/zinc/54/53/37/1069545337.db2.gz PDLPWUXYSKWREG-UHFFFAOYSA-N 1 0 424.465 0.324 20 0 HBADRO Cc1c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439030966 1070220971 /nfs/dbraw/zinc/22/09/71/1070220971.db2.gz XJQPVUOWXAQKGD-UHFFFAOYSA-N 1 0 414.510 -0.206 20 0 HBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000439040979 1070219764 /nfs/dbraw/zinc/21/97/64/1070219764.db2.gz IAFUQUUCHDAEOF-IBGZPJMESA-N 1 0 408.499 -0.401 20 0 HBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000439040980 1070219849 /nfs/dbraw/zinc/21/98/49/1070219849.db2.gz IAFUQUUCHDAEOF-LJQANCHMSA-N 1 0 408.499 -0.401 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000439043083 1070220165 /nfs/dbraw/zinc/22/01/65/1070220165.db2.gz LRUDWHFFLHEIRT-KRWDZBQOSA-N 1 0 412.494 0.389 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000439043084 1070220172 /nfs/dbraw/zinc/22/01/72/1070220172.db2.gz LRUDWHFFLHEIRT-QGZVFWFLSA-N 1 0 412.494 0.389 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000439050316 1070222259 /nfs/dbraw/zinc/22/22/59/1070222259.db2.gz MBKKFLXNUXFYQB-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000439051532 1070222342 /nfs/dbraw/zinc/22/23/42/1070222342.db2.gz APEJPVYXPBGHFN-HNNXBMFYSA-N 1 0 403.549 -0.490 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000439051533 1070222161 /nfs/dbraw/zinc/22/21/61/1070222161.db2.gz APEJPVYXPBGHFN-OAHLLOKOSA-N 1 0 403.549 -0.490 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000439058011 1070223233 /nfs/dbraw/zinc/22/32/33/1070223233.db2.gz QHFOIUUUCATQII-UHFFFAOYSA-N 1 0 410.544 -0.086 20 0 HBADRO CNS(=O)(=O)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000439059480 1070220955 /nfs/dbraw/zinc/22/09/55/1070220955.db2.gz XIXQJHJKKAPBGZ-UHFFFAOYSA-N 1 0 418.541 -0.063 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000439061075 1070221690 /nfs/dbraw/zinc/22/16/90/1070221690.db2.gz YMFYWTVTTIZBRM-UHFFFAOYSA-N 1 0 403.549 -0.490 20 0 HBADRO CNS(=O)(=O)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000439070291 1070226210 /nfs/dbraw/zinc/22/62/10/1070226210.db2.gz VJWFEXOXJJPHJS-INIZCTEOSA-N 1 0 411.528 -0.268 20 0 HBADRO CNS(=O)(=O)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000439070295 1070226103 /nfs/dbraw/zinc/22/61/03/1070226103.db2.gz VJWFEXOXJJPHJS-MRXNPFEDSA-N 1 0 411.528 -0.268 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000439071535 1070226563 /nfs/dbraw/zinc/22/65/63/1070226563.db2.gz QCMMLIMDFPQUJE-UHFFFAOYSA-N 1 0 410.544 -0.086 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000439073439 1070223819 /nfs/dbraw/zinc/22/38/19/1070223819.db2.gz WSXXYLBACLNSKV-UHFFFAOYSA-N 1 0 401.533 -0.783 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000439080137 1070224428 /nfs/dbraw/zinc/22/44/28/1070224428.db2.gz WPCMVTFUPBBGQI-UHFFFAOYSA-N 1 0 410.544 -0.086 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439092507 1070228116 /nfs/dbraw/zinc/22/81/16/1070228116.db2.gz DTBZMMROOLGZDL-BPAMBQHCSA-N 1 0 422.486 -0.794 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439092508 1070227805 /nfs/dbraw/zinc/22/78/05/1070227805.db2.gz DTBZMMROOLGZDL-BYMDKACISA-N 1 0 422.486 -0.794 20 0 HBADRO CC1CC[NH+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000439093838 1070228503 /nfs/dbraw/zinc/22/85/03/1070228503.db2.gz FUKMCMWJKXFVLJ-NVQRDWNXSA-N 1 0 406.487 -0.028 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H](C)O1 ZINC000439099074 1070230464 /nfs/dbraw/zinc/23/04/64/1070230464.db2.gz JCTFBWPWGDWWSA-DAEWCUBLSA-N 1 0 422.486 -0.651 20 0 HBADRO C[C@@H]1C[NH+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)O1 ZINC000439099076 1070230213 /nfs/dbraw/zinc/23/02/13/1070230213.db2.gz JCTFBWPWGDWWSA-MZVSAMGMSA-N 1 0 422.486 -0.651 20 0 HBADRO C[C@H]1C[NH+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H](C)O1 ZINC000439099078 1070230330 /nfs/dbraw/zinc/23/03/30/1070230330.db2.gz JCTFBWPWGDWWSA-OAVPVUAOSA-N 1 0 422.486 -0.651 20 0 HBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439107106 1070231490 /nfs/dbraw/zinc/23/14/90/1070231490.db2.gz LFKGJUHQFGJXOG-CYBMUJFWSA-N 1 0 416.482 -0.742 20 0 HBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439107110 1070231526 /nfs/dbraw/zinc/23/15/26/1070231526.db2.gz LFKGJUHQFGJXOG-ZDUSSCGKSA-N 1 0 416.482 -0.742 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CC[NH+](C3CCCC3)CC2)[C@H](O)[C@@H]1O ZINC000439110112 1070229237 /nfs/dbraw/zinc/22/92/37/1070229237.db2.gz XSIDXGZFJNOYHB-NVQRDWNXSA-N 1 0 404.471 -0.498 20 0 HBADRO C[NH+](C)[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccco1 ZINC000439129918 1070234395 /nfs/dbraw/zinc/23/43/95/1070234395.db2.gz DEEVFDQWVGXCMU-DPHITLOKSA-N 1 0 404.427 -0.254 20 0 HBADRO C[NH+](C)[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccco1 ZINC000439129920 1070234364 /nfs/dbraw/zinc/23/43/64/1070234364.db2.gz DEEVFDQWVGXCMU-QHOAOGIMSA-N 1 0 404.427 -0.254 20 0 HBADRO COCCC[NH+]1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000439152393 1070234528 /nfs/dbraw/zinc/23/45/28/1070234528.db2.gz HWMRBCJYKYVIID-NVQRDWNXSA-N 1 0 422.486 -0.649 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439159543 1070237017 /nfs/dbraw/zinc/23/70/17/1070237017.db2.gz JPMBTYUTYFNPFU-BPAMBQHCSA-N 1 0 406.487 -0.394 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439159544 1070236989 /nfs/dbraw/zinc/23/69/89/1070236989.db2.gz JPMBTYUTYFNPFU-BYMDKACISA-N 1 0 406.487 -0.394 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439161640 1070237617 /nfs/dbraw/zinc/23/76/17/1070237617.db2.gz XRCCYGUAGLCEHU-DAEWCUBLSA-N 1 0 404.471 -0.642 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439161642 1070237342 /nfs/dbraw/zinc/23/73/42/1070237342.db2.gz XRCCYGUAGLCEHU-MZVSAMGMSA-N 1 0 404.471 -0.642 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439161643 1070237588 /nfs/dbraw/zinc/23/75/88/1070237588.db2.gz XRCCYGUAGLCEHU-OAVPVUAOSA-N 1 0 404.471 -0.642 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439161645 1070237508 /nfs/dbraw/zinc/23/75/08/1070237508.db2.gz XRCCYGUAGLCEHU-ZVWXDJDZSA-N 1 0 404.471 -0.642 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c(S(N)(=O)=O)c1 ZINC000439173767 1070239413 /nfs/dbraw/zinc/23/94/13/1070239413.db2.gz YWFVSEXQQZJVNU-UHFFFAOYSA-N 1 0 406.530 -0.911 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC[C@@H]2C[NH+]2CCCCC2)[C@H](O)[C@@H]1O ZINC000439174233 1070239298 /nfs/dbraw/zinc/23/92/98/1070239298.db2.gz WBRWENADSZWZFR-CDUMDVBJSA-N 1 0 418.498 -0.108 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC[C@H]2C[NH+]2CCCCC2)[C@H](O)[C@@H]1O ZINC000439174234 1070239279 /nfs/dbraw/zinc/23/92/79/1070239279.db2.gz WBRWENADSZWZFR-SWQDORGXSA-N 1 0 418.498 -0.108 20 0 HBADRO CNS(=O)(=O)NC1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000439197596 1070243574 /nfs/dbraw/zinc/24/35/74/1070243574.db2.gz JTLLUGINNWXUOG-UHFFFAOYSA-N 1 0 422.577 -0.732 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000439203680 1070245196 /nfs/dbraw/zinc/24/51/96/1070245196.db2.gz PGRNZJHGYGHXMO-CYBMUJFWSA-N 1 0 401.467 -0.331 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000439203681 1070245068 /nfs/dbraw/zinc/24/50/68/1070245068.db2.gz PGRNZJHGYGHXMO-ZDUSSCGKSA-N 1 0 401.467 -0.331 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000439213932 1070247174 /nfs/dbraw/zinc/24/71/74/1070247174.db2.gz WTWRPHOLHOFFBH-HNNXBMFYSA-N 1 0 403.483 -0.402 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000439213933 1070247048 /nfs/dbraw/zinc/24/70/48/1070247048.db2.gz WTWRPHOLHOFFBH-OAHLLOKOSA-N 1 0 403.483 -0.402 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000439215697 1070247743 /nfs/dbraw/zinc/24/77/43/1070247743.db2.gz PWIOYAWTCOPOOI-UHFFFAOYSA-N 1 0 402.499 -0.038 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000439224962 1070248735 /nfs/dbraw/zinc/24/87/35/1070248735.db2.gz REFMSJPRAHDURK-AWEZNQCLSA-N 1 0 401.467 -0.250 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000439224964 1070248863 /nfs/dbraw/zinc/24/88/63/1070248863.db2.gz REFMSJPRAHDURK-CQSZACIVSA-N 1 0 401.467 -0.250 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000439226250 1070248686 /nfs/dbraw/zinc/24/86/86/1070248686.db2.gz WIJFYKNHZAJNIR-UHFFFAOYSA-N 1 0 405.503 0.173 20 0 HBADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NCC(=O)NCCO)c1 ZINC000439244715 1070252577 /nfs/dbraw/zinc/25/25/77/1070252577.db2.gz HKTMRVWCGWANNX-UHFFFAOYSA-N 1 0 419.482 -0.336 20 0 HBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC(=O)NCCO)CC1 ZINC000439247580 1070249876 /nfs/dbraw/zinc/24/98/76/1070249876.db2.gz NJVSZTUFHKPBIF-UHFFFAOYSA-N 1 0 411.890 -0.355 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)NCCO ZINC000439249209 1070250623 /nfs/dbraw/zinc/25/06/23/1070250623.db2.gz REMPGYOHMBNHJD-UHFFFAOYSA-N 1 0 419.482 -0.336 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)NCCO ZINC000439253177 1070253632 /nfs/dbraw/zinc/25/36/32/1070253632.db2.gz ZZHCQJSMRUOCFZ-UHFFFAOYSA-N 1 0 403.483 -0.618 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)NCCO ZINC000439253347 1070253784 /nfs/dbraw/zinc/25/37/84/1070253784.db2.gz BXPWMFDPARZINR-UHFFFAOYSA-N 1 0 419.482 -0.336 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC(=O)NCCO ZINC000439253743 1070253611 /nfs/dbraw/zinc/25/36/11/1070253611.db2.gz SWXKMEUPXNVZFD-UHFFFAOYSA-N 1 0 407.471 -1.000 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000439283344 1070255499 /nfs/dbraw/zinc/25/54/99/1070255499.db2.gz JJHOWSJSVFTKCG-UHFFFAOYSA-N 1 0 400.501 -0.029 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1)N1CCOCC1 ZINC000439285494 1069338395 /nfs/dbraw/zinc/33/83/95/1069338395.db2.gz OKAQAFRNMOYMQA-IBGZPJMESA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)CC1)N1CCOCC1 ZINC000439285495 1069338183 /nfs/dbraw/zinc/33/81/83/1069338183.db2.gz OKAQAFRNMOYMQA-LJQANCHMSA-N 1 0 408.543 -0.120 20 0 HBADRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439289568 1070256020 /nfs/dbraw/zinc/25/60/20/1070256020.db2.gz MUPTVTAQXMZMCF-AWEZNQCLSA-N 1 0 403.483 -0.237 20 0 HBADRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439289569 1070256234 /nfs/dbraw/zinc/25/62/34/1070256234.db2.gz MUPTVTAQXMZMCF-CQSZACIVSA-N 1 0 403.483 -0.237 20 0 HBADRO CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000439305105 1070259373 /nfs/dbraw/zinc/25/93/73/1070259373.db2.gz OWCJYXQHKKDEHB-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000439332924 1070259833 /nfs/dbraw/zinc/25/98/33/1070259833.db2.gz UNJHCNKCDQKRKD-CYBMUJFWSA-N 1 0 404.471 -0.437 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000439332925 1070260045 /nfs/dbraw/zinc/26/00/45/1070260045.db2.gz UNJHCNKCDQKRKD-ZDUSSCGKSA-N 1 0 404.471 -0.437 20 0 HBADRO COCCN(CCO)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000439342503 1070262978 /nfs/dbraw/zinc/26/29/78/1070262978.db2.gz NSMCYBZNTAGSQD-UHFFFAOYSA-N 1 0 406.483 -0.130 20 0 HBADRO COCCN(CCO)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000439348998 1070264180 /nfs/dbraw/zinc/26/41/80/1070264180.db2.gz LKYBZJPEJZSXGX-UHFFFAOYSA-N 1 0 406.483 -0.210 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000439358328 1070265843 /nfs/dbraw/zinc/26/58/43/1070265843.db2.gz WWTAAEFNMMMMFG-HNNXBMFYSA-N 1 0 402.499 -0.040 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000439358331 1070265953 /nfs/dbraw/zinc/26/59/53/1070265953.db2.gz WWTAAEFNMMMMFG-OAHLLOKOSA-N 1 0 402.499 -0.040 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000439360518 1070266129 /nfs/dbraw/zinc/26/61/29/1070266129.db2.gz RCPFSFDHQDYKDH-HNNXBMFYSA-N 1 0 405.503 0.172 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000439360520 1070266098 /nfs/dbraw/zinc/26/60/98/1070266098.db2.gz RCPFSFDHQDYKDH-OAHLLOKOSA-N 1 0 405.503 0.172 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)c2)CC1 ZINC000439392115 1070268196 /nfs/dbraw/zinc/26/81/96/1070268196.db2.gz JXZVQXPBKVSXBN-UHFFFAOYSA-N 1 0 423.539 -0.348 20 0 HBADRO C[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439447109 1070274987 /nfs/dbraw/zinc/27/49/87/1070274987.db2.gz DOLNZNHXZJIPBR-TWMKSMIVSA-N 1 0 414.572 -0.305 20 0 HBADRO C[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439447111 1070274875 /nfs/dbraw/zinc/27/48/75/1070274875.db2.gz DOLNZNHXZJIPBR-VVLHAWIVSA-N 1 0 414.572 -0.305 20 0 HBADRO C[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439447113 1070275120 /nfs/dbraw/zinc/27/51/20/1070275120.db2.gz DOLNZNHXZJIPBR-YVSFHVDLSA-N 1 0 414.572 -0.305 20 0 HBADRO C[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439447116 1070274766 /nfs/dbraw/zinc/27/47/66/1070274766.db2.gz DOLNZNHXZJIPBR-YYIAUSFCSA-N 1 0 414.572 -0.305 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1 ZINC000439473341 1070276114 /nfs/dbraw/zinc/27/61/14/1070276114.db2.gz LBAMTCVUBIACSF-UHFFFAOYSA-N 1 0 413.438 -0.385 20 0 HBADRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000439484958 1070278606 /nfs/dbraw/zinc/27/86/06/1070278606.db2.gz GJJOSFOAVFOHEL-IBGZPJMESA-N 1 0 407.471 -0.275 20 0 HBADRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000439484961 1070278754 /nfs/dbraw/zinc/27/87/54/1070278754.db2.gz GJJOSFOAVFOHEL-LJQANCHMSA-N 1 0 407.471 -0.275 20 0 HBADRO Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nn1C ZINC000439486467 1070276644 /nfs/dbraw/zinc/27/66/44/1070276644.db2.gz NRSZZASIUAAFCM-UHFFFAOYSA-N 1 0 404.515 0.508 20 0 HBADRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000439487815 1070276769 /nfs/dbraw/zinc/27/67/69/1070276769.db2.gz WHFVDTOWZDIXLT-FQEVSTJZSA-N 1 0 412.531 -0.490 20 0 HBADRO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000439487916 1070277160 /nfs/dbraw/zinc/27/71/60/1070277160.db2.gz WHFVDTOWZDIXLT-HXUWFJFHSA-N 1 0 412.531 -0.490 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1C ZINC000439498484 1070280114 /nfs/dbraw/zinc/28/01/14/1070280114.db2.gz SCFULZXEOITMSE-UHFFFAOYSA-N 1 0 400.487 0.176 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000439539429 1070283012 /nfs/dbraw/zinc/28/30/12/1070283012.db2.gz DKDUQDBZBVHRDS-CVEARBPZSA-N 1 0 420.514 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000439539430 1070283019 /nfs/dbraw/zinc/28/30/19/1070283019.db2.gz DKDUQDBZBVHRDS-HOTGVXAUSA-N 1 0 420.514 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000439539431 1070282845 /nfs/dbraw/zinc/28/28/45/1070282845.db2.gz DKDUQDBZBVHRDS-HZPDHXFCSA-N 1 0 420.514 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000439539432 1070282933 /nfs/dbraw/zinc/28/29/33/1070282933.db2.gz DKDUQDBZBVHRDS-JKSUJKDBSA-N 1 0 420.514 -0.226 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cn2)C[C@H](C)O1 ZINC000439542184 1070282401 /nfs/dbraw/zinc/28/24/01/1070282401.db2.gz NYNYBGIOLQXADI-KBPBESRZSA-N 1 0 408.503 -0.038 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cn2)C[C@H](C)O1 ZINC000439542185 1070282500 /nfs/dbraw/zinc/28/25/00/1070282500.db2.gz NYNYBGIOLQXADI-OKILXGFUSA-N 1 0 408.503 -0.038 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cn2)C[C@@H](C)O1 ZINC000439542186 1070282454 /nfs/dbraw/zinc/28/24/54/1070282454.db2.gz NYNYBGIOLQXADI-ZIAGYGMSSA-N 1 0 408.503 -0.038 20 0 HBADRO CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000439547012 1070282533 /nfs/dbraw/zinc/28/25/33/1070282533.db2.gz GQTIVRUHNBQDIZ-UHFFFAOYSA-N 1 0 419.482 -0.115 20 0 HBADRO CN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439588599 1070288904 /nfs/dbraw/zinc/28/89/04/1070288904.db2.gz SIKNQKGZENMDPM-CYBMUJFWSA-N 1 0 400.439 -0.734 20 0 HBADRO CN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439588600 1070289009 /nfs/dbraw/zinc/28/90/09/1070289009.db2.gz SIKNQKGZENMDPM-ZDUSSCGKSA-N 1 0 400.439 -0.734 20 0 HBADRO CN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439588997 1070289247 /nfs/dbraw/zinc/28/92/47/1070289247.db2.gz PIFFVFLNTQKKHX-INIZCTEOSA-N 1 0 404.471 -0.625 20 0 HBADRO CN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439589001 1070289064 /nfs/dbraw/zinc/28/90/64/1070289064.db2.gz PIFFVFLNTQKKHX-MRXNPFEDSA-N 1 0 404.471 -0.625 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCNC(=O)CC3)cc2)CC1 ZINC000439599136 1070288428 /nfs/dbraw/zinc/28/84/28/1070288428.db2.gz RKSSCRGXASDVMQ-UHFFFAOYSA-N 1 0 403.483 -0.400 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC000439599152 1070288476 /nfs/dbraw/zinc/28/84/76/1070288476.db2.gz RRIOYHDFTNYLNV-UHFFFAOYSA-N 1 0 401.467 -0.249 20 0 HBADRO CN(C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439601541 1069663481 /nfs/dbraw/zinc/66/34/81/1069663481.db2.gz MWNWDCILMSOTMO-INIZCTEOSA-N 1 0 417.514 0.314 20 0 HBADRO CN(C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439601542 1069663386 /nfs/dbraw/zinc/66/33/86/1069663386.db2.gz MWNWDCILMSOTMO-MRXNPFEDSA-N 1 0 417.514 0.314 20 0 HBADRO C[C@H]1Oc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2NC1=O ZINC000439611424 1070291561 /nfs/dbraw/zinc/29/15/61/1070291561.db2.gz FOUWMJJIKKRSQT-CYBMUJFWSA-N 1 0 408.455 -0.256 20 0 HBADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2NC1=O ZINC000439611426 1070291263 /nfs/dbraw/zinc/29/12/63/1070291263.db2.gz FOUWMJJIKKRSQT-ZDUSSCGKSA-N 1 0 408.455 -0.256 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2n(C)c1=O ZINC000439620633 1070290199 /nfs/dbraw/zinc/29/01/99/1070290199.db2.gz WJDYIKVBIWZYAB-UHFFFAOYSA-N 1 0 407.471 -0.785 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2C1=O ZINC000439634209 1070291313 /nfs/dbraw/zinc/29/13/13/1070291313.db2.gz JWYTVBBIVWNXGG-UHFFFAOYSA-N 1 0 406.439 -0.750 20 0 HBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000439640150 1070292642 /nfs/dbraw/zinc/29/26/42/1070292642.db2.gz MMZXRRPURAAHDY-UHFFFAOYSA-N 1 0 413.496 -0.646 20 0 HBADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc21 ZINC000439647766 1070293487 /nfs/dbraw/zinc/29/34/87/1070293487.db2.gz OAIGMFFXYUUAFO-UHFFFAOYSA-N 1 0 408.455 -0.621 20 0 HBADRO CC(=O)N1CCc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000439649922 1070293283 /nfs/dbraw/zinc/29/32/83/1070293283.db2.gz MSUSPTPBWKHOMW-UHFFFAOYSA-N 1 0 406.483 -0.067 20 0 HBADRO CN1CCc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2C1=O ZINC000439650735 1070293323 /nfs/dbraw/zinc/29/33/23/1070293323.db2.gz NZNVXISZPDCCBM-UHFFFAOYSA-N 1 0 406.483 -0.348 20 0 HBADRO CNS(=O)(=O)CCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000439817971 1070306964 /nfs/dbraw/zinc/30/69/64/1070306964.db2.gz DGJWQNXILSNSSO-UHFFFAOYSA-N 1 0 405.565 -0.339 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)NC)CC1 ZINC000439821221 1070307580 /nfs/dbraw/zinc/30/75/80/1070307580.db2.gz FBADOCRKHKKDPJ-UHFFFAOYSA-N 1 0 405.565 -0.195 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000439838977 1070307875 /nfs/dbraw/zinc/30/78/75/1070307875.db2.gz UOJDJWYXNNOGKO-UHFFFAOYSA-N 1 0 406.306 -0.298 20 0 HBADRO CNS(=O)(=O)CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000439840820 1070308637 /nfs/dbraw/zinc/30/86/37/1070308637.db2.gz BJKWLRBBAMSEBW-UHFFFAOYSA-N 1 0 403.549 -0.441 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000439845861 1070309614 /nfs/dbraw/zinc/30/96/14/1070309614.db2.gz ZUYYYSQVELSGAQ-JXFKEZNVSA-N 1 0 406.483 -0.028 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000439845862 1070309528 /nfs/dbraw/zinc/30/95/28/1070309528.db2.gz ZUYYYSQVELSGAQ-OXJNMPFZSA-N 1 0 406.483 -0.028 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000439845863 1070309195 /nfs/dbraw/zinc/30/91/95/1070309195.db2.gz ZUYYYSQVELSGAQ-OXQOHEQNSA-N 1 0 406.483 -0.028 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000439845864 1070309215 /nfs/dbraw/zinc/30/92/15/1070309215.db2.gz ZUYYYSQVELSGAQ-UZLBHIALSA-N 1 0 406.483 -0.028 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000439846528 1070309892 /nfs/dbraw/zinc/30/98/92/1070309892.db2.gz QHWIFSIPUDKFDH-KRWDZBQOSA-N 1 0 406.483 -0.027 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000439846529 1070310143 /nfs/dbraw/zinc/31/01/43/1070310143.db2.gz QHWIFSIPUDKFDH-QGZVFWFLSA-N 1 0 406.483 -0.027 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000439862165 1070311570 /nfs/dbraw/zinc/31/15/70/1070311570.db2.gz XYTRKIFQNMLGJR-JXFKEZNVSA-N 1 0 404.467 -0.274 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000439862166 1070311506 /nfs/dbraw/zinc/31/15/06/1070311506.db2.gz XYTRKIFQNMLGJR-OXJNMPFZSA-N 1 0 404.467 -0.274 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000439862167 1070311327 /nfs/dbraw/zinc/31/13/27/1070311327.db2.gz XYTRKIFQNMLGJR-OXQOHEQNSA-N 1 0 404.467 -0.274 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000439862168 1070311642 /nfs/dbraw/zinc/31/16/42/1070311642.db2.gz XYTRKIFQNMLGJR-UZLBHIALSA-N 1 0 404.467 -0.274 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000439908084 1070314502 /nfs/dbraw/zinc/31/45/02/1070314502.db2.gz GOCBGNGPSNGXCN-HNNXBMFYSA-N 1 0 401.533 -0.784 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000439908085 1070315106 /nfs/dbraw/zinc/31/51/06/1070315106.db2.gz GOCBGNGPSNGXCN-OAHLLOKOSA-N 1 0 401.533 -0.784 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1 ZINC000439910038 1070315332 /nfs/dbraw/zinc/31/53/32/1070315332.db2.gz AZXXWRLJSRSAOC-UHFFFAOYSA-N 1 0 403.549 -0.537 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000439916206 1070316264 /nfs/dbraw/zinc/31/62/64/1070316264.db2.gz FHHNSRVERPVKLG-DOTOQJQBSA-N 1 0 401.577 -0.065 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000439916425 1070316324 /nfs/dbraw/zinc/31/63/24/1070316324.db2.gz FHHNSRVERPVKLG-NVXWUHKLSA-N 1 0 401.577 -0.065 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000439916427 1070316464 /nfs/dbraw/zinc/31/64/64/1070316464.db2.gz FHHNSRVERPVKLG-RDJZCZTQSA-N 1 0 401.577 -0.065 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000439916428 1070316353 /nfs/dbraw/zinc/31/63/53/1070316353.db2.gz FHHNSRVERPVKLG-WBVHZDCISA-N 1 0 401.577 -0.065 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000439933690 1070318420 /nfs/dbraw/zinc/31/84/20/1070318420.db2.gz ZAOCJBOENLCWRY-HNNXBMFYSA-N 1 0 405.565 -0.340 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000439934882 1070318277 /nfs/dbraw/zinc/31/82/77/1070318277.db2.gz RHKFGDJRUFFHBP-GOSISDBHSA-N 1 0 410.540 -0.014 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000439934883 1070318164 /nfs/dbraw/zinc/31/81/64/1070318164.db2.gz RHKFGDJRUFFHBP-SFHVURJKSA-N 1 0 410.540 -0.014 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1=O ZINC000439961400 1070321814 /nfs/dbraw/zinc/32/18/14/1070321814.db2.gz HNIZUWVEZYKFAJ-CVEARBPZSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1=O ZINC000439961401 1070321479 /nfs/dbraw/zinc/32/14/79/1070321479.db2.gz HNIZUWVEZYKFAJ-HOTGVXAUSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1=O ZINC000439961403 1070321764 /nfs/dbraw/zinc/32/17/64/1070321764.db2.gz HNIZUWVEZYKFAJ-HZPDHXFCSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1=O ZINC000439961405 1070321406 /nfs/dbraw/zinc/32/14/06/1070321406.db2.gz HNIZUWVEZYKFAJ-JKSUJKDBSA-N 1 0 400.545 -0.283 20 0 HBADRO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000439979954 1070323284 /nfs/dbraw/zinc/32/32/84/1070323284.db2.gz OWMMVRXLDWVPQE-INIZCTEOSA-N 1 0 400.483 0.199 20 0 HBADRO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000439979965 1070323088 /nfs/dbraw/zinc/32/30/88/1070323088.db2.gz OWMMVRXLDWVPQE-MRXNPFEDSA-N 1 0 400.483 0.199 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000440007560 1070325886 /nfs/dbraw/zinc/32/58/86/1070325886.db2.gz KLAMXZGLBZIAOV-UHFFFAOYSA-N 1 0 404.446 0.568 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000440011810 1070324771 /nfs/dbraw/zinc/32/47/71/1070324771.db2.gz ZHFPBSOUMBWHCS-CYBMUJFWSA-N 1 0 412.512 -0.163 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000440011813 1070324877 /nfs/dbraw/zinc/32/48/77/1070324877.db2.gz ZHFPBSOUMBWHCS-ZDUSSCGKSA-N 1 0 412.512 -0.163 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000440013266 1070324988 /nfs/dbraw/zinc/32/49/88/1070324988.db2.gz QWJTZCJAOOCWKD-UHFFFAOYSA-N 1 0 412.512 -0.210 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000440040369 1070330618 /nfs/dbraw/zinc/33/06/18/1070330618.db2.gz AGFYFFRNXNFCRG-CRAIPNDOSA-N 1 0 417.510 -0.095 20 0 HBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000440040371 1070330969 /nfs/dbraw/zinc/33/09/69/1070330969.db2.gz AGFYFFRNXNFCRG-MAUKXSAKSA-N 1 0 417.510 -0.095 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000440040373 1070330737 /nfs/dbraw/zinc/33/07/37/1070330737.db2.gz AGFYFFRNXNFCRG-QAPCUYQASA-N 1 0 417.510 -0.095 20 0 HBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000440040375 1070331057 /nfs/dbraw/zinc/33/10/57/1070331057.db2.gz AGFYFFRNXNFCRG-YJBOKZPZSA-N 1 0 417.510 -0.095 20 0 HBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(OC)c1 ZINC000440072571 1070331969 /nfs/dbraw/zinc/33/19/69/1070331969.db2.gz DDSIMFZICGDEHP-UHFFFAOYSA-N 1 0 420.557 -0.018 20 0 HBADRO CC[NH+]1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000440084384 1070334767 /nfs/dbraw/zinc/33/47/67/1070334767.db2.gz WCJMWUXBFNZDNT-UHFFFAOYSA-N 1 0 404.558 -0.478 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000440086775 1070335401 /nfs/dbraw/zinc/33/54/01/1070335401.db2.gz HGKUKEJBJDFAGM-INIZCTEOSA-N 1 0 418.585 -0.090 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000440086776 1070335295 /nfs/dbraw/zinc/33/52/95/1070335295.db2.gz HGKUKEJBJDFAGM-MRXNPFEDSA-N 1 0 418.585 -0.090 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000440087178 1070334421 /nfs/dbraw/zinc/33/44/21/1070334421.db2.gz IQNKRLGKILOMTC-GFCCVEGCSA-N 1 0 410.500 -0.662 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000440087180 1070334683 /nfs/dbraw/zinc/33/46/83/1070334683.db2.gz IQNKRLGKILOMTC-LBPRGKRZSA-N 1 0 410.500 -0.662 20 0 HBADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(N)=O ZINC000440116584 1070339169 /nfs/dbraw/zinc/33/91/69/1070339169.db2.gz FRHXYFGWYLBTLA-QGZVFWFLSA-N 1 0 405.499 -0.123 20 0 HBADRO COC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCS(=O)(=O)CC1 ZINC000440141134 1070340167 /nfs/dbraw/zinc/34/01/67/1070340167.db2.gz ISNHIVQVPZWICV-CYBMUJFWSA-N 1 0 403.501 -0.977 20 0 HBADRO COC(=O)CC1(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCS(=O)(=O)CC1 ZINC000440141135 1070340319 /nfs/dbraw/zinc/34/03/19/1070340319.db2.gz ISNHIVQVPZWICV-ZDUSSCGKSA-N 1 0 403.501 -0.977 20 0 HBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000440153587 1070342975 /nfs/dbraw/zinc/34/29/75/1070342975.db2.gz VESGYPLUZZKUEJ-IBGZPJMESA-N 1 0 409.487 0.202 20 0 HBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000440153592 1070343196 /nfs/dbraw/zinc/34/31/96/1070343196.db2.gz VESGYPLUZZKUEJ-LJQANCHMSA-N 1 0 409.487 0.202 20 0 HBADRO CNS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000440176719 1070346241 /nfs/dbraw/zinc/34/62/41/1070346241.db2.gz UGKLBKHUKBBOLS-UHFFFAOYSA-N 1 0 420.557 -0.496 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)ccc2oc1=O ZINC000440176823 1070346321 /nfs/dbraw/zinc/34/63/21/1070346321.db2.gz QHDDOJFREDTWFP-UKRRQHHQSA-N 1 0 415.450 -0.168 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000440238401 1069550470 /nfs/dbraw/zinc/55/04/70/1069550470.db2.gz HRYQRAMDFYCUAC-UHFFFAOYSA-N 1 0 406.487 -0.375 20 0 HBADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440257701 1070351820 /nfs/dbraw/zinc/35/18/20/1070351820.db2.gz RMOPUOITYIPMOR-UHFFFAOYSA-N 1 0 414.470 0.304 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000440259002 1070351536 /nfs/dbraw/zinc/35/15/36/1070351536.db2.gz VHQPLOZHBUQGCX-UHFFFAOYSA-N 1 0 406.487 -0.375 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000440259320 1070351516 /nfs/dbraw/zinc/35/15/16/1070351516.db2.gz SWTFTYGSDYNMKJ-UHFFFAOYSA-N 1 0 419.530 0.564 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c(C)c2)CC1 ZINC000440265613 1070353475 /nfs/dbraw/zinc/35/34/75/1070353475.db2.gz LUMDWEADJCMWKM-INIZCTEOSA-N 1 0 423.539 -0.035 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c(C)c2)CC1 ZINC000440265614 1070353416 /nfs/dbraw/zinc/35/34/16/1070353416.db2.gz LUMDWEADJCMWKM-MRXNPFEDSA-N 1 0 423.539 -0.035 20 0 HBADRO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000440266387 1070359062 /nfs/dbraw/zinc/35/90/62/1070359062.db2.gz MJLVBTGAYLMWEM-INIZCTEOSA-N 1 0 417.510 -0.060 20 0 HBADRO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000440266390 1070358977 /nfs/dbraw/zinc/35/89/77/1070358977.db2.gz MJLVBTGAYLMWEM-MRXNPFEDSA-N 1 0 417.510 -0.060 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000440267250 1070354869 /nfs/dbraw/zinc/35/48/69/1070354869.db2.gz DJVGRQKJQGCKSL-UHFFFAOYSA-N 1 0 401.467 -0.053 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000440267574 1070354961 /nfs/dbraw/zinc/35/49/61/1070354961.db2.gz QBEWOLXQITYKCR-AWEZNQCLSA-N 1 0 411.484 -0.618 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000440267576 1070354534 /nfs/dbraw/zinc/35/45/34/1070354534.db2.gz QBEWOLXQITYKCR-CQSZACIVSA-N 1 0 411.484 -0.618 20 0 HBADRO COc1ccc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1-n1cnnn1 ZINC000440268299 1070354735 /nfs/dbraw/zinc/35/47/35/1070354735.db2.gz GGOUVZZXUBQFKC-UHFFFAOYSA-N 1 0 416.486 -0.295 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440270052 1070355360 /nfs/dbraw/zinc/35/53/60/1070355360.db2.gz RWUZCUZPSYOMIL-KRWDZBQOSA-N 1 0 423.539 -0.348 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440270053 1070355635 /nfs/dbraw/zinc/35/56/35/1070355635.db2.gz RWUZCUZPSYOMIL-QGZVFWFLSA-N 1 0 423.539 -0.348 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000440271018 1070355506 /nfs/dbraw/zinc/35/55/06/1070355506.db2.gz XGQABGHKJJSAGY-UHFFFAOYSA-N 1 0 415.498 -0.395 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000440272222 1070356159 /nfs/dbraw/zinc/35/61/59/1070356159.db2.gz ZTOAJWRLNWBCCX-UHFFFAOYSA-N 1 0 404.450 -0.164 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000440275618 1070356768 /nfs/dbraw/zinc/35/67/68/1070356768.db2.gz XVQLHFHHUAESQB-UHFFFAOYSA-N 1 0 402.455 -0.485 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000440276611 1070356642 /nfs/dbraw/zinc/35/66/42/1070356642.db2.gz NSLPTJVSSDTCDX-GOSISDBHSA-N 1 0 417.510 -0.378 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000440276612 1070356801 /nfs/dbraw/zinc/35/68/01/1070356801.db2.gz NSLPTJVSSDTCDX-SFHVURJKSA-N 1 0 417.510 -0.378 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000440279430 1070357808 /nfs/dbraw/zinc/35/78/08/1070357808.db2.gz GMUZVXKAYVLGJW-UHFFFAOYSA-N 1 0 402.499 -0.089 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440280138 1070357997 /nfs/dbraw/zinc/35/79/97/1070357997.db2.gz IEDGKCZIJOXCSQ-INIZCTEOSA-N 1 0 409.512 -0.738 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440280140 1070357746 /nfs/dbraw/zinc/35/77/46/1070357746.db2.gz IEDGKCZIJOXCSQ-MRXNPFEDSA-N 1 0 409.512 -0.738 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440297317 1070361408 /nfs/dbraw/zinc/36/14/08/1070361408.db2.gz VKMWWTUUGIYDOU-INIZCTEOSA-N 1 0 409.512 -0.344 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440297321 1070361263 /nfs/dbraw/zinc/36/12/63/1070361263.db2.gz VKMWWTUUGIYDOU-MRXNPFEDSA-N 1 0 409.512 -0.344 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000440299194 1070361250 /nfs/dbraw/zinc/36/12/50/1070361250.db2.gz USPAJRZZMFKGEI-AWEZNQCLSA-N 1 0 411.484 -0.595 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000440299195 1070361368 /nfs/dbraw/zinc/36/13/68/1070361368.db2.gz USPAJRZZMFKGEI-CQSZACIVSA-N 1 0 411.484 -0.595 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(CCO)CCCO ZINC000440300609 1070361146 /nfs/dbraw/zinc/36/11/46/1070361146.db2.gz ARZHLINKQYMGFK-UHFFFAOYSA-N 1 0 408.499 -0.021 20 0 HBADRO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440301864 1070365244 /nfs/dbraw/zinc/36/52/44/1070365244.db2.gz HOWIBRVHYCWWHM-GFCCVEGCSA-N 1 0 403.439 -0.216 20 0 HBADRO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440301867 1070365417 /nfs/dbraw/zinc/36/54/17/1070365417.db2.gz HOWIBRVHYCWWHM-LBPRGKRZSA-N 1 0 403.439 -0.216 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000440308230 1070363269 /nfs/dbraw/zinc/36/32/69/1070363269.db2.gz XWOCNXHCFAFDJO-GOSISDBHSA-N 1 0 420.510 -0.005 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000440308233 1070363361 /nfs/dbraw/zinc/36/33/61/1070363361.db2.gz XWOCNXHCFAFDJO-SFHVURJKSA-N 1 0 420.510 -0.005 20 0 HBADRO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000440321732 1070366823 /nfs/dbraw/zinc/36/68/23/1070366823.db2.gz WMMLAPPFOBSWKE-IBGZPJMESA-N 1 0 406.527 -0.264 20 0 HBADRO COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000440321733 1070367001 /nfs/dbraw/zinc/36/70/01/1070367001.db2.gz WMMLAPPFOBSWKE-LJQANCHMSA-N 1 0 406.527 -0.264 20 0 HBADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342646 1070368572 /nfs/dbraw/zinc/36/85/72/1070368572.db2.gz LRBFVOCBJQWZHB-HKUYNNGSSA-N 1 0 423.583 -0.328 20 0 HBADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342648 1070368727 /nfs/dbraw/zinc/36/87/27/1070368727.db2.gz LRBFVOCBJQWZHB-IEBWSBKVSA-N 1 0 423.583 -0.328 20 0 HBADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342651 1070368935 /nfs/dbraw/zinc/36/89/35/1070368935.db2.gz LRBFVOCBJQWZHB-MJGOQNOKSA-N 1 0 423.583 -0.328 20 0 HBADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342654 1070369301 /nfs/dbraw/zinc/36/93/01/1070369301.db2.gz LRBFVOCBJQWZHB-PKOBYXMFSA-N 1 0 423.583 -0.328 20 0 HBADRO NS(=O)(=O)CCN1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000440348070 1070368154 /nfs/dbraw/zinc/36/81/54/1070368154.db2.gz XCVIHLFDVFYGAA-UHFFFAOYSA-N 1 0 423.583 -0.195 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000440378283 1070372645 /nfs/dbraw/zinc/37/26/45/1070372645.db2.gz UYDKUURNKRQRBW-AWEZNQCLSA-N 1 0 412.516 -0.242 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000440378285 1070372765 /nfs/dbraw/zinc/37/27/65/1070372765.db2.gz UYDKUURNKRQRBW-CQSZACIVSA-N 1 0 412.516 -0.242 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)c2)CC1 ZINC000440386964 1070374159 /nfs/dbraw/zinc/37/41/59/1070374159.db2.gz GFLOLWVEIWHKAT-KRWDZBQOSA-N 1 0 423.539 -0.348 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)c2)CC1 ZINC000440386967 1070373975 /nfs/dbraw/zinc/37/39/75/1070373975.db2.gz GFLOLWVEIWHKAT-QGZVFWFLSA-N 1 0 423.539 -0.348 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000440464370 1070402382 /nfs/dbraw/zinc/40/23/82/1070402382.db2.gz HOZVRQFPXUUGER-CVEARBPZSA-N 1 0 401.467 -0.204 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000440464374 1070402483 /nfs/dbraw/zinc/40/24/83/1070402483.db2.gz HOZVRQFPXUUGER-HOTGVXAUSA-N 1 0 401.467 -0.204 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000440464377 1070402255 /nfs/dbraw/zinc/40/22/55/1070402255.db2.gz HOZVRQFPXUUGER-HZPDHXFCSA-N 1 0 401.467 -0.204 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000440464379 1070402529 /nfs/dbraw/zinc/40/25/29/1070402529.db2.gz HOZVRQFPXUUGER-JKSUJKDBSA-N 1 0 401.467 -0.204 20 0 HBADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000440475516 1070413263 /nfs/dbraw/zinc/41/32/63/1070413263.db2.gz FPCYKUQDLQROFU-BHIYHBOVSA-N 1 0 412.508 -0.284 20 0 HBADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000440475518 1070413287 /nfs/dbraw/zinc/41/32/87/1070413287.db2.gz FPCYKUQDLQROFU-NEWSRXKRSA-N 1 0 412.508 -0.284 20 0 HBADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000440475519 1070413212 /nfs/dbraw/zinc/41/32/12/1070413212.db2.gz FPCYKUQDLQROFU-NZSAHSFTSA-N 1 0 412.508 -0.284 20 0 HBADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000440475521 1070413230 /nfs/dbraw/zinc/41/32/30/1070413230.db2.gz FPCYKUQDLQROFU-QRQLOZEOSA-N 1 0 412.508 -0.284 20 0 HBADRO COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440479692 1070417672 /nfs/dbraw/zinc/41/76/72/1070417672.db2.gz SEJQGLWRAPNMNI-FGTMMUONSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440479693 1070417453 /nfs/dbraw/zinc/41/74/53/1070417453.db2.gz SEJQGLWRAPNMNI-KURKYZTESA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440479694 1070417556 /nfs/dbraw/zinc/41/75/56/1070417556.db2.gz SEJQGLWRAPNMNI-KZNAEPCWSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440479695 1070417629 /nfs/dbraw/zinc/41/76/29/1070417629.db2.gz SEJQGLWRAPNMNI-SQNIBIBYSA-N 1 0 414.524 -0.340 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000440487996 1070457659 /nfs/dbraw/zinc/45/76/59/1070457659.db2.gz BKSGSFVGOIJPOO-INIZCTEOSA-N 1 0 401.467 -0.316 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000440487998 1070457620 /nfs/dbraw/zinc/45/76/20/1070457620.db2.gz BKSGSFVGOIJPOO-MRXNPFEDSA-N 1 0 401.467 -0.316 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2F)[C@H](N2CCOCC2)C1 ZINC000440492668 1070464430 /nfs/dbraw/zinc/46/44/30/1070464430.db2.gz ZDYVDOAUBKAPEH-BPQIPLTHSA-N 1 0 402.488 -0.209 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2F)[C@@H](N2CCOCC2)C1 ZINC000440492673 1070464756 /nfs/dbraw/zinc/46/47/56/1070464756.db2.gz ZDYVDOAUBKAPEH-NJAFHUGGSA-N 1 0 402.488 -0.209 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COCc2ccccc2F)[C@H](N2CCOCC2)C1 ZINC000440492674 1070464690 /nfs/dbraw/zinc/46/46/90/1070464690.db2.gz ZDYVDOAUBKAPEH-RYQLBKOJSA-N 1 0 402.488 -0.209 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COCc2ccccc2F)[C@@H](N2CCOCC2)C1 ZINC000440492677 1070464587 /nfs/dbraw/zinc/46/45/87/1070464587.db2.gz ZDYVDOAUBKAPEH-SZMVWBNQSA-N 1 0 402.488 -0.209 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c(C)c2)CC1 ZINC000440494721 1070469970 /nfs/dbraw/zinc/46/99/70/1070469970.db2.gz NEQLLQCSEAWXSI-INIZCTEOSA-N 1 0 401.467 -0.003 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c(C)c2)CC1 ZINC000440494757 1070470076 /nfs/dbraw/zinc/47/00/76/1070470076.db2.gz NEQLLQCSEAWXSI-MRXNPFEDSA-N 1 0 401.467 -0.003 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)CC1 ZINC000440495972 1070475533 /nfs/dbraw/zinc/47/55/33/1070475533.db2.gz MXBGPIWRRAFUIK-UHFFFAOYSA-N 1 0 407.559 -0.057 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000440501162 1070494670 /nfs/dbraw/zinc/49/46/70/1070494670.db2.gz PKPLPRAJWSDVAZ-IBGZPJMESA-N 1 0 421.523 -0.240 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000440501163 1070494833 /nfs/dbraw/zinc/49/48/33/1070494833.db2.gz PKPLPRAJWSDVAZ-LJQANCHMSA-N 1 0 421.523 -0.240 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc2n(C)c1=O ZINC000440506027 1070512038 /nfs/dbraw/zinc/51/20/38/1070512038.db2.gz PXFIZNSDRNNZTJ-JOCHJYFZSA-N 1 0 423.473 -0.001 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc2n(C)c1=O ZINC000440506028 1070512135 /nfs/dbraw/zinc/51/21/35/1070512135.db2.gz PXFIZNSDRNNZTJ-QFIPXVFZSA-N 1 0 423.473 -0.001 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@](C)(NCC(=O)OC(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000440506117 1070509832 /nfs/dbraw/zinc/50/98/32/1070509832.db2.gz DCJAJFUXCBVQTJ-FQEVSTJZSA-N 1 0 420.514 -0.171 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@](C)(NCC(=O)OC(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000440506121 1070509923 /nfs/dbraw/zinc/50/99/23/1070509923.db2.gz DCJAJFUXCBVQTJ-HXUWFJFHSA-N 1 0 420.514 -0.171 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000440508592 1070517535 /nfs/dbraw/zinc/51/75/35/1070517535.db2.gz VNTHFBBSVJGDHX-GOSISDBHSA-N 1 0 407.496 -0.548 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000440508596 1070517436 /nfs/dbraw/zinc/51/74/36/1070517436.db2.gz VNTHFBBSVJGDHX-SFHVURJKSA-N 1 0 407.496 -0.548 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000440509675 1070523858 /nfs/dbraw/zinc/52/38/58/1070523858.db2.gz PDDOEXFONBTUGF-KBPBESRZSA-N 1 0 406.526 -0.160 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000440509677 1070524403 /nfs/dbraw/zinc/52/44/03/1070524403.db2.gz PDDOEXFONBTUGF-KGLIPLIRSA-N 1 0 406.526 -0.160 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000440509679 1070524499 /nfs/dbraw/zinc/52/44/99/1070524499.db2.gz PDDOEXFONBTUGF-UONOGXRCSA-N 1 0 406.526 -0.160 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000440509681 1070524280 /nfs/dbraw/zinc/52/42/80/1070524280.db2.gz PDDOEXFONBTUGF-ZIAGYGMSSA-N 1 0 406.526 -0.160 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000440514362 1070530326 /nfs/dbraw/zinc/53/03/26/1070530326.db2.gz NZUISSWAASBTRT-HNNXBMFYSA-N 1 0 417.466 -0.382 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000440514394 1070530539 /nfs/dbraw/zinc/53/05/39/1070530539.db2.gz NZUISSWAASBTRT-OAHLLOKOSA-N 1 0 417.466 -0.382 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000440516451 1070530398 /nfs/dbraw/zinc/53/03/98/1070530398.db2.gz GTNSWJDRANRQEA-HNNXBMFYSA-N 1 0 417.466 -0.303 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000440516452 1070530427 /nfs/dbraw/zinc/53/04/27/1070530427.db2.gz GTNSWJDRANRQEA-OAHLLOKOSA-N 1 0 417.466 -0.303 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nc2n(C)c1=O ZINC000440517287 1070530582 /nfs/dbraw/zinc/53/05/82/1070530582.db2.gz SEHHJVJQFFFFQM-JOCHJYFZSA-N 1 0 423.473 -0.001 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nc2n(C)c1=O ZINC000440517289 1070530625 /nfs/dbraw/zinc/53/06/25/1070530625.db2.gz SEHHJVJQFFFFQM-QFIPXVFZSA-N 1 0 423.473 -0.001 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000440543496 1070531750 /nfs/dbraw/zinc/53/17/50/1070531750.db2.gz BUSNMBMKYQHWCC-CABCVRRESA-N 1 0 401.529 -0.041 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000440543498 1070531635 /nfs/dbraw/zinc/53/16/35/1070531635.db2.gz BUSNMBMKYQHWCC-GJZGRUSLSA-N 1 0 401.529 -0.041 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000440543500 1070532194 /nfs/dbraw/zinc/53/21/94/1070532194.db2.gz BUSNMBMKYQHWCC-HUUCEWRRSA-N 1 0 401.529 -0.041 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000440543502 1070532519 /nfs/dbraw/zinc/53/25/19/1070532519.db2.gz BUSNMBMKYQHWCC-LSDHHAIUSA-N 1 0 401.529 -0.041 20 0 HBADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000440545330 1070532230 /nfs/dbraw/zinc/53/22/30/1070532230.db2.gz CRVNCXWTBFONND-IBGZPJMESA-N 1 0 419.486 -0.430 20 0 HBADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000440545331 1070532367 /nfs/dbraw/zinc/53/23/67/1070532367.db2.gz CRVNCXWTBFONND-LJQANCHMSA-N 1 0 419.486 -0.430 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000440555509 1070535132 /nfs/dbraw/zinc/53/51/32/1070535132.db2.gz RKYSAROVIMJGRO-UHFFFAOYSA-N 1 0 400.487 -0.210 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000440558078 1070533622 /nfs/dbraw/zinc/53/36/22/1070533622.db2.gz DMZLXFGBEXMTLP-UHFFFAOYSA-N 1 0 400.501 -0.045 20 0 HBADRO CCC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000440566655 1070536495 /nfs/dbraw/zinc/53/64/95/1070536495.db2.gz LZHZWPNBAACLDD-HKBOAZHASA-N 1 0 414.591 -0.841 20 0 HBADRO CCC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000440566658 1070536446 /nfs/dbraw/zinc/53/64/46/1070536446.db2.gz LZHZWPNBAACLDD-NJDAHSKKSA-N 1 0 414.591 -0.841 20 0 HBADRO CCC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000440566661 1070536339 /nfs/dbraw/zinc/53/63/39/1070536339.db2.gz LZHZWPNBAACLDD-NJYVYQBISA-N 1 0 414.591 -0.841 20 0 HBADRO CCC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000440566665 1070536101 /nfs/dbraw/zinc/53/61/01/1070536101.db2.gz LZHZWPNBAACLDD-QHAWAJNXSA-N 1 0 414.591 -0.841 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(OC)c1 ZINC000440648798 1070542671 /nfs/dbraw/zinc/54/26/71/1070542671.db2.gz XSYYJNVLFNZLRC-KBPBESRZSA-N 1 0 402.469 -0.026 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(OC)c1 ZINC000440648799 1070542405 /nfs/dbraw/zinc/54/24/05/1070542405.db2.gz XSYYJNVLFNZLRC-KGLIPLIRSA-N 1 0 402.469 -0.026 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(OC)c1 ZINC000440648800 1070542866 /nfs/dbraw/zinc/54/28/66/1070542866.db2.gz XSYYJNVLFNZLRC-UONOGXRCSA-N 1 0 402.469 -0.026 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(OC)c1 ZINC000440648801 1070542538 /nfs/dbraw/zinc/54/25/38/1070542538.db2.gz XSYYJNVLFNZLRC-ZIAGYGMSSA-N 1 0 402.469 -0.026 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NCCN3CC[N@H+](C)C(C)(C)C3)nc2)CC1 ZINC000440667262 1069554889 /nfs/dbraw/zinc/55/48/89/1069554889.db2.gz CGDSDVZSQNPAAR-UHFFFAOYSA-N 1 0 410.588 0.456 20 0 HBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000440679135 1070546972 /nfs/dbraw/zinc/54/69/72/1070546972.db2.gz GVHZBNORUDPZHX-UHFFFAOYSA-N 1 0 420.510 -0.148 20 0 HBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000440679958 1070547083 /nfs/dbraw/zinc/54/70/83/1070547083.db2.gz WYNYEXAHQDJNDQ-UHFFFAOYSA-N 1 0 422.526 -0.299 20 0 HBADRO C[N@@H+]1CCN(CCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1(C)C ZINC000440683983 1070545033 /nfs/dbraw/zinc/54/50/33/1070545033.db2.gz ZNFYSMOSHSASAS-UHFFFAOYSA-N 1 0 409.556 0.390 20 0 HBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000440691664 1070545669 /nfs/dbraw/zinc/54/56/69/1070545669.db2.gz IOFXDAWZUPDDSB-UHFFFAOYSA-N 1 0 420.510 -0.228 20 0 HBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440696071 1070547629 /nfs/dbraw/zinc/54/76/29/1070547629.db2.gz SAGHWBKDIHELHH-UHFFFAOYSA-N 1 0 408.455 -0.456 20 0 HBADRO CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440697110 1070547760 /nfs/dbraw/zinc/54/77/60/1070547760.db2.gz LDRXRJYOUOOREP-UHFFFAOYSA-N 1 0 406.443 -0.518 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698330 1069346281 /nfs/dbraw/zinc/34/62/81/1069346281.db2.gz WLKJCUOMDLXBQR-MOPGFXCFSA-N 1 0 409.575 -0.349 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698337 1069346180 /nfs/dbraw/zinc/34/61/80/1069346180.db2.gz WLKJCUOMDLXBQR-OALUTQOASA-N 1 0 409.575 -0.349 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698338 1069345747 /nfs/dbraw/zinc/34/57/47/1069345747.db2.gz WLKJCUOMDLXBQR-RBUKOAKNSA-N 1 0 409.575 -0.349 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698630 1069345830 /nfs/dbraw/zinc/34/58/30/1069345830.db2.gz WLKJCUOMDLXBQR-RTBURBONSA-N 1 0 409.575 -0.349 20 0 HBADRO CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000440703642 1070548895 /nfs/dbraw/zinc/54/88/95/1070548895.db2.gz SEFTYNGXYQFREB-UHFFFAOYSA-N 1 0 420.514 -0.361 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1)N1CCOCC1 ZINC000440748721 1069348238 /nfs/dbraw/zinc/34/82/38/1069348238.db2.gz FEJFPWOPULIRHI-KRWDZBQOSA-N 1 0 404.515 -0.408 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1)N1CCOCC1 ZINC000440748723 1069348156 /nfs/dbraw/zinc/34/81/56/1069348156.db2.gz FEJFPWOPULIRHI-QGZVFWFLSA-N 1 0 404.515 -0.408 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)cn2)CC1 ZINC000440782193 1070555519 /nfs/dbraw/zinc/55/55/19/1070555519.db2.gz VEQZJXOVIRHQQX-UHFFFAOYSA-N 1 0 401.427 -0.167 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440791723 1070556911 /nfs/dbraw/zinc/55/69/11/1070556911.db2.gz JJIITMXUKUJKCK-UHFFFAOYSA-N 1 0 409.458 0.261 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)ccc2oc1=O ZINC000440792130 1070557062 /nfs/dbraw/zinc/55/70/62/1070557062.db2.gz LIBLONQXTBMFBC-UHFFFAOYSA-N 1 0 415.410 -0.566 20 0 HBADRO Cc1cc(C)n2nc(NC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)nc2n1 ZINC000440792415 1070557760 /nfs/dbraw/zinc/55/77/60/1070557760.db2.gz MGCDWQCWBCMBKE-UHFFFAOYSA-N 1 0 400.447 0.259 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)cc1 ZINC000440804385 1070558200 /nfs/dbraw/zinc/55/82/00/1070558200.db2.gz NSOGRJAFQJZTSQ-UHFFFAOYSA-N 1 0 401.427 -0.145 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)nn1 ZINC000440811394 1070558537 /nfs/dbraw/zinc/55/85/37/1070558537.db2.gz HDABGBBFZXKDFB-UHFFFAOYSA-N 1 0 402.459 -0.403 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000440816219 1070557543 /nfs/dbraw/zinc/55/75/43/1070557543.db2.gz LUTVPKNSPSHGNM-UHFFFAOYSA-N 1 0 402.459 -0.403 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000440827282 1070559086 /nfs/dbraw/zinc/55/90/86/1070559086.db2.gz QBEHHQOCITVRBC-UHFFFAOYSA-N 1 0 402.459 -0.403 20 0 HBADRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000440883837 1070561342 /nfs/dbraw/zinc/56/13/42/1070561342.db2.gz HBYDDEBZKGSCNY-UHFFFAOYSA-N 1 0 412.531 -0.299 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](CO)c2ccc(F)cc2)cn1 ZINC000440890291 1070561884 /nfs/dbraw/zinc/56/18/84/1070561884.db2.gz SEJZRTXJPGGOJD-INIZCTEOSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](CO)c2ccc(F)cc2)cn1 ZINC000440890292 1070561795 /nfs/dbraw/zinc/56/17/95/1070561795.db2.gz SEJZRTXJPGGOJD-MRXNPFEDSA-N 1 0 420.445 -0.512 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000440894724 1070561380 /nfs/dbraw/zinc/56/13/80/1070561380.db2.gz ZXTDUULNVJVBRG-INIZCTEOSA-N 1 0 405.430 0.143 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000440894738 1070561300 /nfs/dbraw/zinc/56/13/00/1070561300.db2.gz ZXTDUULNVJVBRG-MRXNPFEDSA-N 1 0 405.430 0.143 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440934406 1070563151 /nfs/dbraw/zinc/56/31/51/1070563151.db2.gz RPNHGTSHOUXQLO-HNNXBMFYSA-N 1 0 401.533 -0.418 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440934408 1070563345 /nfs/dbraw/zinc/56/33/45/1070563345.db2.gz RPNHGTSHOUXQLO-OAHLLOKOSA-N 1 0 401.533 -0.418 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCCO)CC2)c1 ZINC000440938211 1070563251 /nfs/dbraw/zinc/56/32/51/1070563251.db2.gz IFCCQWKZLCAGIY-UHFFFAOYSA-N 1 0 415.512 -0.149 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cnc2n(C)c1=O ZINC000440938888 1070564139 /nfs/dbraw/zinc/56/41/39/1070564139.db2.gz UOMNFHBCXYTCQQ-UHFFFAOYSA-N 1 0 403.487 -0.220 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000440940650 1070563884 /nfs/dbraw/zinc/56/38/84/1070563884.db2.gz HUSUGJRIGYOELT-AWEZNQCLSA-N 1 0 415.560 -0.170 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000440940652 1070563846 /nfs/dbraw/zinc/56/38/46/1070563846.db2.gz HUSUGJRIGYOELT-CQSZACIVSA-N 1 0 415.560 -0.170 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000440941366 1070563696 /nfs/dbraw/zinc/56/36/96/1070563696.db2.gz JVUJOCFGWWWHIH-UHFFFAOYSA-N 1 0 401.467 -0.073 20 0 HBADRO C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000440942878 1070563674 /nfs/dbraw/zinc/56/36/74/1070563674.db2.gz PAQBZPADICXMLE-UHFFFAOYSA-N 1 0 413.496 -0.395 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000440944390 1070564072 /nfs/dbraw/zinc/56/40/72/1070564072.db2.gz VWMGCTVGKFPAEU-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCCO)CC2)cc1OC ZINC000440947145 1070562360 /nfs/dbraw/zinc/56/23/60/1070562360.db2.gz BXVMCTABAKWRLK-UHFFFAOYSA-N 1 0 415.512 -0.149 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000440955223 1070565968 /nfs/dbraw/zinc/56/59/68/1070565968.db2.gz JMKOYWAYUZANAI-UHFFFAOYSA-N 1 0 404.515 0.241 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)CC1)N1CCOCC1 ZINC000440963902 1068268027 /nfs/dbraw/zinc/26/80/27/1068268027.db2.gz XIGPSBRHNYZBSS-UHFFFAOYSA-N 1 0 404.515 -0.408 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000440963908 1070564634 /nfs/dbraw/zinc/56/46/34/1070564634.db2.gz XILBKUXFLGMIHM-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)cnc2n(C)c1=O ZINC000440965240 1070565326 /nfs/dbraw/zinc/56/53/26/1070565326.db2.gz ZBGHFNITBUDZGM-UHFFFAOYSA-N 1 0 414.466 -0.343 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000440977790 1070568110 /nfs/dbraw/zinc/56/81/10/1070568110.db2.gz BWXTYUDVHOFIPY-KRWDZBQOSA-N 1 0 408.499 -0.283 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000440977792 1070567718 /nfs/dbraw/zinc/56/77/18/1070567718.db2.gz BWXTYUDVHOFIPY-QGZVFWFLSA-N 1 0 408.499 -0.283 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000440978145 1070567943 /nfs/dbraw/zinc/56/79/43/1070567943.db2.gz JVOKPRRJRGEMKR-UHFFFAOYSA-N 1 0 404.563 -0.076 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1(C)C ZINC000440984741 1070567300 /nfs/dbraw/zinc/56/73/00/1070567300.db2.gz SANHIWOAGPREMX-UHFFFAOYSA-N 1 0 408.547 -0.511 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1(C)C ZINC000440985116 1070577040 /nfs/dbraw/zinc/57/70/40/1070577040.db2.gz LRSSFSMAVBNLER-INIZCTEOSA-N 1 0 419.592 -0.200 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1(C)C ZINC000440985123 1070577078 /nfs/dbraw/zinc/57/70/78/1070577078.db2.gz LRSSFSMAVBNLER-MRXNPFEDSA-N 1 0 419.592 -0.200 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1(C)C ZINC000440986487 1070573051 /nfs/dbraw/zinc/57/30/51/1070573051.db2.gz NXDRYFJKTQYCEU-UHFFFAOYSA-N 1 0 407.606 -0.310 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1(C)C ZINC000440988122 1070573107 /nfs/dbraw/zinc/57/31/07/1070573107.db2.gz YDXXFYCJVWFFIZ-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1(C)C ZINC000440988638 1070568701 /nfs/dbraw/zinc/56/87/01/1070568701.db2.gz ZNVILKZUDZEODP-UHFFFAOYSA-N 1 0 402.521 -0.581 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000440990016 1070568610 /nfs/dbraw/zinc/56/86/10/1070568610.db2.gz MGHBBYPMBWMRMG-KRWDZBQOSA-N 1 0 408.499 -0.283 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000440990022 1070568967 /nfs/dbraw/zinc/56/89/67/1070568967.db2.gz MGHBBYPMBWMRMG-QGZVFWFLSA-N 1 0 408.499 -0.283 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)[C@@H](C)C1 ZINC000441023049 1069617412 /nfs/dbraw/zinc/61/74/12/1069617412.db2.gz CTCQGANWGBAWDM-DLBZAZTESA-N 1 0 406.531 0.343 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)[C@H](C)C1 ZINC000441023051 1070575958 /nfs/dbraw/zinc/57/59/58/1070575958.db2.gz CTCQGANWGBAWDM-IAGOWNOFSA-N 1 0 406.531 0.343 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)[C@@H](C)C1 ZINC000441023053 1070575634 /nfs/dbraw/zinc/57/56/34/1070575634.db2.gz CTCQGANWGBAWDM-IRXDYDNUSA-N 1 0 406.531 0.343 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)[C@H](C)C1 ZINC000441023055 1070575877 /nfs/dbraw/zinc/57/58/77/1070575877.db2.gz CTCQGANWGBAWDM-SJORKVTESA-N 1 0 406.531 0.343 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)CC1 ZINC000441023700 1070576381 /nfs/dbraw/zinc/57/63/81/1070576381.db2.gz FYMCQRKZUFNKSS-UHFFFAOYSA-N 1 0 422.618 -0.291 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1(C)C ZINC000441024806 1070576407 /nfs/dbraw/zinc/57/64/07/1070576407.db2.gz HOTFNPFMEYHYEC-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)no1 ZINC000441037238 1069596318 /nfs/dbraw/zinc/59/63/18/1069596318.db2.gz YDQVPOKNIHBRCO-UHFFFAOYSA-N 1 0 421.546 0.275 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000441055100 1070579688 /nfs/dbraw/zinc/57/96/88/1070579688.db2.gz ARHPQLQRSCIZHR-HNNXBMFYSA-N 1 0 420.558 -0.272 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000441055101 1070579966 /nfs/dbraw/zinc/57/99/66/1070579966.db2.gz ARHPQLQRSCIZHR-OAHLLOKOSA-N 1 0 420.558 -0.272 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000441059077 1070578645 /nfs/dbraw/zinc/57/86/45/1070578645.db2.gz FXEFTXPYXMCFCY-DOMZBBRYSA-N 1 0 416.482 -0.241 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000441059078 1070578226 /nfs/dbraw/zinc/57/82/26/1070578226.db2.gz FXEFTXPYXMCFCY-IUODEOHRSA-N 1 0 416.482 -0.241 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000441059079 1070578582 /nfs/dbraw/zinc/57/85/82/1070578582.db2.gz FXEFTXPYXMCFCY-SWLSCSKDSA-N 1 0 416.482 -0.241 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000441059080 1070578735 /nfs/dbraw/zinc/57/87/35/1070578735.db2.gz FXEFTXPYXMCFCY-WFASDCNBSA-N 1 0 416.482 -0.241 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000441061279 1070578611 /nfs/dbraw/zinc/57/86/11/1070578611.db2.gz WGGAROHJDKXCPK-UHFFFAOYSA-N 1 0 406.531 -0.661 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000441062147 1070578258 /nfs/dbraw/zinc/57/82/58/1070578258.db2.gz LJENDOUQMGBXNY-UHFFFAOYSA-N 1 0 417.558 -0.076 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000441064377 1070579304 /nfs/dbraw/zinc/57/93/04/1070579304.db2.gz NLJLTAPLFPQIFS-CYBMUJFWSA-N 1 0 412.516 -0.774 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000441064378 1070579065 /nfs/dbraw/zinc/57/90/65/1070579065.db2.gz NLJLTAPLFPQIFS-ZDUSSCGKSA-N 1 0 412.516 -0.774 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000441072775 1070581904 /nfs/dbraw/zinc/58/19/04/1070581904.db2.gz JSKHYIJZFSMWCP-UHFFFAOYSA-N 1 0 417.620 -0.126 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441078702 1070580560 /nfs/dbraw/zinc/58/05/60/1070580560.db2.gz WXNQJEPTJFJJGE-INIZCTEOSA-N 1 0 410.544 -0.083 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441078704 1070580334 /nfs/dbraw/zinc/58/03/34/1070580334.db2.gz WXNQJEPTJFJJGE-MRXNPFEDSA-N 1 0 410.544 -0.083 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000441082401 1070580380 /nfs/dbraw/zinc/58/03/80/1070580380.db2.gz ZTKRUPSJJRGYCG-DLBZAZTESA-N 1 0 404.577 -0.139 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000441082402 1070580495 /nfs/dbraw/zinc/58/04/95/1070580495.db2.gz ZTKRUPSJJRGYCG-IAGOWNOFSA-N 1 0 404.577 -0.139 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000441082403 1070580616 /nfs/dbraw/zinc/58/06/16/1070580616.db2.gz ZTKRUPSJJRGYCG-IRXDYDNUSA-N 1 0 404.577 -0.139 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000441082404 1070580670 /nfs/dbraw/zinc/58/06/70/1070580670.db2.gz ZTKRUPSJJRGYCG-SJORKVTESA-N 1 0 404.577 -0.139 20 0 HBADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083141 1070580245 /nfs/dbraw/zinc/58/02/45/1070580245.db2.gz CDVYLVUCKCKWHX-CABCVRRESA-N 1 0 407.519 -0.560 20 0 HBADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083142 1070580434 /nfs/dbraw/zinc/58/04/34/1070580434.db2.gz CDVYLVUCKCKWHX-GJZGRUSLSA-N 1 0 407.519 -0.560 20 0 HBADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083186 1070580585 /nfs/dbraw/zinc/58/05/85/1070580585.db2.gz CDVYLVUCKCKWHX-HUUCEWRRSA-N 1 0 407.519 -0.560 20 0 HBADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083187 1070580463 /nfs/dbraw/zinc/58/04/63/1070580463.db2.gz CDVYLVUCKCKWHX-LSDHHAIUSA-N 1 0 407.519 -0.560 20 0 HBADRO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000441110300 1070583044 /nfs/dbraw/zinc/58/30/44/1070583044.db2.gz HAZPCAQCQPKOET-UHFFFAOYSA-N 1 0 408.499 -0.542 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000441169744 1070585759 /nfs/dbraw/zinc/58/57/59/1070585759.db2.gz RUAOYZXKYNYXLX-CYBMUJFWSA-N 1 0 405.471 -0.212 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000441169745 1070585942 /nfs/dbraw/zinc/58/59/42/1070585942.db2.gz RUAOYZXKYNYXLX-ZDUSSCGKSA-N 1 0 405.471 -0.212 20 0 HBADRO CCN(CC)C(=O)C[N@@H+]1CCCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441190569 1070587075 /nfs/dbraw/zinc/58/70/75/1070587075.db2.gz CGAXDQSSPVPZIR-UHFFFAOYSA-N 1 0 400.549 -0.426 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1)N1CCOCC1 ZINC000441201841 1068277661 /nfs/dbraw/zinc/27/76/61/1068277661.db2.gz GRCLHRQFCSHSKE-MOPGFXCFSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1)N1CCOCC1 ZINC000441201843 1068277579 /nfs/dbraw/zinc/27/75/79/1068277579.db2.gz GRCLHRQFCSHSKE-OALUTQOASA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1)N1CCOCC1 ZINC000441201845 1068277752 /nfs/dbraw/zinc/27/77/52/1068277752.db2.gz GRCLHRQFCSHSKE-RBUKOAKNSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1)N1CCOCC1 ZINC000441201847 1068277486 /nfs/dbraw/zinc/27/74/86/1068277486.db2.gz GRCLHRQFCSHSKE-RTBURBONSA-N 1 0 408.543 -0.262 20 0 HBADRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441213924 1070590368 /nfs/dbraw/zinc/59/03/68/1070590368.db2.gz ZSUVZVLUZMFJQW-AWEZNQCLSA-N 1 0 416.438 0.026 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(N3CCCNC3=O)CC1)c(=O)n2C ZINC000441215721 1070589078 /nfs/dbraw/zinc/58/90/78/1070589078.db2.gz FAMLTBWEHLLWPM-UHFFFAOYSA-N 1 0 403.487 -0.297 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(=O)[nH]c1=O ZINC000441247751 1070592254 /nfs/dbraw/zinc/59/22/54/1070592254.db2.gz SVCJEWNZUSDKBK-GZBFAFLISA-N 1 0 409.487 -0.456 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(=O)[nH]c1=O ZINC000441247752 1070592184 /nfs/dbraw/zinc/59/21/84/1070592184.db2.gz SVCJEWNZUSDKBK-KCQAQPDRSA-N 1 0 409.487 -0.456 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(=O)[nH]c1=O ZINC000441247753 1070592350 /nfs/dbraw/zinc/59/23/50/1070592350.db2.gz SVCJEWNZUSDKBK-UMVBOHGHSA-N 1 0 409.487 -0.456 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(=O)[nH]c1=O ZINC000441247754 1070592290 /nfs/dbraw/zinc/59/22/90/1070592290.db2.gz SVCJEWNZUSDKBK-VNHYZAJKSA-N 1 0 409.487 -0.456 20 0 HBADRO COCCN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000441253147 1070593032 /nfs/dbraw/zinc/59/30/32/1070593032.db2.gz AIHBUBURQZLOOM-BRSBDYLESA-N 1 0 417.572 -0.168 20 0 HBADRO COCCN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000441253148 1070592968 /nfs/dbraw/zinc/59/29/68/1070592968.db2.gz AIHBUBURQZLOOM-VSZNYVQBSA-N 1 0 417.572 -0.168 20 0 HBADRO COCCN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000441253149 1070593077 /nfs/dbraw/zinc/59/30/77/1070593077.db2.gz AIHBUBURQZLOOM-XMTFNYHQSA-N 1 0 417.572 -0.168 20 0 HBADRO COCCN(C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000441253150 1070593100 /nfs/dbraw/zinc/59/31/00/1070593100.db2.gz AIHBUBURQZLOOM-ZJPYXAASSA-N 1 0 417.572 -0.168 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441279714 1070594919 /nfs/dbraw/zinc/59/49/19/1070594919.db2.gz BIBBYMZFQDOWCD-GDBMZVCRSA-N 1 0 415.560 -0.048 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441279717 1070594951 /nfs/dbraw/zinc/59/49/51/1070594951.db2.gz BIBBYMZFQDOWCD-GOEBONIOSA-N 1 0 415.560 -0.048 20 0 HBADRO C[C@H]1C[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441279720 1070594656 /nfs/dbraw/zinc/59/46/56/1070594656.db2.gz BIBBYMZFQDOWCD-HOCLYGCPSA-N 1 0 415.560 -0.048 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441279723 1070594722 /nfs/dbraw/zinc/59/47/22/1070594722.db2.gz BIBBYMZFQDOWCD-ZBFHGGJFSA-N 1 0 415.560 -0.048 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291291 1070596276 /nfs/dbraw/zinc/59/62/76/1070596276.db2.gz RCLXJDXJQUXSKD-CVEARBPZSA-N 1 0 414.576 -0.569 20 0 HBADRO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291293 1070595924 /nfs/dbraw/zinc/59/59/24/1070595924.db2.gz RCLXJDXJQUXSKD-HOTGVXAUSA-N 1 0 414.576 -0.569 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291295 1070596145 /nfs/dbraw/zinc/59/61/45/1070596145.db2.gz RCLXJDXJQUXSKD-HZPDHXFCSA-N 1 0 414.576 -0.569 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291297 1070596050 /nfs/dbraw/zinc/59/60/50/1070596050.db2.gz RCLXJDXJQUXSKD-JKSUJKDBSA-N 1 0 414.576 -0.569 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)cc2)CC1 ZINC000441298052 1070596355 /nfs/dbraw/zinc/59/63/55/1070596355.db2.gz ULLRBDYURLXARX-UHFFFAOYSA-N 1 0 413.482 -0.074 20 0 HBADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)c2)CC1 ZINC000441303175 1070595464 /nfs/dbraw/zinc/59/54/64/1070595464.db2.gz OUYZOGPRLGIAIC-UHFFFAOYSA-N 1 0 411.466 -0.003 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441314729 1070597625 /nfs/dbraw/zinc/59/76/25/1070597625.db2.gz XNTPZJGTZHVOPK-CABCVRRESA-N 1 0 401.533 -0.484 20 0 HBADRO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441314734 1070597460 /nfs/dbraw/zinc/59/74/60/1070597460.db2.gz XNTPZJGTZHVOPK-GJZGRUSLSA-N 1 0 401.533 -0.484 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441314736 1070597404 /nfs/dbraw/zinc/59/74/04/1070597404.db2.gz XNTPZJGTZHVOPK-HUUCEWRRSA-N 1 0 401.533 -0.484 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000441314740 1070597562 /nfs/dbraw/zinc/59/75/62/1070597562.db2.gz XNTPZJGTZHVOPK-LSDHHAIUSA-N 1 0 401.533 -0.484 20 0 HBADRO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000441319588 1070598132 /nfs/dbraw/zinc/59/81/32/1070598132.db2.gz AAZMAFZFRRQZBD-IBGZPJMESA-N 1 0 408.455 -0.077 20 0 HBADRO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000441319591 1070598173 /nfs/dbraw/zinc/59/81/73/1070598173.db2.gz AAZMAFZFRRQZBD-LJQANCHMSA-N 1 0 408.455 -0.077 20 0 HBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441323406 1070598815 /nfs/dbraw/zinc/59/88/15/1070598815.db2.gz KFTIRGJBEOXGFG-IBGZPJMESA-N 1 0 409.575 -0.204 20 0 HBADRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441323407 1070598717 /nfs/dbraw/zinc/59/87/17/1070598717.db2.gz KFTIRGJBEOXGFG-LJQANCHMSA-N 1 0 409.575 -0.204 20 0 HBADRO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000441329730 1070599818 /nfs/dbraw/zinc/59/98/18/1070599818.db2.gz DEAQGWWIYZWLLA-FQEVSTJZSA-N 1 0 406.483 -0.197 20 0 HBADRO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000441329732 1070600043 /nfs/dbraw/zinc/60/00/43/1070600043.db2.gz DEAQGWWIYZWLLA-HXUWFJFHSA-N 1 0 406.483 -0.197 20 0 HBADRO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000441345452 1070604756 /nfs/dbraw/zinc/60/47/56/1070604756.db2.gz LBUYHJYLWVBHBQ-IBGZPJMESA-N 1 0 422.438 -0.475 20 0 HBADRO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000441345453 1070605045 /nfs/dbraw/zinc/60/50/45/1070605045.db2.gz LBUYHJYLWVBHBQ-LJQANCHMSA-N 1 0 422.438 -0.475 20 0 HBADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(=O)n(C)c1=O ZINC000441349640 1070606127 /nfs/dbraw/zinc/60/61/27/1070606127.db2.gz PMLQTTXUDDPORQ-UHFFFAOYSA-N 1 0 404.851 -0.055 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000441352736 1070601669 /nfs/dbraw/zinc/60/16/69/1070601669.db2.gz UROSBNXFJVBCHX-GXTWGEPZSA-N 1 0 424.502 -0.719 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000441352740 1070601542 /nfs/dbraw/zinc/60/15/42/1070601542.db2.gz UROSBNXFJVBCHX-JSGCOSHPSA-N 1 0 424.502 -0.719 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000441352744 1070601495 /nfs/dbraw/zinc/60/14/95/1070601495.db2.gz UROSBNXFJVBCHX-OCCSQVGLSA-N 1 0 424.502 -0.719 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000441352747 1070601576 /nfs/dbraw/zinc/60/15/76/1070601576.db2.gz UROSBNXFJVBCHX-TZMCWYRMSA-N 1 0 424.502 -0.719 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000441353378 1070602306 /nfs/dbraw/zinc/60/23/06/1070602306.db2.gz VRNDKQCGHNRQBY-KBXCAEBGSA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000441353379 1070602201 /nfs/dbraw/zinc/60/22/01/1070602201.db2.gz VRNDKQCGHNRQBY-KDOFPFPSSA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000441353380 1070602128 /nfs/dbraw/zinc/60/21/28/1070602128.db2.gz VRNDKQCGHNRQBY-KSSFIOAISA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000441353381 1070602271 /nfs/dbraw/zinc/60/22/71/1070602271.db2.gz VRNDKQCGHNRQBY-RDTXWAMCSA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000441358987 1070602951 /nfs/dbraw/zinc/60/29/51/1070602951.db2.gz PXBFOKKDTYTFKJ-CRAIPNDOSA-N 1 0 408.524 -0.225 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000441358992 1070603960 /nfs/dbraw/zinc/60/39/60/1070603960.db2.gz PXBFOKKDTYTFKJ-MAUKXSAKSA-N 1 0 408.524 -0.225 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000441358995 1070604029 /nfs/dbraw/zinc/60/40/29/1070604029.db2.gz PXBFOKKDTYTFKJ-QAPCUYQASA-N 1 0 408.524 -0.225 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000441358998 1070603942 /nfs/dbraw/zinc/60/39/42/1070603942.db2.gz PXBFOKKDTYTFKJ-YJBOKZPZSA-N 1 0 408.524 -0.225 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000441359229 1070603910 /nfs/dbraw/zinc/60/39/10/1070603910.db2.gz UPKRMEAGQLLWHR-CXAGYDPISA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000441359232 1070604156 /nfs/dbraw/zinc/60/41/56/1070604156.db2.gz UPKRMEAGQLLWHR-DYVFJYSZSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000441359235 1070604198 /nfs/dbraw/zinc/60/41/98/1070604198.db2.gz UPKRMEAGQLLWHR-GUYCJALGSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000441359238 1070604168 /nfs/dbraw/zinc/60/41/68/1070604168.db2.gz UPKRMEAGQLLWHR-SUMWQHHRSA-N 1 0 412.487 -0.227 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000441362651 1070605088 /nfs/dbraw/zinc/60/50/88/1070605088.db2.gz WCFVDQMDNZZZQV-ABAIWWIYSA-N 1 0 413.500 -0.761 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)CC1 ZINC000441362653 1070604853 /nfs/dbraw/zinc/60/48/53/1070604853.db2.gz WCFVDQMDNZZZQV-IAQYHMDHSA-N 1 0 413.500 -0.761 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000441362655 1070605069 /nfs/dbraw/zinc/60/50/69/1070605069.db2.gz WCFVDQMDNZZZQV-NHYWBVRUSA-N 1 0 413.500 -0.761 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000441362657 1070604900 /nfs/dbraw/zinc/60/49/00/1070604900.db2.gz WCFVDQMDNZZZQV-XHDPSFHLSA-N 1 0 413.500 -0.761 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(=O)[nH]c1=O ZINC000441372438 1070608759 /nfs/dbraw/zinc/60/87/59/1070608759.db2.gz PGUUVSZIZQLQCP-GXTWGEPZSA-N 1 0 424.502 -0.575 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(=O)[nH]c1=O ZINC000441372441 1070608631 /nfs/dbraw/zinc/60/86/31/1070608631.db2.gz PGUUVSZIZQLQCP-JSGCOSHPSA-N 1 0 424.502 -0.575 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(=O)[nH]c1=O ZINC000441372443 1070608575 /nfs/dbraw/zinc/60/85/75/1070608575.db2.gz PGUUVSZIZQLQCP-OCCSQVGLSA-N 1 0 424.502 -0.575 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(=O)[nH]c1=O ZINC000441372445 1070608768 /nfs/dbraw/zinc/60/87/68/1070608768.db2.gz PGUUVSZIZQLQCP-TZMCWYRMSA-N 1 0 424.502 -0.575 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441374329 1070609342 /nfs/dbraw/zinc/60/93/42/1070609342.db2.gz VQCJJEDBOVSUCU-KBXCAEBGSA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441374330 1070609310 /nfs/dbraw/zinc/60/93/10/1070609310.db2.gz VQCJJEDBOVSUCU-KDOFPFPSSA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441374331 1070609486 /nfs/dbraw/zinc/60/94/86/1070609486.db2.gz VQCJJEDBOVSUCU-KSSFIOAISA-N 1 0 424.523 -0.562 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441374332 1070609431 /nfs/dbraw/zinc/60/94/31/1070609431.db2.gz VQCJJEDBOVSUCU-RDTXWAMCSA-N 1 0 424.523 -0.562 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@@H]3C)CC2)cc1 ZINC000441382537 1070606315 /nfs/dbraw/zinc/60/63/15/1070606315.db2.gz IZYXPJCQEYHOAE-KBXCAEBGSA-N 1 0 424.523 -0.358 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@H]3C)CC2)cc1 ZINC000441382538 1070607110 /nfs/dbraw/zinc/60/71/10/1070607110.db2.gz IZYXPJCQEYHOAE-KDOFPFPSSA-N 1 0 424.523 -0.358 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)CC2)cc1 ZINC000441382539 1070607014 /nfs/dbraw/zinc/60/70/14/1070607014.db2.gz IZYXPJCQEYHOAE-KSSFIOAISA-N 1 0 424.523 -0.358 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@H]3C)CC2)cc1 ZINC000441382540 1070607034 /nfs/dbraw/zinc/60/70/34/1070607034.db2.gz IZYXPJCQEYHOAE-RDTXWAMCSA-N 1 0 424.523 -0.358 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000441387700 1070610200 /nfs/dbraw/zinc/61/02/00/1070610200.db2.gz QXSLUPRXRQBIEP-CXAGYDPISA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000441387701 1070610345 /nfs/dbraw/zinc/61/03/45/1070610345.db2.gz QXSLUPRXRQBIEP-DYVFJYSZSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000441387702 1070610222 /nfs/dbraw/zinc/61/02/22/1070610222.db2.gz QXSLUPRXRQBIEP-GUYCJALGSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000441387703 1070610123 /nfs/dbraw/zinc/61/01/23/1070610123.db2.gz QXSLUPRXRQBIEP-SUMWQHHRSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000441388214 1070610071 /nfs/dbraw/zinc/61/00/71/1070610071.db2.gz RVKCSVRQPVTFOU-BJZITVGISA-N 1 0 416.478 -0.389 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000441388215 1070610264 /nfs/dbraw/zinc/61/02/64/1070610264.db2.gz RVKCSVRQPVTFOU-DKSSEZFCSA-N 1 0 416.478 -0.389 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000441388216 1070610352 /nfs/dbraw/zinc/61/03/52/1070610352.db2.gz RVKCSVRQPVTFOU-LJHODMEESA-N 1 0 416.478 -0.389 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000441388217 1070611249 /nfs/dbraw/zinc/61/12/49/1070611249.db2.gz RVKCSVRQPVTFOU-LSBZLQRGSA-N 1 0 416.478 -0.389 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000441390748 1070611240 /nfs/dbraw/zinc/61/12/40/1070611240.db2.gz YLKLEUARHYQSES-CXAGYDPISA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000441390749 1070611158 /nfs/dbraw/zinc/61/11/58/1070611158.db2.gz YLKLEUARHYQSES-DYVFJYSZSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000441390750 1070611175 /nfs/dbraw/zinc/61/11/75/1070611175.db2.gz YLKLEUARHYQSES-GUYCJALGSA-N 1 0 412.487 -0.227 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000441390751 1070611229 /nfs/dbraw/zinc/61/12/29/1070611229.db2.gz YLKLEUARHYQSES-SUMWQHHRSA-N 1 0 412.487 -0.227 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000441410596 1070613582 /nfs/dbraw/zinc/61/35/82/1070613582.db2.gz QOPIWUGNBYXYIE-GOSISDBHSA-N 1 0 409.575 -0.158 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000441410598 1070613532 /nfs/dbraw/zinc/61/35/32/1070613532.db2.gz QOPIWUGNBYXYIE-SFHVURJKSA-N 1 0 409.575 -0.158 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nn1 ZINC000441434471 1070639472 /nfs/dbraw/zinc/63/94/72/1070639472.db2.gz LDYQQEONGURTPJ-UHFFFAOYSA-N 1 0 416.486 -0.061 20 0 HBADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCOCC1 ZINC000441435857 1069573414 /nfs/dbraw/zinc/57/34/14/1069573414.db2.gz CXRCMJZEBRSSTE-INIZCTEOSA-N 1 0 400.439 0.205 20 0 HBADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCOCC1 ZINC000441435858 1070640372 /nfs/dbraw/zinc/64/03/72/1070640372.db2.gz CXRCMJZEBRSSTE-MRXNPFEDSA-N 1 0 400.439 0.205 20 0 HBADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000441443685 1070644092 /nfs/dbraw/zinc/64/40/92/1070644092.db2.gz DFOQJGGRXOEQKK-CABCVRRESA-N 1 0 407.519 0.322 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000441443688 1070644113 /nfs/dbraw/zinc/64/41/13/1070644113.db2.gz DFOQJGGRXOEQKK-GJZGRUSLSA-N 1 0 407.519 0.322 20 0 HBADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000441443691 1070644120 /nfs/dbraw/zinc/64/41/20/1070644120.db2.gz DFOQJGGRXOEQKK-HUUCEWRRSA-N 1 0 407.519 0.322 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000441443695 1070644133 /nfs/dbraw/zinc/64/41/33/1070644133.db2.gz DFOQJGGRXOEQKK-LSDHHAIUSA-N 1 0 407.519 0.322 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000441445026 1070644710 /nfs/dbraw/zinc/64/47/10/1070644710.db2.gz VFDHBNSOLHPESH-UHFFFAOYSA-N 1 0 401.475 -0.051 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000441465238 1070651072 /nfs/dbraw/zinc/65/10/72/1070651072.db2.gz AAAHEAWDRZQMRP-DOTOQJQBSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000441465246 1070651188 /nfs/dbraw/zinc/65/11/88/1070651188.db2.gz AAAHEAWDRZQMRP-NVXWUHKLSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000441465250 1070651325 /nfs/dbraw/zinc/65/13/25/1070651325.db2.gz AAAHEAWDRZQMRP-RDJZCZTQSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000441465252 1070651282 /nfs/dbraw/zinc/65/12/82/1070651282.db2.gz AAAHEAWDRZQMRP-WBVHZDCISA-N 1 0 418.498 -0.377 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cnc2n(C)c1=O ZINC000441467674 1070651355 /nfs/dbraw/zinc/65/13/55/1070651355.db2.gz CPOSUTIMNLPASF-DOMZBBRYSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cnc2n(C)c1=O ZINC000441467675 1070652029 /nfs/dbraw/zinc/65/20/29/1070652029.db2.gz CPOSUTIMNLPASF-IUODEOHRSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cnc2n(C)c1=O ZINC000441467676 1070651935 /nfs/dbraw/zinc/65/19/35/1070651935.db2.gz CPOSUTIMNLPASF-SWLSCSKDSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cnc2n(C)c1=O ZINC000441467677 1070651748 /nfs/dbraw/zinc/65/17/48/1070651748.db2.gz CPOSUTIMNLPASF-WFASDCNBSA-N 1 0 414.466 -0.487 20 0 HBADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441478506 1070656368 /nfs/dbraw/zinc/65/63/68/1070656368.db2.gz UAMAARMQFZHXJM-FQEVSTJZSA-N 1 0 421.586 -0.203 20 0 HBADRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441478507 1070656137 /nfs/dbraw/zinc/65/61/37/1070656137.db2.gz UAMAARMQFZHXJM-HXUWFJFHSA-N 1 0 421.586 -0.203 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000441479129 1070656183 /nfs/dbraw/zinc/65/61/83/1070656183.db2.gz YTEJDWSTOGMPGY-GDBMZVCRSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000441479131 1070656300 /nfs/dbraw/zinc/65/63/00/1070656300.db2.gz YTEJDWSTOGMPGY-GOEBONIOSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000441479133 1070656120 /nfs/dbraw/zinc/65/61/20/1070656120.db2.gz YTEJDWSTOGMPGY-HOCLYGCPSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000441479136 1070656316 /nfs/dbraw/zinc/65/63/16/1070656316.db2.gz YTEJDWSTOGMPGY-ZBFHGGJFSA-N 1 0 400.483 -0.101 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000441485469 1070658297 /nfs/dbraw/zinc/65/82/97/1070658297.db2.gz IFRKGFKFCRAXGW-UHFFFAOYSA-N 1 0 412.502 -0.430 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441486623 1070659157 /nfs/dbraw/zinc/65/91/57/1070659157.db2.gz DDOKFSPGSZNDAX-GDBMZVCRSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441486624 1070659221 /nfs/dbraw/zinc/65/92/21/1070659221.db2.gz DDOKFSPGSZNDAX-GOEBONIOSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441486625 1070659297 /nfs/dbraw/zinc/65/92/97/1070659297.db2.gz DDOKFSPGSZNDAX-HOCLYGCPSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441486626 1070659368 /nfs/dbraw/zinc/65/93/68/1070659368.db2.gz DDOKFSPGSZNDAX-ZBFHGGJFSA-N 1 0 406.487 -0.473 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000441490838 1070660166 /nfs/dbraw/zinc/66/01/66/1070660166.db2.gz WSQFRUNMIDXESG-GDBMZVCRSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000441490839 1070660080 /nfs/dbraw/zinc/66/00/80/1070660080.db2.gz WSQFRUNMIDXESG-GOEBONIOSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000441490840 1070659983 /nfs/dbraw/zinc/65/99/83/1070659983.db2.gz WSQFRUNMIDXESG-HOCLYGCPSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000441490841 1070660103 /nfs/dbraw/zinc/66/01/03/1070660103.db2.gz WSQFRUNMIDXESG-ZBFHGGJFSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000441492013 1070660794 /nfs/dbraw/zinc/66/07/94/1070660794.db2.gz PLLOSEASARJPBK-CVEARBPZSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000441492016 1070660900 /nfs/dbraw/zinc/66/09/00/1070660900.db2.gz PLLOSEASARJPBK-HOTGVXAUSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000441492018 1070660882 /nfs/dbraw/zinc/66/08/82/1070660882.db2.gz PLLOSEASARJPBK-HZPDHXFCSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000441492020 1070660877 /nfs/dbraw/zinc/66/08/77/1070660877.db2.gz PLLOSEASARJPBK-JKSUJKDBSA-N 1 0 418.498 -0.377 20 0 HBADRO COCCOC1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000441511754 1070666321 /nfs/dbraw/zinc/66/63/21/1070666321.db2.gz GVJUSZDAIQHMMV-UHFFFAOYSA-N 1 0 406.439 -0.032 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000441511893 1070666350 /nfs/dbraw/zinc/66/63/50/1070666350.db2.gz LKLPNLWXWSDTGI-DLBZAZTESA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000441511895 1070666587 /nfs/dbraw/zinc/66/65/87/1070666587.db2.gz LKLPNLWXWSDTGI-IAGOWNOFSA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000441511899 1070666391 /nfs/dbraw/zinc/66/63/91/1070666391.db2.gz LKLPNLWXWSDTGI-IRXDYDNUSA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000441511901 1070666565 /nfs/dbraw/zinc/66/65/65/1070666565.db2.gz LKLPNLWXWSDTGI-SJORKVTESA-N 1 0 404.515 0.097 20 0 HBADRO CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000441515331 1070667965 /nfs/dbraw/zinc/66/79/65/1070667965.db2.gz RDJOPJMVTJSRCJ-UHFFFAOYSA-N 1 0 409.487 0.344 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000441529503 1070670282 /nfs/dbraw/zinc/67/02/82/1070670282.db2.gz LKOGGPVUNWJJSU-UHFFFAOYSA-N 1 0 409.531 -0.181 20 0 HBADRO Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nn1C ZINC000441555351 1070673928 /nfs/dbraw/zinc/67/39/28/1070673928.db2.gz GXERHEZRLDQIOU-INIZCTEOSA-N 1 0 400.483 0.072 20 0 HBADRO Cn1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1=O ZINC000441559652 1070674459 /nfs/dbraw/zinc/67/44/59/1070674459.db2.gz UHBIYBJMUDGHGJ-KRWDZBQOSA-N 1 0 413.478 -0.271 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC(=O)NC3CC3)cc2)CC1 ZINC000441559755 1070674480 /nfs/dbraw/zinc/67/44/80/1070674480.db2.gz RZSVPJDSURVJIP-UHFFFAOYSA-N 1 0 403.483 -0.354 20 0 HBADRO Cn1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1=O ZINC000441560642 1070674567 /nfs/dbraw/zinc/67/45/67/1070674567.db2.gz XKZPCYWOAIULRU-KRWDZBQOSA-N 1 0 413.478 -0.271 20 0 HBADRO CCCNC(=O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441563731 1070674507 /nfs/dbraw/zinc/67/45/07/1070674507.db2.gz KOHUJAIBQPMNRS-UHFFFAOYSA-N 1 0 405.499 -0.106 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000441568226 1070675328 /nfs/dbraw/zinc/67/53/28/1070675328.db2.gz QDEQDACRGWKQQH-UHFFFAOYSA-N 1 0 419.526 -0.300 20 0 HBADRO COc1ncncc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000441574978 1070676188 /nfs/dbraw/zinc/67/61/88/1070676188.db2.gz LVEUZNUHVUUKGV-HNNXBMFYSA-N 1 0 414.466 -0.171 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)C(=O)NCC[NH+](C)C ZINC000441576769 1070676996 /nfs/dbraw/zinc/67/69/96/1070676996.db2.gz WNLIFLVXTGUWMV-HNNXBMFYSA-N 1 0 416.486 -0.191 20 0 HBADRO COc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ncn1 ZINC000441580195 1070677006 /nfs/dbraw/zinc/67/70/06/1070677006.db2.gz GMIFNYRLFTZBIU-HNNXBMFYSA-N 1 0 414.466 -0.171 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC(=O)NCCOC ZINC000441581530 1070676887 /nfs/dbraw/zinc/67/68/87/1070676887.db2.gz RKNOKZNKUBFNGY-UHFFFAOYSA-N 1 0 421.498 -0.346 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000441586130 1070679333 /nfs/dbraw/zinc/67/93/33/1070679333.db2.gz DLMVGXDKEJEDSP-GFCCVEGCSA-N 1 0 402.448 -0.756 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000441586131 1070679198 /nfs/dbraw/zinc/67/91/98/1070679198.db2.gz DLMVGXDKEJEDSP-LBPRGKRZSA-N 1 0 402.448 -0.756 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000441588367 1070680220 /nfs/dbraw/zinc/68/02/20/1070680220.db2.gz RVLXCFIOZHGOGJ-GFCCVEGCSA-N 1 0 418.491 -0.120 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000441588370 1070680084 /nfs/dbraw/zinc/68/00/84/1070680084.db2.gz RVLXCFIOZHGOGJ-LBPRGKRZSA-N 1 0 418.491 -0.120 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000441588851 1070680100 /nfs/dbraw/zinc/68/01/00/1070680100.db2.gz SYNHZGNCVKQRJS-AWEZNQCLSA-N 1 0 412.512 -0.279 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000441588858 1070680180 /nfs/dbraw/zinc/68/01/80/1070680180.db2.gz SYNHZGNCVKQRJS-CQSZACIVSA-N 1 0 412.512 -0.279 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cc1-n1cnnn1 ZINC000441593153 1070679318 /nfs/dbraw/zinc/67/93/18/1070679318.db2.gz BXRRTHQMTQOJNW-UHFFFAOYSA-N 1 0 416.486 -0.248 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000441594079 1070679238 /nfs/dbraw/zinc/67/92/38/1070679238.db2.gz DRANUSQQYCSLNU-UHFFFAOYSA-N 1 0 420.466 -0.048 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)CC1 ZINC000441598973 1070680647 /nfs/dbraw/zinc/68/06/47/1070680647.db2.gz OSFHZXGHABEXOX-UHFFFAOYSA-N 1 0 417.510 -0.010 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCN1CC[NH+](C)CC1)CC2 ZINC000441601277 1070681494 /nfs/dbraw/zinc/68/14/94/1070681494.db2.gz TVOPWIVTKHNWPC-UHFFFAOYSA-N 1 0 423.539 -0.763 20 0 HBADRO CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441604107 1070681474 /nfs/dbraw/zinc/68/14/74/1070681474.db2.gz MBJRMMRGGCDXDG-HNNXBMFYSA-N 1 0 405.499 -0.108 20 0 HBADRO CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441604108 1070681534 /nfs/dbraw/zinc/68/15/34/1070681534.db2.gz MBJRMMRGGCDXDG-OAHLLOKOSA-N 1 0 405.499 -0.108 20 0 HBADRO CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441611242 1070683113 /nfs/dbraw/zinc/68/31/13/1070683113.db2.gz OHAIVRXVZHBZAT-UHFFFAOYSA-N 1 0 405.499 -0.108 20 0 HBADRO COC(=O)[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H]1C(=O)OC ZINC000441621709 1070685402 /nfs/dbraw/zinc/68/54/02/1070685402.db2.gz CAIKCLBJHNRSNY-CHWSQXEVSA-N 1 0 421.454 -0.750 20 0 HBADRO COC(=O)[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1C(=O)OC ZINC000441621710 1070685371 /nfs/dbraw/zinc/68/53/71/1070685371.db2.gz CAIKCLBJHNRSNY-OLZOCXBDSA-N 1 0 421.454 -0.750 20 0 HBADRO COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000441621711 1070685495 /nfs/dbraw/zinc/68/54/95/1070685495.db2.gz CAIKCLBJHNRSNY-QWHCGFSZSA-N 1 0 421.454 -0.750 20 0 HBADRO COC(=O)[C@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1C(=O)OC ZINC000441621712 1070685443 /nfs/dbraw/zinc/68/54/43/1070685443.db2.gz CAIKCLBJHNRSNY-STQMWFEESA-N 1 0 421.454 -0.750 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1(C)C ZINC000441623919 1069554872 /nfs/dbraw/zinc/55/48/72/1069554872.db2.gz IQHSNPWLMSGFLV-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000441654644 1070694381 /nfs/dbraw/zinc/69/43/81/1070694381.db2.gz IVCSZHYJZZDAPG-UHFFFAOYSA-N 1 0 417.510 -0.058 20 0 HBADRO COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C(=O)OC ZINC000441654828 1070694345 /nfs/dbraw/zinc/69/43/45/1070694345.db2.gz FABOULRWHHUFGI-JFIYKMOQSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1C(=O)OC ZINC000441654829 1070694191 /nfs/dbraw/zinc/69/41/91/1070694191.db2.gz FABOULRWHHUFGI-JZXOWHBKSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C(=O)OC ZINC000441654830 1070694240 /nfs/dbraw/zinc/69/42/40/1070694240.db2.gz FABOULRWHHUFGI-LZLYRXPVSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1C(=O)OC ZINC000441654831 1070694317 /nfs/dbraw/zinc/69/43/17/1070694317.db2.gz FABOULRWHHUFGI-NUJGCVRESA-N 1 0 413.515 -0.114 20 0 HBADRO CCOCCO[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000441655771 1068280282 /nfs/dbraw/zinc/28/02/82/1068280282.db2.gz DUAYGSXHQUIMLO-SFHVURJKSA-N 1 0 412.531 -0.883 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000441658047 1070695781 /nfs/dbraw/zinc/69/57/81/1070695781.db2.gz UPEALCPAHAZWGO-UHFFFAOYSA-N 1 0 400.439 0.302 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1(C)C ZINC000441660855 1070695557 /nfs/dbraw/zinc/69/55/57/1070695557.db2.gz WUZHUEBEWGLUGA-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C(=O)NCC[NH+](C)C ZINC000441684882 1070700738 /nfs/dbraw/zinc/70/07/38/1070700738.db2.gz FXBIVQNHCFYAQG-INIZCTEOSA-N 1 0 416.486 -0.191 20 0 HBADRO CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000441685031 1070700061 /nfs/dbraw/zinc/70/00/61/1070700061.db2.gz YLPIZTWLNGJITB-INIZCTEOSA-N 1 0 403.483 -0.004 20 0 HBADRO CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000441685032 1070699985 /nfs/dbraw/zinc/69/99/85/1070699985.db2.gz YLPIZTWLNGJITB-MRXNPFEDSA-N 1 0 403.483 -0.004 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C(=O)NCC[NH+](C)C ZINC000441694724 1070701208 /nfs/dbraw/zinc/70/12/08/1070701208.db2.gz PKVSDAZNSMRROB-INIZCTEOSA-N 1 0 416.486 -0.191 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(OCC3CC3)CC2)CC1)N1CCOCC1 ZINC000441697198 1070702344 /nfs/dbraw/zinc/70/23/44/1070702344.db2.gz ZYTMHBNYKLLPHM-UHFFFAOYSA-N 1 0 408.543 -0.120 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000441701009 1070701932 /nfs/dbraw/zinc/70/19/32/1070701932.db2.gz CIVSFFCWPKUYGA-HNNXBMFYSA-N 1 0 420.514 -0.069 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)C(=O)NCC[NH+](C)C ZINC000441706641 1070703034 /nfs/dbraw/zinc/70/30/34/1070703034.db2.gz NSUHEOXHEXCGHJ-HNNXBMFYSA-N 1 0 416.486 -0.191 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000441709458 1070703607 /nfs/dbraw/zinc/70/36/07/1070703607.db2.gz SNZFFLHSOITWCG-BBRMVZONSA-N 1 0 401.471 0.112 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000441709461 1070703488 /nfs/dbraw/zinc/70/34/88/1070703488.db2.gz SNZFFLHSOITWCG-CJNGLKHVSA-N 1 0 401.471 0.112 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000441709463 1070703691 /nfs/dbraw/zinc/70/36/91/1070703691.db2.gz SNZFFLHSOITWCG-CZUORRHYSA-N 1 0 401.471 0.112 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000441709465 1070703536 /nfs/dbraw/zinc/70/35/36/1070703536.db2.gz SNZFFLHSOITWCG-XJKSGUPXSA-N 1 0 401.471 0.112 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)C(=O)NCC[NH+](C)C ZINC000441711308 1070703466 /nfs/dbraw/zinc/70/34/66/1070703466.db2.gz ZSKZJLMIPVKIEW-HNNXBMFYSA-N 1 0 416.486 -0.191 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000441713764 1070704226 /nfs/dbraw/zinc/70/42/26/1070704226.db2.gz IQPDJTHOIVUHQG-INIZCTEOSA-N 1 0 401.467 -0.250 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000441713765 1070704017 /nfs/dbraw/zinc/70/40/17/1070704017.db2.gz IQPDJTHOIVUHQG-MRXNPFEDSA-N 1 0 401.467 -0.250 20 0 HBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000441727036 1069604771 /nfs/dbraw/zinc/60/47/71/1069604771.db2.gz OJJWYPFSNWQYBK-LBPRGKRZSA-N 1 0 401.345 0.340 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)S(N)(=O)=O ZINC000441734354 1071187248 /nfs/dbraw/zinc/18/72/48/1071187248.db2.gz WYPZSJLOWYCMBX-GFCCVEGCSA-N 1 0 412.512 -0.453 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)S(N)(=O)=O ZINC000441734360 1071187390 /nfs/dbraw/zinc/18/73/90/1071187390.db2.gz WYPZSJLOWYCMBX-LBPRGKRZSA-N 1 0 412.512 -0.453 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000441749030 1070710459 /nfs/dbraw/zinc/71/04/59/1070710459.db2.gz FBZLWSUEQWNQNW-KBPBESRZSA-N 1 0 406.487 -0.016 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000441749034 1070710390 /nfs/dbraw/zinc/71/03/90/1070710390.db2.gz FBZLWSUEQWNQNW-KGLIPLIRSA-N 1 0 406.487 -0.016 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000441749037 1070710500 /nfs/dbraw/zinc/71/05/00/1070710500.db2.gz FBZLWSUEQWNQNW-UONOGXRCSA-N 1 0 406.487 -0.016 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000441749040 1070710511 /nfs/dbraw/zinc/71/05/11/1070710511.db2.gz FBZLWSUEQWNQNW-ZIAGYGMSSA-N 1 0 406.487 -0.016 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCC[NH+]1CCOCC1)CC2 ZINC000441752839 1070710963 /nfs/dbraw/zinc/71/09/63/1070710963.db2.gz ROPWDMICDMBFDH-UHFFFAOYSA-N 1 0 424.523 -0.288 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000441753639 1070711647 /nfs/dbraw/zinc/71/16/47/1070711647.db2.gz UGPVRMKRSHMPSD-UHFFFAOYSA-N 1 0 403.443 -0.162 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000441753926 1069628715 /nfs/dbraw/zinc/62/87/15/1069628715.db2.gz REIJAXUROUFUML-CVEARBPZSA-N 1 0 421.498 0.419 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000441753927 1070711637 /nfs/dbraw/zinc/71/16/37/1070711637.db2.gz REIJAXUROUFUML-HOTGVXAUSA-N 1 0 421.498 0.419 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000441753928 1070711709 /nfs/dbraw/zinc/71/17/09/1070711709.db2.gz REIJAXUROUFUML-HZPDHXFCSA-N 1 0 421.498 0.419 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000441753929 1070711438 /nfs/dbraw/zinc/71/14/38/1070711438.db2.gz REIJAXUROUFUML-JKSUJKDBSA-N 1 0 421.498 0.419 20 0 HBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000441757860 1070712694 /nfs/dbraw/zinc/71/26/94/1070712694.db2.gz XXQLOORDGXNJFS-IRXDYDNUSA-N 1 0 406.483 -0.397 20 0 HBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000441757865 1070712980 /nfs/dbraw/zinc/71/29/80/1070712980.db2.gz XXQLOORDGXNJFS-SJORKVTESA-N 1 0 406.483 -0.397 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)cc2)CC1 ZINC000441766323 1070713383 /nfs/dbraw/zinc/71/33/83/1070713383.db2.gz MNNUFDZUCBKMHB-UHFFFAOYSA-N 1 0 405.499 -0.121 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[N@H+](C)CCOC)CC2 ZINC000441770428 1070713913 /nfs/dbraw/zinc/71/39/13/1070713913.db2.gz SMGSBJYSRSFKQP-UHFFFAOYSA-N 1 0 412.512 -0.432 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000441778215 1069543803 /nfs/dbraw/zinc/54/38/03/1069543803.db2.gz RHPIZAUNJCBXEU-UHFFFAOYSA-N 1 0 406.531 0.390 20 0 HBADRO CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441778485 1070714509 /nfs/dbraw/zinc/71/45/09/1070714509.db2.gz SIQLBEXYDXOMFA-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 ZINC000441786968 1070715270 /nfs/dbraw/zinc/71/52/70/1070715270.db2.gz KMDNEGBFAZYFEE-UHFFFAOYSA-N 1 0 420.466 -0.048 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441789287 1070715887 /nfs/dbraw/zinc/71/58/87/1070715887.db2.gz QHHXDLSWHJEURC-UHFFFAOYSA-N 1 0 402.459 -0.637 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441793012 1070715855 /nfs/dbraw/zinc/71/58/55/1070715855.db2.gz ZYOYBTXXDSIDTC-AWEZNQCLSA-N 1 0 416.486 -0.248 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441793014 1070715736 /nfs/dbraw/zinc/71/57/36/1070715736.db2.gz ZYOYBTXXDSIDTC-CQSZACIVSA-N 1 0 416.486 -0.248 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441795017 1070715708 /nfs/dbraw/zinc/71/57/08/1070715708.db2.gz OAIGVFPZFVTJJZ-UHFFFAOYSA-N 1 0 416.486 -0.247 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)cnc2n(C)c1=O ZINC000441798088 1070716459 /nfs/dbraw/zinc/71/64/59/1070716459.db2.gz GQNLPKRJWGSJIP-UHFFFAOYSA-N 1 0 416.482 -0.193 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)CC2 ZINC000441799250 1070716412 /nfs/dbraw/zinc/71/64/12/1070716412.db2.gz FEIXYNFMARBZAE-UHFFFAOYSA-N 1 0 424.523 -0.289 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441806443 1070717793 /nfs/dbraw/zinc/71/77/93/1070717793.db2.gz SSUGJZXYOVJJPN-UHFFFAOYSA-N 1 0 403.443 -0.164 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000441812090 1070719686 /nfs/dbraw/zinc/71/96/86/1070719686.db2.gz HKXAAEFFZHNIAU-IBGZPJMESA-N 1 0 409.575 -0.347 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000441812091 1070719554 /nfs/dbraw/zinc/71/95/54/1070719554.db2.gz HKXAAEFFZHNIAU-LJQANCHMSA-N 1 0 409.575 -0.347 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000441816825 1070739773 /nfs/dbraw/zinc/73/97/73/1070739773.db2.gz FFIXSRORCLPPPM-HNNXBMFYSA-N 1 0 403.483 -0.415 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000441816837 1070739957 /nfs/dbraw/zinc/73/99/57/1070739957.db2.gz FFIXSRORCLPPPM-OAHLLOKOSA-N 1 0 403.483 -0.415 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000441831903 1070785353 /nfs/dbraw/zinc/78/53/53/1070785353.db2.gz FFRVDLIKYHQMIE-GASCZTMLSA-N 1 0 424.502 -0.848 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000441831906 1070785546 /nfs/dbraw/zinc/78/55/46/1070785546.db2.gz FFRVDLIKYHQMIE-GJZGRUSLSA-N 1 0 424.502 -0.848 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000441831908 1070785525 /nfs/dbraw/zinc/78/55/25/1070785525.db2.gz FFRVDLIKYHQMIE-HUUCEWRRSA-N 1 0 424.502 -0.848 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000441832132 1070785343 /nfs/dbraw/zinc/78/53/43/1070785343.db2.gz CESZNYOWLRAUCY-UHFFFAOYSA-N 1 0 406.483 -0.279 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000441832733 1070785366 /nfs/dbraw/zinc/78/53/66/1070785366.db2.gz GBPNWKFSSVPSFX-UHFFFAOYSA-N 1 0 423.495 -0.091 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441833827 1070786037 /nfs/dbraw/zinc/78/60/37/1070786037.db2.gz PMFQXZPBMNCSJK-UHFFFAOYSA-N 1 0 416.500 -0.422 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000441834072 1070786192 /nfs/dbraw/zinc/78/61/92/1070786192.db2.gz PYCBGEYBLGNODL-UHFFFAOYSA-N 1 0 416.475 -0.002 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000441834129 1070785535 /nfs/dbraw/zinc/78/55/35/1070785535.db2.gz QOTSDZCAMXVJDC-UHFFFAOYSA-N 1 0 416.475 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC2 ZINC000441834999 1070786027 /nfs/dbraw/zinc/78/60/27/1070786027.db2.gz ABQDYRDMIJPJPG-UHFFFAOYSA-N 1 0 412.512 -0.480 20 0 HBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000441835026 1070785954 /nfs/dbraw/zinc/78/59/54/1070785954.db2.gz PUFBXEHBQYNMNT-UHFFFAOYSA-N 1 0 419.526 -0.364 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCOCC[NH+](C)C)CC2 ZINC000441835273 1070786006 /nfs/dbraw/zinc/78/60/06/1070786006.db2.gz PVGHTDFOMJTQLF-UHFFFAOYSA-N 1 0 412.512 -0.432 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000441835426 1070786205 /nfs/dbraw/zinc/78/62/05/1070786205.db2.gz QPCGRPHTCPOWRV-UHFFFAOYSA-N 1 0 416.475 -0.002 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441836012 1070786097 /nfs/dbraw/zinc/78/60/97/1070786097.db2.gz ISRWNVKOUKULMJ-UHFFFAOYSA-N 1 0 404.464 -0.291 20 0 HBADRO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441836947 1070786122 /nfs/dbraw/zinc/78/61/22/1070786122.db2.gz ZZVUBWFOARUQRJ-UHFFFAOYSA-N 1 0 405.499 -0.012 20 0 HBADRO CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000441837396 1070786050 /nfs/dbraw/zinc/78/60/50/1070786050.db2.gz WOPWHFVDDAHWJW-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000441840112 1070786132 /nfs/dbraw/zinc/78/61/32/1070786132.db2.gz HWGMTACNSMOSSN-UHFFFAOYSA-N 1 0 412.512 -0.363 20 0 HBADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000441842706 1070784772 /nfs/dbraw/zinc/78/47/72/1070784772.db2.gz JDUYWKBAJUBLBG-UHFFFAOYSA-N 1 0 405.499 -0.293 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000441843649 1070785372 /nfs/dbraw/zinc/78/53/72/1070785372.db2.gz WHZCMIOTDANXEQ-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO COc1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1S(=O)(=O)N(C)C ZINC000441844823 1070785582 /nfs/dbraw/zinc/78/55/82/1070785582.db2.gz CMVSAZLYHCQYOS-UHFFFAOYSA-N 1 0 416.500 -0.422 20 0 HBADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441846086 1070787825 /nfs/dbraw/zinc/78/78/25/1070787825.db2.gz SLGALABRZPNMCT-UHFFFAOYSA-N 1 0 422.482 -0.200 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1NS(C)(=O)=O ZINC000441846458 1070787799 /nfs/dbraw/zinc/78/77/99/1070787799.db2.gz FJZSVAOJISBPCL-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000441848162 1070788595 /nfs/dbraw/zinc/78/85/95/1070788595.db2.gz IGEKMJCHNIYKTM-UHFFFAOYSA-N 1 0 412.512 -0.446 20 0 HBADRO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441849962 1070788614 /nfs/dbraw/zinc/78/86/14/1070788614.db2.gz MLUWSMGGOPQAOJ-GOSISDBHSA-N 1 0 417.510 -0.012 20 0 HBADRO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441849964 1070788358 /nfs/dbraw/zinc/78/83/58/1070788358.db2.gz MLUWSMGGOPQAOJ-SFHVURJKSA-N 1 0 417.510 -0.012 20 0 HBADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441850411 1070788566 /nfs/dbraw/zinc/78/85/66/1070788566.db2.gz TZGOBKWJESCCMC-UHFFFAOYSA-N 1 0 402.455 -0.087 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000441850738 1070789030 /nfs/dbraw/zinc/78/90/30/1070789030.db2.gz VGUBWGUVTSRBTK-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO COc1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1NS(C)(=O)=O ZINC000441856785 1070786812 /nfs/dbraw/zinc/78/68/12/1070786812.db2.gz FCKYEUMKRNWEFE-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OC)c(OC)c1 ZINC000441861721 1070787404 /nfs/dbraw/zinc/78/74/04/1070787404.db2.gz IUQFXEUUHVCANG-CYBMUJFWSA-N 1 0 408.455 -0.209 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OC)c(OC)c1 ZINC000441861727 1070787202 /nfs/dbraw/zinc/78/72/02/1070787202.db2.gz IUQFXEUUHVCANG-ZDUSSCGKSA-N 1 0 408.455 -0.209 20 0 HBADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441863027 1068280178 /nfs/dbraw/zinc/28/01/78/1068280178.db2.gz YDINHTKWSPOYSO-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000441863525 1070787917 /nfs/dbraw/zinc/78/79/17/1070787917.db2.gz MNAVURYXISONCA-UHFFFAOYSA-N 1 0 410.446 -0.069 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441863843 1070787985 /nfs/dbraw/zinc/78/79/85/1070787985.db2.gz MYEBAEJEPRPVCL-AWEZNQCLSA-N 1 0 416.461 -0.021 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441863852 1070787756 /nfs/dbraw/zinc/78/77/56/1070787756.db2.gz MYEBAEJEPRPVCL-CQSZACIVSA-N 1 0 416.461 -0.021 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441866674 1070789876 /nfs/dbraw/zinc/78/98/76/1070789876.db2.gz SAVFUWCXZRZDRE-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO NC(=O)COCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441868090 1070789926 /nfs/dbraw/zinc/78/99/26/1070789926.db2.gz DWRRTGGTXZRHCT-INIZCTEOSA-N 1 0 414.466 -0.113 20 0 HBADRO NC(=O)COCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441868094 1070789646 /nfs/dbraw/zinc/78/96/46/1070789646.db2.gz DWRRTGGTXZRHCT-MRXNPFEDSA-N 1 0 414.466 -0.113 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1-n1cnnn1 ZINC000441869602 1070790309 /nfs/dbraw/zinc/79/03/09/1070790309.db2.gz XKBSGRQTIQCIFM-HNNXBMFYSA-N 1 0 417.470 -0.182 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1-n1cnnn1 ZINC000441869604 1070790471 /nfs/dbraw/zinc/79/04/71/1070790471.db2.gz XKBSGRQTIQCIFM-OAHLLOKOSA-N 1 0 417.470 -0.182 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CC2 ZINC000441869619 1070790421 /nfs/dbraw/zinc/79/04/21/1070790421.db2.gz XMOMOESMJLEUSL-HNNXBMFYSA-N 1 0 423.539 -0.764 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC000441869623 1070790326 /nfs/dbraw/zinc/79/03/26/1070790326.db2.gz XMOMOESMJLEUSL-OAHLLOKOSA-N 1 0 423.539 -0.764 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1([NH+](C)C)CCOCC1)CC2 ZINC000441878820 1070791686 /nfs/dbraw/zinc/79/16/86/1070791686.db2.gz CRLWHFRBSUPDKI-UHFFFAOYSA-N 1 0 424.523 -0.289 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1-n1cnnn1 ZINC000441880711 1070791969 /nfs/dbraw/zinc/79/19/69/1070791969.db2.gz ITXADIPJXYVART-UHFFFAOYSA-N 1 0 403.443 -0.164 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1-n1cnnn1 ZINC000441894331 1070793254 /nfs/dbraw/zinc/79/32/54/1070793254.db2.gz SPFDVTCSPLINBB-UHFFFAOYSA-N 1 0 417.470 -0.085 20 0 HBADRO NC(=O)COCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000441901460 1070796575 /nfs/dbraw/zinc/79/65/75/1070796575.db2.gz OEWIRXOWABOOLR-UHFFFAOYSA-N 1 0 403.483 -0.225 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCOCC(N)=O ZINC000441902313 1070795285 /nfs/dbraw/zinc/79/52/85/1070795285.db2.gz QQSQRTRBPXTDDV-UHFFFAOYSA-N 1 0 407.471 -0.606 20 0 HBADRO C[C@@H]1CN(CCN2CCCS2(=O)=O)[C@@H](C)CN1CCN1CCCS1(=O)=O ZINC000441916966 1070795631 /nfs/dbraw/zinc/79/56/31/1070795631.db2.gz HKSBSTNIROLJKF-IYBDPMFKSA-N 1 0 408.590 -0.548 20 0 HBADRO C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)[C@@H](C)CN1CCCS(=O)(=O)N(C)C ZINC000441926350 1070796946 /nfs/dbraw/zinc/79/69/46/1070796946.db2.gz ZNEUAJKOHIOMLL-IYBDPMFKSA-N 1 0 412.622 -0.056 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000441948418 1070800221 /nfs/dbraw/zinc/80/02/21/1070800221.db2.gz QNLXAURMAWQPRV-UHFFFAOYSA-N 1 0 401.475 -0.051 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000441949681 1070799977 /nfs/dbraw/zinc/79/99/77/1070799977.db2.gz BQAPNXOKRIFSNF-UHFFFAOYSA-N 1 0 416.482 -0.049 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+](C)CCOC)CC2 ZINC000441951382 1070800052 /nfs/dbraw/zinc/80/00/52/1070800052.db2.gz DYNNIIPRSKSUOV-UHFFFAOYSA-N 1 0 412.512 -0.432 20 0 HBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000441959224 1070799253 /nfs/dbraw/zinc/79/92/53/1070799253.db2.gz XEJZLIYJWGIUSE-UHFFFAOYSA-N 1 0 405.503 0.172 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2C1=O ZINC000441962404 1070801811 /nfs/dbraw/zinc/80/18/11/1070801811.db2.gz QEYADNHJGNHTHB-GFCCVEGCSA-N 1 0 415.450 -0.446 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2C1=O ZINC000441962406 1070801247 /nfs/dbraw/zinc/80/12/47/1070801247.db2.gz QEYADNHJGNHTHB-LBPRGKRZSA-N 1 0 415.450 -0.446 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000441962713 1070801737 /nfs/dbraw/zinc/80/17/37/1070801737.db2.gz VYPGSWOKEQEYKT-AWEZNQCLSA-N 1 0 416.486 -0.391 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000441962714 1070801856 /nfs/dbraw/zinc/80/18/56/1070801856.db2.gz VYPGSWOKEQEYKT-CQSZACIVSA-N 1 0 416.486 -0.391 20 0 HBADRO COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000441965550 1070801398 /nfs/dbraw/zinc/80/13/98/1070801398.db2.gz YCBHKOBDYDVFIB-DLBZAZTESA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000441965552 1070801574 /nfs/dbraw/zinc/80/15/74/1070801574.db2.gz YCBHKOBDYDVFIB-IAGOWNOFSA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000441965554 1070801296 /nfs/dbraw/zinc/80/12/96/1070801296.db2.gz YCBHKOBDYDVFIB-IRXDYDNUSA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000441965556 1070802330 /nfs/dbraw/zinc/80/23/30/1070802330.db2.gz YCBHKOBDYDVFIB-SJORKVTESA-N 1 0 406.483 -0.085 20 0 HBADRO CN1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2OCC1=O ZINC000441967836 1070802221 /nfs/dbraw/zinc/80/22/21/1070802221.db2.gz ILEAHVYEHKDJJM-CYBMUJFWSA-N 1 0 403.439 -0.564 20 0 HBADRO CN1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2OCC1=O ZINC000441967837 1070802558 /nfs/dbraw/zinc/80/25/58/1070802558.db2.gz ILEAHVYEHKDJJM-ZDUSSCGKSA-N 1 0 403.439 -0.564 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000441972385 1070802506 /nfs/dbraw/zinc/80/25/06/1070802506.db2.gz DXSDEKKXDWMTJV-UHFFFAOYSA-N 1 0 403.464 -0.471 20 0 HBADRO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441973901 1070803605 /nfs/dbraw/zinc/80/36/05/1070803605.db2.gz YBJWTUKOCDVUCJ-HNNXBMFYSA-N 1 0 422.507 -0.001 20 0 HBADRO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441973903 1070802929 /nfs/dbraw/zinc/80/29/29/1070802929.db2.gz YBJWTUKOCDVUCJ-OAHLLOKOSA-N 1 0 422.507 -0.001 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000441975776 1070800138 /nfs/dbraw/zinc/80/01/38/1070800138.db2.gz KGFCNNRVKSJOAV-AWEZNQCLSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000441975777 1070799905 /nfs/dbraw/zinc/79/99/05/1070799905.db2.gz KGFCNNRVKSJOAV-CQSZACIVSA-N 1 0 414.470 -0.387 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000441977677 1070800558 /nfs/dbraw/zinc/80/05/58/1070800558.db2.gz NKXOECBSWSFTFK-UHFFFAOYSA-N 1 0 402.455 -0.439 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)CC2 ZINC000441981547 1070801472 /nfs/dbraw/zinc/80/14/72/1070801472.db2.gz VCXMEWAPCWXKRQ-HNNXBMFYSA-N 1 0 424.523 -0.289 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)CC2 ZINC000441981549 1070801115 /nfs/dbraw/zinc/80/11/15/1070801115.db2.gz VCXMEWAPCWXKRQ-OAHLLOKOSA-N 1 0 424.523 -0.289 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000441982295 1070810353 /nfs/dbraw/zinc/81/03/53/1070810353.db2.gz QZJHWPJNJDZROI-UHFFFAOYSA-N 1 0 417.491 -0.081 20 0 HBADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000441982583 1070810236 /nfs/dbraw/zinc/81/02/36/1070810236.db2.gz CNOTYEXAGPXVPJ-INIZCTEOSA-N 1 0 401.467 -0.364 20 0 HBADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000441982584 1070810201 /nfs/dbraw/zinc/81/02/01/1070810201.db2.gz CNOTYEXAGPXVPJ-MRXNPFEDSA-N 1 0 401.467 -0.364 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000441984643 1070812085 /nfs/dbraw/zinc/81/20/85/1070812085.db2.gz GXNOCZBJCDAIGE-CVEARBPZSA-N 1 0 418.498 -0.234 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000441985725 1070811302 /nfs/dbraw/zinc/81/13/02/1070811302.db2.gz JRSVXEXPYAFYHR-HNNXBMFYSA-N 1 0 413.496 -0.118 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000441985726 1070811561 /nfs/dbraw/zinc/81/15/61/1070811561.db2.gz JRSVXEXPYAFYHR-OAHLLOKOSA-N 1 0 413.496 -0.118 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000441985914 1070811768 /nfs/dbraw/zinc/81/17/68/1070811768.db2.gz YMQHRZOEYKCTOY-KRWDZBQOSA-N 1 0 406.483 -0.084 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000441985917 1070812214 /nfs/dbraw/zinc/81/22/14/1070812214.db2.gz YMQHRZOEYKCTOY-QGZVFWFLSA-N 1 0 406.483 -0.084 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000441986070 1070811949 /nfs/dbraw/zinc/81/19/49/1070811949.db2.gz KETRCVJLQFXABO-GOSISDBHSA-N 1 0 418.494 -0.137 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000441986072 1070811424 /nfs/dbraw/zinc/81/14/24/1070811424.db2.gz KETRCVJLQFXABO-SFHVURJKSA-N 1 0 418.494 -0.137 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1-n1cnnn1 ZINC000441988002 1070812992 /nfs/dbraw/zinc/81/29/92/1070812992.db2.gz MHQDSVWKMMAHBX-HNNXBMFYSA-N 1 0 417.470 -0.038 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1-n1cnnn1 ZINC000441988005 1070813156 /nfs/dbraw/zinc/81/31/56/1070813156.db2.gz MHQDSVWKMMAHBX-OAHLLOKOSA-N 1 0 417.470 -0.038 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000441988107 1070812471 /nfs/dbraw/zinc/81/24/71/1070812471.db2.gz PBEMAVHBSQUZCA-CVEARBPZSA-N 1 0 406.487 -0.331 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)CC2 ZINC000441988299 1070812687 /nfs/dbraw/zinc/81/26/87/1070812687.db2.gz DUSVFUXVWBEXBV-AWEZNQCLSA-N 1 0 410.496 -0.679 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)CC2 ZINC000441988303 1070812563 /nfs/dbraw/zinc/81/25/63/1070812563.db2.gz DUSVFUXVWBEXBV-CQSZACIVSA-N 1 0 410.496 -0.679 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1CC[NH+](CCO)CC1)CC2 ZINC000441989021 1070813477 /nfs/dbraw/zinc/81/34/77/1070813477.db2.gz GLAGSJAHRPPQRP-UHFFFAOYSA-N 1 0 424.523 -0.696 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000441990660 1070814273 /nfs/dbraw/zinc/81/42/73/1070814273.db2.gz YMFDEUWNRNVWIZ-UHFFFAOYSA-N 1 0 413.486 -0.221 20 0 HBADRO COc1cc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc(OC)c1 ZINC000441991176 1070814504 /nfs/dbraw/zinc/81/45/04/1070814504.db2.gz LEOPGFODMLMVCE-UHFFFAOYSA-N 1 0 418.454 0.155 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)C1 ZINC000441991431 1070814568 /nfs/dbraw/zinc/81/45/68/1070814568.db2.gz LQZZNMAHJBPQGZ-INIZCTEOSA-N 1 0 413.482 -0.032 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)C1 ZINC000441991432 1070814329 /nfs/dbraw/zinc/81/43/29/1070814329.db2.gz LQZZNMAHJBPQGZ-MRXNPFEDSA-N 1 0 413.482 -0.032 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000441991612 1070815114 /nfs/dbraw/zinc/81/51/14/1070815114.db2.gz YUNGAWDZGOWWOD-CVEARBPZSA-N 1 0 401.467 -0.075 20 0 HBADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000441993039 1070814865 /nfs/dbraw/zinc/81/48/65/1070814865.db2.gz CZPHQWHBOJCYDS-KRWDZBQOSA-N 1 0 413.478 -0.567 20 0 HBADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000441993040 1070814954 /nfs/dbraw/zinc/81/49/54/1070814954.db2.gz CZPHQWHBOJCYDS-QGZVFWFLSA-N 1 0 413.478 -0.567 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000441994284 1070815973 /nfs/dbraw/zinc/81/59/73/1070815973.db2.gz CEZGPBRIEIAFFO-HNNXBMFYSA-N 1 0 424.523 -0.220 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000441994286 1070815763 /nfs/dbraw/zinc/81/57/63/1070815763.db2.gz CEZGPBRIEIAFFO-OAHLLOKOSA-N 1 0 424.523 -0.220 20 0 HBADRO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441994528 1070815515 /nfs/dbraw/zinc/81/55/15/1070815515.db2.gz CUQHAKONTQZDRP-HNNXBMFYSA-N 1 0 422.507 -0.001 20 0 HBADRO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441994530 1070816102 /nfs/dbraw/zinc/81/61/02/1070816102.db2.gz CUQHAKONTQZDRP-OAHLLOKOSA-N 1 0 422.507 -0.001 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000441994777 1070817634 /nfs/dbraw/zinc/81/76/34/1070817634.db2.gz BFUDWGIRPVVBKA-KRWDZBQOSA-N 1 0 404.467 -0.066 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000441994778 1070817830 /nfs/dbraw/zinc/81/78/30/1070817830.db2.gz BFUDWGIRPVVBKA-QGZVFWFLSA-N 1 0 404.467 -0.066 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000441994855 1070818073 /nfs/dbraw/zinc/81/80/73/1070818073.db2.gz BQPKHRHDAQWFRB-SJORKVTESA-N 1 0 404.515 0.239 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)C1 ZINC000441995433 1070817089 /nfs/dbraw/zinc/81/70/89/1070817089.db2.gz YFMJIYFJAWYFQM-HNNXBMFYSA-N 1 0 406.439 -0.635 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)C1 ZINC000441995435 1070816655 /nfs/dbraw/zinc/81/66/55/1070816655.db2.gz YFMJIYFJAWYFQM-OAHLLOKOSA-N 1 0 406.439 -0.635 20 0 HBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000441995583 1070804403 /nfs/dbraw/zinc/80/44/03/1070804403.db2.gz BKGHNEJOHXQKSA-AWEZNQCLSA-N 1 0 403.483 -0.003 20 0 HBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000441995590 1070804468 /nfs/dbraw/zinc/80/44/68/1070804468.db2.gz BKGHNEJOHXQKSA-CQSZACIVSA-N 1 0 403.483 -0.003 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000441995660 1070803303 /nfs/dbraw/zinc/80/33/03/1070803303.db2.gz FPUFVILLCYROEZ-GOSISDBHSA-N 1 0 417.510 -0.150 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000441995663 1070803685 /nfs/dbraw/zinc/80/36/85/1070803685.db2.gz FPUFVILLCYROEZ-SFHVURJKSA-N 1 0 417.510 -0.150 20 0 HBADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000441996070 1070817939 /nfs/dbraw/zinc/81/79/39/1070817939.db2.gz BFAZTIXMWVQBAX-KRWDZBQOSA-N 1 0 413.478 -0.220 20 0 HBADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000441996074 1070817798 /nfs/dbraw/zinc/81/77/98/1070817798.db2.gz BFAZTIXMWVQBAX-QGZVFWFLSA-N 1 0 413.478 -0.220 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000441996789 1070805237 /nfs/dbraw/zinc/80/52/37/1070805237.db2.gz FSYFLVGNSGAJDQ-KGLIPLIRSA-N 1 0 414.466 -0.344 20 0 HBADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000441997139 1070805403 /nfs/dbraw/zinc/80/54/03/1070805403.db2.gz DSLYOZYUUGYQIR-KRWDZBQOSA-N 1 0 413.478 -0.567 20 0 HBADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000441997144 1070805433 /nfs/dbraw/zinc/80/54/33/1070805433.db2.gz DSLYOZYUUGYQIR-QGZVFWFLSA-N 1 0 413.478 -0.567 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)CC2 ZINC000441997167 1070804851 /nfs/dbraw/zinc/80/48/51/1070804851.db2.gz GWVSDBKLSAJVGI-HNNXBMFYSA-N 1 0 424.523 -0.289 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)CC2 ZINC000441997173 1070804728 /nfs/dbraw/zinc/80/47/28/1070804728.db2.gz GWVSDBKLSAJVGI-OAHLLOKOSA-N 1 0 424.523 -0.289 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000441997353 1070805315 /nfs/dbraw/zinc/80/53/15/1070805315.db2.gz HHSKMCJHHHPXJJ-AWEZNQCLSA-N 1 0 403.443 -0.164 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000441997358 1070805058 /nfs/dbraw/zinc/80/50/58/1070805058.db2.gz HHSKMCJHHHPXJJ-CQSZACIVSA-N 1 0 403.443 -0.164 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000442000628 1070808508 /nfs/dbraw/zinc/80/85/08/1070808508.db2.gz LGSPPDIWBCANSV-UHFFFAOYSA-N 1 0 400.476 -0.127 20 0 HBADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000442001335 1070807772 /nfs/dbraw/zinc/80/77/72/1070807772.db2.gz NHWPGLBSPAGNOW-INIZCTEOSA-N 1 0 417.510 -0.041 20 0 HBADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000442001336 1070807898 /nfs/dbraw/zinc/80/78/98/1070807898.db2.gz NHWPGLBSPAGNOW-MRXNPFEDSA-N 1 0 417.510 -0.041 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000442001755 1070809014 /nfs/dbraw/zinc/80/90/14/1070809014.db2.gz LIAPYSGOTVCZHJ-KRWDZBQOSA-N 1 0 404.467 -0.066 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000442001759 1070809348 /nfs/dbraw/zinc/80/93/48/1070809348.db2.gz LIAPYSGOTVCZHJ-QGZVFWFLSA-N 1 0 404.467 -0.066 20 0 HBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000442002305 1070809203 /nfs/dbraw/zinc/80/92/03/1070809203.db2.gz OQGURPYAAOVELG-AWEZNQCLSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000442002308 1070808273 /nfs/dbraw/zinc/80/82/73/1070808273.db2.gz OQGURPYAAOVELG-CQSZACIVSA-N 1 0 414.470 -0.387 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1 ZINC000442002497 1070819591 /nfs/dbraw/zinc/81/95/91/1070819591.db2.gz UOOWALVDCRIJLJ-AWEZNQCLSA-N 1 0 403.443 -0.245 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1 ZINC000442002498 1070819296 /nfs/dbraw/zinc/81/92/96/1070819296.db2.gz UOOWALVDCRIJLJ-CQSZACIVSA-N 1 0 403.443 -0.245 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000442002916 1070809284 /nfs/dbraw/zinc/80/92/84/1070809284.db2.gz PIDBLQZHXDJCMR-AWEZNQCLSA-N 1 0 417.466 -0.957 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000442002917 1070809560 /nfs/dbraw/zinc/80/95/60/1070809560.db2.gz PIDBLQZHXDJCMR-CQSZACIVSA-N 1 0 417.466 -0.957 20 0 HBADRO CN1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2OCC1=O ZINC000442003878 1070821023 /nfs/dbraw/zinc/82/10/23/1070821023.db2.gz QCFCVVWGGOTBGZ-CYBMUJFWSA-N 1 0 417.466 -0.316 20 0 HBADRO CN1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2OCC1=O ZINC000442003885 1070821100 /nfs/dbraw/zinc/82/11/00/1070821100.db2.gz QCFCVVWGGOTBGZ-ZDUSSCGKSA-N 1 0 417.466 -0.316 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000442004295 1070820133 /nfs/dbraw/zinc/82/01/33/1070820133.db2.gz XGIMPTIESFKHAC-SJORKVTESA-N 1 0 418.498 -0.234 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000442004510 1070821700 /nfs/dbraw/zinc/82/17/00/1070821700.db2.gz SJWQEFKXKLCCKC-UHFFFAOYSA-N 1 0 424.523 -0.492 20 0 HBADRO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1)C1CC1 ZINC000442004559 1070822116 /nfs/dbraw/zinc/82/21/16/1070822116.db2.gz SMMCURDQZAWRTA-KRWDZBQOSA-N 1 0 413.478 -0.569 20 0 HBADRO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1)C1CC1 ZINC000442004561 1070822060 /nfs/dbraw/zinc/82/20/60/1070822060.db2.gz SMMCURDQZAWRTA-QGZVFWFLSA-N 1 0 413.478 -0.569 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000442006368 1070821628 /nfs/dbraw/zinc/82/16/28/1070821628.db2.gz SZTPOEJUSNQZHS-HNNXBMFYSA-N 1 0 404.467 -0.066 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000442006372 1070821806 /nfs/dbraw/zinc/82/18/06/1070821806.db2.gz SZTPOEJUSNQZHS-OAHLLOKOSA-N 1 0 404.467 -0.066 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1-n1cnnn1 ZINC000442009331 1070824117 /nfs/dbraw/zinc/82/41/17/1070824117.db2.gz ZNBGAKAMCAZGKW-CYBMUJFWSA-N 1 0 416.442 -0.935 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1-n1cnnn1 ZINC000442009337 1070824568 /nfs/dbraw/zinc/82/45/68/1070824568.db2.gz ZNBGAKAMCAZGKW-ZDUSSCGKSA-N 1 0 416.442 -0.935 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000442009804 1070824842 /nfs/dbraw/zinc/82/48/42/1070824842.db2.gz YZBFPGLFKBNMTP-INIZCTEOSA-N 1 0 424.523 -0.303 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000442009805 1070825207 /nfs/dbraw/zinc/82/52/07/1070825207.db2.gz YZBFPGLFKBNMTP-MRXNPFEDSA-N 1 0 424.523 -0.303 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000442013293 1070826498 /nfs/dbraw/zinc/82/64/98/1070826498.db2.gz JDWRXPZWIGVKQU-UHFFFAOYSA-N 1 0 401.475 -0.099 20 0 HBADRO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000442014830 1070828016 /nfs/dbraw/zinc/82/80/16/1070828016.db2.gz LUBSPLVQYKVZDN-GFCCVEGCSA-N 1 0 405.455 -0.065 20 0 HBADRO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000442014835 1070828641 /nfs/dbraw/zinc/82/86/41/1070828641.db2.gz LUBSPLVQYKVZDN-LBPRGKRZSA-N 1 0 405.455 -0.065 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000442018225 1070819668 /nfs/dbraw/zinc/81/96/68/1070819668.db2.gz MPTRJDWUIHELOS-CYBMUJFWSA-N 1 0 423.857 -0.019 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000442018226 1070819825 /nfs/dbraw/zinc/81/98/25/1070819825.db2.gz MPTRJDWUIHELOS-ZDUSSCGKSA-N 1 0 423.857 -0.019 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442019434 1070828869 /nfs/dbraw/zinc/82/88/69/1070828869.db2.gz OYAXCAYQZYRCHS-INIZCTEOSA-N 1 0 414.466 -0.470 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442019435 1070829327 /nfs/dbraw/zinc/82/93/27/1070829327.db2.gz OYAXCAYQZYRCHS-MRXNPFEDSA-N 1 0 414.466 -0.470 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442026297 1070833847 /nfs/dbraw/zinc/83/38/47/1070833847.db2.gz GLTHKSBWRICEFG-INIZCTEOSA-N 1 0 414.466 -0.865 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442026300 1070833665 /nfs/dbraw/zinc/83/36/65/1070833665.db2.gz GLTHKSBWRICEFG-MRXNPFEDSA-N 1 0 414.466 -0.865 20 0 HBADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442031939 1070837846 /nfs/dbraw/zinc/83/78/46/1070837846.db2.gz NDOVPRDDHLLYOT-HNNXBMFYSA-N 1 0 417.491 -0.064 20 0 HBADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442031940 1070837423 /nfs/dbraw/zinc/83/74/23/1070837423.db2.gz NDOVPRDDHLLYOT-OAHLLOKOSA-N 1 0 417.491 -0.064 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000442033829 1070839005 /nfs/dbraw/zinc/83/90/05/1070839005.db2.gz PMQBKHRYPQYMPG-AWEZNQCLSA-N 1 0 406.439 -0.032 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000442033834 1070838770 /nfs/dbraw/zinc/83/87/70/1070838770.db2.gz PMQBKHRYPQYMPG-CQSZACIVSA-N 1 0 406.439 -0.032 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000442035454 1070838541 /nfs/dbraw/zinc/83/85/41/1070838541.db2.gz VVEDXELPGJLBEE-AWEZNQCLSA-N 1 0 403.439 -0.363 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000442035457 1070838739 /nfs/dbraw/zinc/83/87/39/1070838739.db2.gz VVEDXELPGJLBEE-CQSZACIVSA-N 1 0 403.439 -0.363 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1 ZINC000442036005 1070839207 /nfs/dbraw/zinc/83/92/07/1070839207.db2.gz SKPWPSVSLSWAGU-FQEVSTJZSA-N 1 0 408.499 -0.235 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 ZINC000442036007 1070839821 /nfs/dbraw/zinc/83/98/21/1070839821.db2.gz SKPWPSVSLSWAGU-HXUWFJFHSA-N 1 0 408.499 -0.235 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000442038238 1070841091 /nfs/dbraw/zinc/84/10/91/1070841091.db2.gz ZHWATXAFKCWCQB-AWEZNQCLSA-N 1 0 416.438 -0.722 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000442038242 1070841138 /nfs/dbraw/zinc/84/11/38/1070841138.db2.gz ZHWATXAFKCWCQB-CQSZACIVSA-N 1 0 416.438 -0.722 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cn2)CC1 ZINC000442045033 1070847603 /nfs/dbraw/zinc/84/76/03/1070847603.db2.gz RIVIPKJFTSPKKC-AWEZNQCLSA-N 1 0 416.438 -0.744 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cn2)CC1 ZINC000442045034 1070847555 /nfs/dbraw/zinc/84/75/55/1070847555.db2.gz RIVIPKJFTSPKKC-CQSZACIVSA-N 1 0 416.438 -0.744 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1(O)CC[NH+](C)CC1)CC2 ZINC000442050940 1070842070 /nfs/dbraw/zinc/84/20/70/1070842070.db2.gz DQNCFOFUCTYIEH-UHFFFAOYSA-N 1 0 410.496 -0.943 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000442053396 1070842402 /nfs/dbraw/zinc/84/24/02/1070842402.db2.gz HMVBGLBMLZPEAL-FQEVSTJZSA-N 1 0 408.499 -0.235 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000442053398 1070841765 /nfs/dbraw/zinc/84/17/65/1070841765.db2.gz HMVBGLBMLZPEAL-HXUWFJFHSA-N 1 0 408.499 -0.235 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1(O)CC[NH+](C)CC1)CC2 ZINC000442061293 1070844733 /nfs/dbraw/zinc/84/47/33/1070844733.db2.gz STHNCIUYARQUDS-UHFFFAOYSA-N 1 0 424.523 -0.553 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000442084036 1070851165 /nfs/dbraw/zinc/85/11/65/1070851165.db2.gz QNTBCGQPMAGSQL-CABCVRRESA-N 1 0 406.487 -0.616 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000442084038 1070851243 /nfs/dbraw/zinc/85/12/43/1070851243.db2.gz QNTBCGQPMAGSQL-GJZGRUSLSA-N 1 0 406.487 -0.616 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000442084040 1070850819 /nfs/dbraw/zinc/85/08/19/1070850819.db2.gz QNTBCGQPMAGSQL-HUUCEWRRSA-N 1 0 406.487 -0.616 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000442084043 1070850920 /nfs/dbraw/zinc/85/09/20/1070850920.db2.gz QNTBCGQPMAGSQL-LSDHHAIUSA-N 1 0 406.487 -0.616 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000442089015 1070858355 /nfs/dbraw/zinc/85/83/55/1070858355.db2.gz XEPXCJHHOVTFJE-AWEZNQCLSA-N 1 0 400.439 0.302 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000442089018 1070858463 /nfs/dbraw/zinc/85/84/63/1070858463.db2.gz XEPXCJHHOVTFJE-CQSZACIVSA-N 1 0 400.439 0.302 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)ccc1C ZINC000442117022 1070860155 /nfs/dbraw/zinc/86/01/55/1070860155.db2.gz DIEVQMNAOJPORT-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442120771 1070859667 /nfs/dbraw/zinc/85/96/67/1070859667.db2.gz HPOQQJUFAGEZOU-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000442154859 1070863797 /nfs/dbraw/zinc/86/37/97/1070863797.db2.gz SFNPHDREBPWIRJ-UHFFFAOYSA-N 1 0 400.501 -0.026 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC000442159861 1070864115 /nfs/dbraw/zinc/86/41/15/1070864115.db2.gz QYAWPTDZXZSOOG-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+](C)CCCOC)CC2 ZINC000442163311 1070862128 /nfs/dbraw/zinc/86/21/28/1070862128.db2.gz UQKMYZPXFXQYBC-UHFFFAOYSA-N 1 0 412.512 -0.432 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000442168121 1070862419 /nfs/dbraw/zinc/86/24/19/1070862419.db2.gz DFNLUBCSAVWOSU-UHFFFAOYSA-N 1 0 410.446 -0.021 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000442168503 1070862636 /nfs/dbraw/zinc/86/26/36/1070862636.db2.gz QRUWWUGMKIDRGC-UHFFFAOYSA-N 1 0 405.499 -0.245 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000442172926 1070863341 /nfs/dbraw/zinc/86/33/41/1070863341.db2.gz WHRWYNBTOQMLSD-UHFFFAOYSA-N 1 0 404.464 -0.243 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[NH2+]CCOC)CC2 ZINC000442179296 1070865572 /nfs/dbraw/zinc/86/55/72/1070865572.db2.gz CDFBFAPBWDDQFO-UHFFFAOYSA-N 1 0 412.512 -0.384 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000442186370 1070863743 /nfs/dbraw/zinc/86/37/43/1070863743.db2.gz GUFBZGOYRVNPFX-UHFFFAOYSA-N 1 0 412.512 -0.315 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000442188330 1070865086 /nfs/dbraw/zinc/86/50/86/1070865086.db2.gz YSQWWSUGDDJDPS-KRWDZBQOSA-N 1 0 419.482 -0.512 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000442188331 1070864728 /nfs/dbraw/zinc/86/47/28/1070864728.db2.gz YSQWWSUGDDJDPS-QGZVFWFLSA-N 1 0 419.482 -0.512 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000442191072 1070864477 /nfs/dbraw/zinc/86/44/77/1070864477.db2.gz CGDISARZALXMGA-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c2)CC1 ZINC000442218608 1070870052 /nfs/dbraw/zinc/87/00/52/1070870052.db2.gz UXJKAZFDJMPDPI-AWEZNQCLSA-N 1 0 411.528 -0.051 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1 ZINC000442218613 1070869761 /nfs/dbraw/zinc/86/97/61/1070869761.db2.gz UXJKAZFDJMPDPI-CQSZACIVSA-N 1 0 411.528 -0.051 20 0 HBADRO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442219479 1070869740 /nfs/dbraw/zinc/86/97/40/1070869740.db2.gz WAFONGBSCLQTRN-CYBMUJFWSA-N 1 0 423.518 -0.739 20 0 HBADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442219486 1070870703 /nfs/dbraw/zinc/87/07/03/1070870703.db2.gz WAFONGBSCLQTRN-ZDUSSCGKSA-N 1 0 423.518 -0.739 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000442224393 1070870773 /nfs/dbraw/zinc/87/07/73/1070870773.db2.gz QIRKGLHPWSFDNU-AWEZNQCLSA-N 1 0 410.496 -0.238 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000442224394 1070870921 /nfs/dbraw/zinc/87/09/21/1070870921.db2.gz QIRKGLHPWSFDNU-CQSZACIVSA-N 1 0 410.496 -0.238 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000442229711 1070869326 /nfs/dbraw/zinc/86/93/26/1070869326.db2.gz BQTHIPAGIYHTHB-AWEZNQCLSA-N 1 0 415.454 -0.210 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000442229712 1070869185 /nfs/dbraw/zinc/86/91/85/1070869185.db2.gz BQTHIPAGIYHTHB-CQSZACIVSA-N 1 0 415.454 -0.210 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000442233292 1070874321 /nfs/dbraw/zinc/87/43/21/1070874321.db2.gz LQPFHEBZQZAHGQ-AWEZNQCLSA-N 1 0 410.496 -0.286 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000442233295 1070874400 /nfs/dbraw/zinc/87/44/00/1070874400.db2.gz LQPFHEBZQZAHGQ-CQSZACIVSA-N 1 0 410.496 -0.286 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442238424 1070871073 /nfs/dbraw/zinc/87/10/73/1070871073.db2.gz CDTVRKSBZZWUJJ-HNNXBMFYSA-N 1 0 404.467 -0.069 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442238427 1070871315 /nfs/dbraw/zinc/87/13/15/1070871315.db2.gz CDTVRKSBZZWUJJ-OAHLLOKOSA-N 1 0 404.467 -0.069 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000442238797 1070871607 /nfs/dbraw/zinc/87/16/07/1070871607.db2.gz RNFZMPQLHUZTKQ-GFCCVEGCSA-N 1 0 414.459 -0.408 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000442238800 1070871266 /nfs/dbraw/zinc/87/12/66/1070871266.db2.gz RNFZMPQLHUZTKQ-LBPRGKRZSA-N 1 0 414.459 -0.408 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OCC(N)=O ZINC000442238839 1070871700 /nfs/dbraw/zinc/87/17/00/1070871700.db2.gz RPXQCDAKFJPQDC-AWEZNQCLSA-N 1 0 420.466 -0.322 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1OCC(N)=O ZINC000442238841 1070871203 /nfs/dbraw/zinc/87/12/03/1070871203.db2.gz RPXQCDAKFJPQDC-CQSZACIVSA-N 1 0 420.466 -0.322 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442241824 1070871931 /nfs/dbraw/zinc/87/19/31/1070871931.db2.gz LSJNDQSEUCDEKL-INIZCTEOSA-N 1 0 424.523 -0.145 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442241825 1070872139 /nfs/dbraw/zinc/87/21/39/1070872139.db2.gz LSJNDQSEUCDEKL-MRXNPFEDSA-N 1 0 424.523 -0.145 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2n(C)c1=O ZINC000442243327 1070872004 /nfs/dbraw/zinc/87/20/04/1070872004.db2.gz ODJBRKFGAATBOJ-AWEZNQCLSA-N 1 0 401.467 -0.004 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2n(C)c1=O ZINC000442243328 1070872221 /nfs/dbraw/zinc/87/22/21/1070872221.db2.gz ODJBRKFGAATBOJ-CQSZACIVSA-N 1 0 401.467 -0.004 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2O1 ZINC000442248538 1070872284 /nfs/dbraw/zinc/87/22/84/1070872284.db2.gz FCHIOXKPRRPXQQ-CRAIPNDOSA-N 1 0 416.478 -0.293 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2O1 ZINC000442248539 1070871866 /nfs/dbraw/zinc/87/18/66/1070871866.db2.gz FCHIOXKPRRPXQQ-MAUKXSAKSA-N 1 0 416.478 -0.293 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2O1 ZINC000442248540 1070873007 /nfs/dbraw/zinc/87/30/07/1070873007.db2.gz FCHIOXKPRRPXQQ-QAPCUYQASA-N 1 0 416.478 -0.293 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2O1 ZINC000442248541 1070872592 /nfs/dbraw/zinc/87/25/92/1070872592.db2.gz FCHIOXKPRRPXQQ-YJBOKZPZSA-N 1 0 416.478 -0.293 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000442259260 1070876187 /nfs/dbraw/zinc/87/61/87/1070876187.db2.gz XGSYDEZZKDFOKS-KRWDZBQOSA-N 1 0 414.462 -0.071 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000442259262 1070875615 /nfs/dbraw/zinc/87/56/15/1070875615.db2.gz XGSYDEZZKDFOKS-QGZVFWFLSA-N 1 0 414.462 -0.071 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442259962 1070876704 /nfs/dbraw/zinc/87/67/04/1070876704.db2.gz MUNDKOOBHPYZII-INIZCTEOSA-N 1 0 419.482 -0.385 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442259963 1070876449 /nfs/dbraw/zinc/87/64/49/1070876449.db2.gz MUNDKOOBHPYZII-MRXNPFEDSA-N 1 0 419.482 -0.385 20 0 HBADRO COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442260067 1070876355 /nfs/dbraw/zinc/87/63/55/1070876355.db2.gz RODFPANEPQXIJV-HNNXBMFYSA-N 1 0 402.455 0.499 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H]([NH+]3CC=CC3)C1)CC2 ZINC000442262685 1070877034 /nfs/dbraw/zinc/87/70/34/1070877034.db2.gz QJVSDKVMHNVQST-HNNXBMFYSA-N 1 0 404.492 -0.044 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)CC2 ZINC000442262688 1070877232 /nfs/dbraw/zinc/87/72/32/1070877232.db2.gz QJVSDKVMHNVQST-OAHLLOKOSA-N 1 0 404.492 -0.044 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442265427 1070878301 /nfs/dbraw/zinc/87/83/01/1070878301.db2.gz JBBFYEZSYWNNFW-GOSISDBHSA-N 1 0 417.510 -0.528 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442265428 1070877797 /nfs/dbraw/zinc/87/77/97/1070877797.db2.gz JBBFYEZSYWNNFW-SFHVURJKSA-N 1 0 417.510 -0.528 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000442269942 1070880538 /nfs/dbraw/zinc/88/05/38/1070880538.db2.gz ZGRIQIKVDUJOPK-UHFFFAOYSA-N 1 0 416.482 -0.191 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](CCOC)C(N)=O ZINC000442275135 1070882580 /nfs/dbraw/zinc/88/25/80/1070882580.db2.gz SLZBRZJLABTWJO-INIZCTEOSA-N 1 0 421.498 -0.218 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](CCOC)C(N)=O ZINC000442275137 1070882527 /nfs/dbraw/zinc/88/25/27/1070882527.db2.gz SLZBRZJLABTWJO-MRXNPFEDSA-N 1 0 421.498 -0.218 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)cc2)CC1 ZINC000442276268 1070883287 /nfs/dbraw/zinc/88/32/87/1070883287.db2.gz QAUQLMYJCOBUDO-KRWDZBQOSA-N 1 0 405.499 -0.231 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)cc2)CC1 ZINC000442276275 1070882991 /nfs/dbraw/zinc/88/29/91/1070882991.db2.gz QAUQLMYJCOBUDO-QGZVFWFLSA-N 1 0 405.499 -0.231 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442280784 1070885780 /nfs/dbraw/zinc/88/57/80/1070885780.db2.gz XFJZRBZDXAJVLI-GOSISDBHSA-N 1 0 417.510 -0.134 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442280957 1070886331 /nfs/dbraw/zinc/88/63/31/1070886331.db2.gz XFJZRBZDXAJVLI-SFHVURJKSA-N 1 0 417.510 -0.134 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442282878 1070887306 /nfs/dbraw/zinc/88/73/06/1070887306.db2.gz DGQQCPXCKFIGQD-BZSNNMDCSA-N 1 0 418.494 -0.255 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442282879 1070887081 /nfs/dbraw/zinc/88/70/81/1070887081.db2.gz DGQQCPXCKFIGQD-KSZLIROESA-N 1 0 418.494 -0.255 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442282880 1070886842 /nfs/dbraw/zinc/88/68/42/1070886842.db2.gz DGQQCPXCKFIGQD-OKZBNKHCSA-N 1 0 418.494 -0.255 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442282882 1070887444 /nfs/dbraw/zinc/88/74/44/1070887444.db2.gz DGQQCPXCKFIGQD-RCCFBDPRSA-N 1 0 418.494 -0.255 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC000442290025 1070890496 /nfs/dbraw/zinc/89/04/96/1070890496.db2.gz ICUOEWOSTWRQEC-DLBZAZTESA-N 1 0 406.483 -0.349 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c1 ZINC000442290026 1070890311 /nfs/dbraw/zinc/89/03/11/1070890311.db2.gz ICUOEWOSTWRQEC-IAGOWNOFSA-N 1 0 406.483 -0.349 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC000442290027 1070890113 /nfs/dbraw/zinc/89/01/13/1070890113.db2.gz ICUOEWOSTWRQEC-IRXDYDNUSA-N 1 0 406.483 -0.349 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c1 ZINC000442290028 1070890374 /nfs/dbraw/zinc/89/03/74/1070890374.db2.gz ICUOEWOSTWRQEC-SJORKVTESA-N 1 0 406.483 -0.349 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000442293801 1070891485 /nfs/dbraw/zinc/89/14/85/1070891485.db2.gz PLJYSVGNSHGGPZ-CVEARBPZSA-N 1 0 406.483 -0.270 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000442293803 1070891750 /nfs/dbraw/zinc/89/17/50/1070891750.db2.gz PLJYSVGNSHGGPZ-HOTGVXAUSA-N 1 0 406.483 -0.270 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC000442293806 1070891369 /nfs/dbraw/zinc/89/13/69/1070891369.db2.gz PLJYSVGNSHGGPZ-HZPDHXFCSA-N 1 0 406.483 -0.270 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC000442293809 1070892422 /nfs/dbraw/zinc/89/24/22/1070892422.db2.gz PLJYSVGNSHGGPZ-JKSUJKDBSA-N 1 0 406.483 -0.270 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c(OCC[NH+](C)C)c1 ZINC000442295853 1070884609 /nfs/dbraw/zinc/88/46/09/1070884609.db2.gz MIFKPZQWQLSPSS-INIZCTEOSA-N 1 0 406.483 -0.027 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c(OCC[NH+](C)C)c1 ZINC000442295856 1070884859 /nfs/dbraw/zinc/88/48/59/1070884859.db2.gz MIFKPZQWQLSPSS-MRXNPFEDSA-N 1 0 406.483 -0.027 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cn2)CC1 ZINC000442295883 1070885062 /nfs/dbraw/zinc/88/50/62/1070885062.db2.gz MKTLRVWYLODECX-INIZCTEOSA-N 1 0 419.482 -0.407 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cn2)CC1 ZINC000442295890 1070884996 /nfs/dbraw/zinc/88/49/96/1070884996.db2.gz MKTLRVWYLODECX-MRXNPFEDSA-N 1 0 419.482 -0.407 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000442313334 1070893850 /nfs/dbraw/zinc/89/38/50/1070893850.db2.gz YXMIBXQXPDYZRD-CYBMUJFWSA-N 1 0 420.470 -0.956 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000442313339 1070893824 /nfs/dbraw/zinc/89/38/24/1070893824.db2.gz YXMIBXQXPDYZRD-ZDUSSCGKSA-N 1 0 420.470 -0.956 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000442316092 1070896343 /nfs/dbraw/zinc/89/63/43/1070896343.db2.gz NSVJUDBGFKLBMR-HNNXBMFYSA-N 1 0 406.487 -0.571 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000442316093 1070896116 /nfs/dbraw/zinc/89/61/16/1070896116.db2.gz NSVJUDBGFKLBMR-OAHLLOKOSA-N 1 0 406.487 -0.571 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000442324090 1070895439 /nfs/dbraw/zinc/89/54/39/1070895439.db2.gz MTOWPFBDCYLFCI-CYBMUJFWSA-N 1 0 404.464 -0.115 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000442324091 1070895506 /nfs/dbraw/zinc/89/55/06/1070895506.db2.gz MTOWPFBDCYLFCI-ZDUSSCGKSA-N 1 0 404.464 -0.115 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000442343543 1070898023 /nfs/dbraw/zinc/89/80/23/1070898023.db2.gz VEGFZKGRJYYZKS-PBHICJAKSA-N 1 0 406.483 0.000 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 ZINC000442343548 1070898249 /nfs/dbraw/zinc/89/82/49/1070898249.db2.gz VEGFZKGRJYYZKS-RHSMWYFYSA-N 1 0 406.483 0.000 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 ZINC000442343550 1070897993 /nfs/dbraw/zinc/89/79/93/1070897993.db2.gz VEGFZKGRJYYZKS-WMLDXEAASA-N 1 0 406.483 0.000 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000442343551 1070898271 /nfs/dbraw/zinc/89/82/71/1070898271.db2.gz VEGFZKGRJYYZKS-YOEHRIQHSA-N 1 0 406.483 0.000 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)S(N)(=O)=O ZINC000442349194 1070899412 /nfs/dbraw/zinc/89/94/12/1070899412.db2.gz MHXWCILVEAKLBE-GFCCVEGCSA-N 1 0 400.526 -0.033 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)S(N)(=O)=O ZINC000442349195 1070900160 /nfs/dbraw/zinc/90/01/60/1070900160.db2.gz MHXWCILVEAKLBE-LBPRGKRZSA-N 1 0 400.526 -0.033 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc2)CC1 ZINC000442352333 1070897234 /nfs/dbraw/zinc/89/72/34/1070897234.db2.gz PGSVWZACZGEWEB-AWEZNQCLSA-N 1 0 411.528 -0.444 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc2)CC1 ZINC000442352351 1070896682 /nfs/dbraw/zinc/89/66/82/1070896682.db2.gz PGSVWZACZGEWEB-CQSZACIVSA-N 1 0 411.528 -0.444 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1C1CC1 ZINC000442355667 1070897035 /nfs/dbraw/zinc/89/70/35/1070897035.db2.gz WXHKHVBMXSKSBW-CMPLNLGQSA-N 1 0 400.439 -0.688 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1C1CC1 ZINC000442355668 1070896802 /nfs/dbraw/zinc/89/68/02/1070896802.db2.gz WXHKHVBMXSKSBW-JQWIXIFHSA-N 1 0 400.439 -0.688 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1C1CC1 ZINC000442355669 1070897171 /nfs/dbraw/zinc/89/71/71/1070897171.db2.gz WXHKHVBMXSKSBW-PWSUYJOCSA-N 1 0 400.439 -0.688 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1C1CC1 ZINC000442355670 1070897115 /nfs/dbraw/zinc/89/71/15/1070897115.db2.gz WXHKHVBMXSKSBW-ZYHUDNBSSA-N 1 0 400.439 -0.688 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C2CCOCC2)cn1 ZINC000442397137 1070902582 /nfs/dbraw/zinc/90/25/82/1070902582.db2.gz XJBOZKSWVOFEBQ-KRWDZBQOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C2CCOCC2)cn1 ZINC000442397143 1070902489 /nfs/dbraw/zinc/90/24/89/1070902489.db2.gz XJBOZKSWVOFEBQ-QGZVFWFLSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000442403763 1070902257 /nfs/dbraw/zinc/90/22/57/1070902257.db2.gz AZIFYQMAVYIBQU-CVEARBPZSA-N 1 0 422.530 -0.245 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000442403767 1070902216 /nfs/dbraw/zinc/90/22/16/1070902216.db2.gz AZIFYQMAVYIBQU-HOTGVXAUSA-N 1 0 422.530 -0.245 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000442403771 1070902600 /nfs/dbraw/zinc/90/26/00/1070902600.db2.gz AZIFYQMAVYIBQU-HZPDHXFCSA-N 1 0 422.530 -0.245 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000442403775 1070903105 /nfs/dbraw/zinc/90/31/05/1070903105.db2.gz AZIFYQMAVYIBQU-JKSUJKDBSA-N 1 0 422.530 -0.245 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)n(C)n1 ZINC000442417179 1069576029 /nfs/dbraw/zinc/57/60/29/1069576029.db2.gz WXDNAOXXKFYPGT-AWEZNQCLSA-N 1 0 408.422 0.169 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)n(C)n1 ZINC000442417182 1070904004 /nfs/dbraw/zinc/90/40/04/1070904004.db2.gz WXDNAOXXKFYPGT-CQSZACIVSA-N 1 0 408.422 0.169 20 0 HBADRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442417513 1070903979 /nfs/dbraw/zinc/90/39/79/1070903979.db2.gz XFRULZGWDCJXOL-HNNXBMFYSA-N 1 0 403.487 0.334 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442417517 1070903858 /nfs/dbraw/zinc/90/38/58/1070903858.db2.gz XFRULZGWDCJXOL-OAHLLOKOSA-N 1 0 403.487 0.334 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000442426658 1070906274 /nfs/dbraw/zinc/90/62/74/1070906274.db2.gz LYOMTTVTYMVGGH-CYBMUJFWSA-N 1 0 403.443 -0.475 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000442426659 1070905998 /nfs/dbraw/zinc/90/59/98/1070905998.db2.gz LYOMTTVTYMVGGH-ZDUSSCGKSA-N 1 0 403.443 -0.475 20 0 HBADRO CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)no1 ZINC000442433311 1070906806 /nfs/dbraw/zinc/90/68/06/1070906806.db2.gz QHESHOKTEDWQPH-CYBMUJFWSA-N 1 0 405.459 0.490 20 0 HBADRO CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)no1 ZINC000442433313 1070906937 /nfs/dbraw/zinc/90/69/37/1070906937.db2.gz QHESHOKTEDWQPH-ZDUSSCGKSA-N 1 0 405.459 0.490 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c(OCC[NH+](C)C)c1 ZINC000442436609 1070908352 /nfs/dbraw/zinc/90/83/52/1070908352.db2.gz CJASDYIEYIVZQY-UHFFFAOYSA-N 1 0 415.454 -0.352 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 ZINC000442470209 1070909820 /nfs/dbraw/zinc/90/98/20/1070909820.db2.gz SWHQFWSWLYTNLC-UHFFFAOYSA-N 1 0 401.427 -0.661 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)n1 ZINC000442482955 1069668664 /nfs/dbraw/zinc/66/86/64/1069668664.db2.gz ACROTYZGAXPRIR-AWEZNQCLSA-N 1 0 408.422 0.251 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)n1 ZINC000442482958 1069668640 /nfs/dbraw/zinc/66/86/40/1069668640.db2.gz ACROTYZGAXPRIR-CQSZACIVSA-N 1 0 408.422 0.251 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000442495335 1070914704 /nfs/dbraw/zinc/91/47/04/1070914704.db2.gz MXUPYUPGHLCBNC-NRFANRHFSA-N 1 0 415.494 0.563 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000442495337 1069611153 /nfs/dbraw/zinc/61/11/53/1069611153.db2.gz MXUPYUPGHLCBNC-OAQYLSRUSA-N 1 0 415.494 0.563 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000442497752 1070914627 /nfs/dbraw/zinc/91/46/27/1070914627.db2.gz UKFQZSICVPWOSZ-UHFFFAOYSA-N 1 0 401.427 -0.661 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000442511051 1070916276 /nfs/dbraw/zinc/91/62/76/1070916276.db2.gz DGQQCPXCKFIGQD-SQNIBIBYSA-N 1 0 418.494 -0.255 20 0 HBADRO COCC(=O)NC1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000442548188 1070923455 /nfs/dbraw/zinc/92/34/55/1070923455.db2.gz SNGRQUJCJHQLQK-UHFFFAOYSA-N 1 0 405.455 -0.534 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442574561 1070924895 /nfs/dbraw/zinc/92/48/95/1070924895.db2.gz NUPDVXVQNPZGDJ-CYBMUJFWSA-N 1 0 402.455 -0.487 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442574574 1070925229 /nfs/dbraw/zinc/92/52/29/1070925229.db2.gz NUPDVXVQNPZGDJ-ZDUSSCGKSA-N 1 0 402.455 -0.487 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442590243 1070924174 /nfs/dbraw/zinc/92/41/74/1070924174.db2.gz CHQPNCHJSNBCHW-GFCCVEGCSA-N 1 0 402.455 -0.629 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442590244 1070924243 /nfs/dbraw/zinc/92/42/43/1070924243.db2.gz CHQPNCHJSNBCHW-LBPRGKRZSA-N 1 0 402.455 -0.629 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442593771 1070926673 /nfs/dbraw/zinc/92/66/73/1070926673.db2.gz KOWOFSUIWWKAPN-UHFFFAOYSA-N 1 0 406.455 -0.001 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442603356 1070927326 /nfs/dbraw/zinc/92/73/26/1070927326.db2.gz VTULHSJQFPHPCG-GOSISDBHSA-N 1 0 424.590 -0.413 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442603357 1070927451 /nfs/dbraw/zinc/92/74/51/1070927451.db2.gz VTULHSJQFPHPCG-SFHVURJKSA-N 1 0 424.590 -0.413 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442615986 1070926557 /nfs/dbraw/zinc/92/65/57/1070926557.db2.gz CBSJUOIYMOMJGX-UHFFFAOYSA-N 1 0 419.592 -0.294 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1(C)C ZINC000442667807 1070931957 /nfs/dbraw/zinc/93/19/57/1070931957.db2.gz AQNIMIITLICWEG-UHFFFAOYSA-N 1 0 422.530 -0.985 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442700652 1070931867 /nfs/dbraw/zinc/93/18/67/1070931867.db2.gz QQBRQIRANSDPJZ-CYBMUJFWSA-N 1 0 416.482 -0.239 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442700654 1070932601 /nfs/dbraw/zinc/93/26/01/1070932601.db2.gz QQBRQIRANSDPJZ-ZDUSSCGKSA-N 1 0 416.482 -0.239 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442706326 1070932561 /nfs/dbraw/zinc/93/25/61/1070932561.db2.gz YDNPKZHMSOHUQQ-CYBMUJFWSA-N 1 0 416.482 -0.239 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000442706327 1070932711 /nfs/dbraw/zinc/93/27/11/1070932711.db2.gz YDNPKZHMSOHUQQ-ZDUSSCGKSA-N 1 0 416.482 -0.239 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000442882474 1070941991 /nfs/dbraw/zinc/94/19/91/1070941991.db2.gz AANAUEUTVDFUAB-DOMZBBRYSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)CC1 ZINC000442882475 1070942207 /nfs/dbraw/zinc/94/22/07/1070942207.db2.gz AANAUEUTVDFUAB-IUODEOHRSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)CC1 ZINC000442882476 1070942060 /nfs/dbraw/zinc/94/20/60/1070942060.db2.gz AANAUEUTVDFUAB-SWLSCSKDSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)CC1 ZINC000442882477 1070941800 /nfs/dbraw/zinc/94/18/00/1070941800.db2.gz AANAUEUTVDFUAB-WFASDCNBSA-N 1 0 400.501 -0.173 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000442892843 1070942990 /nfs/dbraw/zinc/94/29/90/1070942990.db2.gz OOWAJEWLWFKQSW-KBPBESRZSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000442892846 1070942673 /nfs/dbraw/zinc/94/26/73/1070942673.db2.gz OOWAJEWLWFKQSW-KGLIPLIRSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000442892849 1070942967 /nfs/dbraw/zinc/94/29/67/1070942967.db2.gz OOWAJEWLWFKQSW-UONOGXRCSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000442892851 1070942829 /nfs/dbraw/zinc/94/28/29/1070942829.db2.gz OOWAJEWLWFKQSW-ZIAGYGMSSA-N 1 0 411.503 -0.131 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1(C)C ZINC000442894873 1070942766 /nfs/dbraw/zinc/94/27/66/1070942766.db2.gz CMJVOWZBQDROSC-UHFFFAOYSA-N 1 0 419.511 -0.146 20 0 HBADRO Cc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000442901854 1070946203 /nfs/dbraw/zinc/94/62/03/1070946203.db2.gz OXQXNWLKLIIKBL-UHFFFAOYSA-N 1 0 402.499 -0.304 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442903091 1070946283 /nfs/dbraw/zinc/94/62/83/1070946283.db2.gz SBXRKRNEPPFGDY-UHFFFAOYSA-N 1 0 401.533 -0.305 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000442939021 1070950455 /nfs/dbraw/zinc/95/04/55/1070950455.db2.gz BNVIBDDQSZFJAA-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC)C2)CC1 ZINC000442943645 1070951347 /nfs/dbraw/zinc/95/13/47/1070951347.db2.gz RUCVPXFTCWQRJW-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC)C2)CC1 ZINC000442943648 1070951455 /nfs/dbraw/zinc/95/14/55/1070951455.db2.gz RUCVPXFTCWQRJW-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000442946530 1070951199 /nfs/dbraw/zinc/95/11/99/1070951199.db2.gz QRVROVILLNWZID-AWEZNQCLSA-N 1 0 405.542 -0.034 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000442946531 1070951523 /nfs/dbraw/zinc/95/15/23/1070951523.db2.gz QRVROVILLNWZID-CQSZACIVSA-N 1 0 405.542 -0.034 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000442954032 1070949682 /nfs/dbraw/zinc/94/96/82/1070949682.db2.gz CQYWTTJFKLPSGQ-AWEZNQCLSA-N 1 0 404.558 -0.244 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000442954033 1070949873 /nfs/dbraw/zinc/94/98/73/1070949873.db2.gz CQYWTTJFKLPSGQ-CQSZACIVSA-N 1 0 404.558 -0.244 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000442958145 1071180048 /nfs/dbraw/zinc/18/00/48/1071180048.db2.gz VTSNYQCKPASQBI-UHFFFAOYSA-N 1 0 409.530 -0.844 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1(C)C ZINC000442959798 1070952731 /nfs/dbraw/zinc/95/27/31/1070952731.db2.gz AVSDRDLQNNDGJP-UHFFFAOYSA-N 1 0 403.487 0.524 20 0 HBADRO CCc1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000442969679 1070954482 /nfs/dbraw/zinc/95/44/82/1070954482.db2.gz VILKKARZDZMAPH-UHFFFAOYSA-N 1 0 416.526 -0.050 20 0 HBADRO Cc1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000442973089 1070955083 /nfs/dbraw/zinc/95/50/83/1070955083.db2.gz NDBALWACFGLBOF-UHFFFAOYSA-N 1 0 402.499 -0.304 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1=O ZINC000442975042 1070952173 /nfs/dbraw/zinc/95/21/73/1070952173.db2.gz QPAHDSRGMYHDDK-GFCCVEGCSA-N 1 0 418.466 -0.231 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1=O ZINC000442975044 1070951948 /nfs/dbraw/zinc/95/19/48/1070951948.db2.gz QPAHDSRGMYHDDK-LBPRGKRZSA-N 1 0 418.466 -0.231 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000442981156 1070956368 /nfs/dbraw/zinc/95/63/68/1070956368.db2.gz UEFXLGXAOSGANO-IBGZPJMESA-N 1 0 409.531 -0.256 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000442981159 1070956498 /nfs/dbraw/zinc/95/64/98/1070956498.db2.gz UEFXLGXAOSGANO-LJQANCHMSA-N 1 0 409.531 -0.256 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000442986767 1070957198 /nfs/dbraw/zinc/95/71/98/1070957198.db2.gz CVJKPVQHLJQFTD-CYBMUJFWSA-N 1 0 418.541 -0.540 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000442986769 1070957091 /nfs/dbraw/zinc/95/70/91/1070957091.db2.gz CVJKPVQHLJQFTD-ZDUSSCGKSA-N 1 0 418.541 -0.540 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000443030949 1070962066 /nfs/dbraw/zinc/96/20/66/1070962066.db2.gz ZHRYIYZFFPEXIA-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000443056338 1070966037 /nfs/dbraw/zinc/96/60/37/1070966037.db2.gz ZOXZMMGLTSXCHM-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000443056339 1070966087 /nfs/dbraw/zinc/96/60/87/1070966087.db2.gz ZOXZMMGLTSXCHM-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443074813 1070967294 /nfs/dbraw/zinc/96/72/94/1070967294.db2.gz GBBCXNPPHLVMHD-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000443075506 1070967342 /nfs/dbraw/zinc/96/73/42/1070967342.db2.gz BFVWIXKRSFNUCZ-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO C[N@@H+]1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000443077488 1070967412 /nfs/dbraw/zinc/96/74/12/1070967412.db2.gz FHAFMAMVRUNPHZ-UHFFFAOYSA-N 1 0 418.585 -0.090 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cnc21 ZINC000443078548 1070968046 /nfs/dbraw/zinc/96/80/46/1070968046.db2.gz OEIPDOTYZBCDNL-UHFFFAOYSA-N 1 0 410.500 -0.662 20 0 HBADRO C[N@@H+]1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1(C)C ZINC000443080441 1070968334 /nfs/dbraw/zinc/96/83/34/1070968334.db2.gz TWMIVXADUARSMG-UHFFFAOYSA-N 1 0 410.606 -0.397 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000443106709 1070969401 /nfs/dbraw/zinc/96/94/01/1070969401.db2.gz WYTYBNJXNQWQIG-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000443109621 1070970218 /nfs/dbraw/zinc/97/02/18/1070970218.db2.gz MOUAIJFTKCYNMW-KRWDZBQOSA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000443109624 1070970446 /nfs/dbraw/zinc/97/04/46/1070970446.db2.gz MOUAIJFTKCYNMW-QGZVFWFLSA-N 1 0 417.510 -0.331 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000443110500 1070970367 /nfs/dbraw/zinc/97/03/67/1070970367.db2.gz NKPOILPTMNVAQT-UHFFFAOYSA-N 1 0 419.530 0.467 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1(C)C ZINC000443110712 1070971050 /nfs/dbraw/zinc/97/10/50/1070971050.db2.gz BQFOHOXJFZETBM-UHFFFAOYSA-N 1 0 404.450 -0.118 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1=O ZINC000443114510 1070971727 /nfs/dbraw/zinc/97/17/27/1070971727.db2.gz WCYSKSFCQQGLSP-UHFFFAOYSA-N 1 0 421.498 -0.508 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000443114525 1070971795 /nfs/dbraw/zinc/97/17/95/1070971795.db2.gz GFMWCRZXIYWVCS-UHFFFAOYSA-N 1 0 411.528 -0.325 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000443115178 1070971638 /nfs/dbraw/zinc/97/16/38/1070971638.db2.gz XQNOEVVLHNVTFP-UHFFFAOYSA-N 1 0 405.503 0.125 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1(C)C ZINC000443116440 1070971857 /nfs/dbraw/zinc/97/18/57/1070971857.db2.gz QAXUIZQLCAPRSQ-UHFFFAOYSA-N 1 0 404.515 -0.001 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1(C)C ZINC000443118390 1070972449 /nfs/dbraw/zinc/97/24/49/1070972449.db2.gz VTGHFZOBWLVBKI-UHFFFAOYSA-N 1 0 404.515 -0.001 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2n(C)c1=O ZINC000443118720 1070972392 /nfs/dbraw/zinc/97/23/92/1070972392.db2.gz JXCYOHXPFNAEDG-UHFFFAOYSA-N 1 0 402.499 -0.042 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1S(N)(=O)=O ZINC000443119851 1070972587 /nfs/dbraw/zinc/97/25/87/1070972587.db2.gz ZQGATLZHVRNTAP-UHFFFAOYSA-N 1 0 411.528 -0.277 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2C1=O ZINC000443120383 1070972360 /nfs/dbraw/zinc/97/23/60/1070972360.db2.gz UBBFNWBITIQBAW-UHFFFAOYSA-N 1 0 401.467 -0.007 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1-n1cnnn1 ZINC000443121686 1070972424 /nfs/dbraw/zinc/97/24/24/1070972424.db2.gz DDXGYHFRKWBBKZ-UHFFFAOYSA-N 1 0 416.486 -0.248 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000443123076 1070972695 /nfs/dbraw/zinc/97/26/95/1070972695.db2.gz YHAIXCGHIBDKAQ-UHFFFAOYSA-N 1 0 405.499 -0.108 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1(C)C ZINC000443124710 1070973441 /nfs/dbraw/zinc/97/34/41/1070973441.db2.gz TVUYYGYRWVYWAI-UHFFFAOYSA-N 1 0 415.491 -0.446 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1(C)C ZINC000443124869 1070973330 /nfs/dbraw/zinc/97/33/30/1070973330.db2.gz UCLSLAWJPQRLNK-UHFFFAOYSA-N 1 0 401.471 -0.258 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2)c1=O ZINC000443126145 1070973230 /nfs/dbraw/zinc/97/32/30/1070973230.db2.gz YININIAYEVTYLP-UHFFFAOYSA-N 1 0 415.498 -0.348 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000443130691 1070973369 /nfs/dbraw/zinc/97/33/69/1070973369.db2.gz PXZQSBQXMDWUQY-UHFFFAOYSA-N 1 0 412.498 0.536 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000443151311 1070977151 /nfs/dbraw/zinc/97/71/51/1070977151.db2.gz HTABMSNIQOZNPV-AWEZNQCLSA-N 1 0 407.471 -0.624 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000443151312 1070977134 /nfs/dbraw/zinc/97/71/34/1070977134.db2.gz HTABMSNIQOZNPV-CQSZACIVSA-N 1 0 407.471 -0.624 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000443159127 1070975143 /nfs/dbraw/zinc/97/51/43/1070975143.db2.gz ZCDWVJICFICRGB-OAHLLOKOSA-N 1 0 405.542 -0.269 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCC[NH+]1CCC(O)CC1 ZINC000443172680 1070978597 /nfs/dbraw/zinc/97/85/97/1070978597.db2.gz YHCGJOWMOAAXRQ-UHFFFAOYSA-N 1 0 405.542 -0.269 20 0 HBADRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000443177121 1070977022 /nfs/dbraw/zinc/97/70/22/1070977022.db2.gz WUCLQVCNNVVTAW-AWEZNQCLSA-N 1 0 407.514 -0.625 20 0 HBADRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000443177123 1070977336 /nfs/dbraw/zinc/97/73/36/1070977336.db2.gz WUCLQVCNNVVTAW-CQSZACIVSA-N 1 0 407.514 -0.625 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000443193473 1070980892 /nfs/dbraw/zinc/98/08/92/1070980892.db2.gz VLFMUYJLAZZMES-CYBMUJFWSA-N 1 0 412.468 -0.814 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000443193474 1070980917 /nfs/dbraw/zinc/98/09/17/1070980917.db2.gz VLFMUYJLAZZMES-ZDUSSCGKSA-N 1 0 412.468 -0.814 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000443203502 1070982493 /nfs/dbraw/zinc/98/24/93/1070982493.db2.gz WXFOMCPYNVSYKY-AWEZNQCLSA-N 1 0 409.530 -0.331 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000443203506 1070982619 /nfs/dbraw/zinc/98/26/19/1070982619.db2.gz WXFOMCPYNVSYKY-CQSZACIVSA-N 1 0 409.530 -0.331 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000443220437 1070983931 /nfs/dbraw/zinc/98/39/31/1070983931.db2.gz FRPYVHAUSXNXTC-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000443220439 1070984496 /nfs/dbraw/zinc/98/44/96/1070984496.db2.gz FRPYVHAUSXNXTC-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(=O)n(C)c1=O ZINC000443226333 1070984677 /nfs/dbraw/zinc/98/46/77/1070984677.db2.gz MTORRIMPOSQZIB-UHFFFAOYSA-N 1 0 422.507 -0.481 20 0 HBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000443231113 1070985063 /nfs/dbraw/zinc/98/50/63/1070985063.db2.gz IZVJINQRVWGWLO-UHFFFAOYSA-N 1 0 400.453 -0.005 20 0 HBADRO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCS(=O)(=O)CC1 ZINC000443231158 1070985236 /nfs/dbraw/zinc/98/52/36/1070985236.db2.gz JPOLTTJPGMCPKE-UHFFFAOYSA-N 1 0 417.553 -0.292 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000443231754 1070983327 /nfs/dbraw/zinc/98/33/27/1070983327.db2.gz QKPMRHRHVUIWLF-GOSISDBHSA-N 1 0 408.480 -0.029 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000443231755 1070983285 /nfs/dbraw/zinc/98/32/85/1070983285.db2.gz QKPMRHRHVUIWLF-SFHVURJKSA-N 1 0 408.480 -0.029 20 0 HBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000443233621 1070983208 /nfs/dbraw/zinc/98/32/08/1070983208.db2.gz ANXSFRYKLTUBCX-UHFFFAOYSA-N 1 0 400.453 -0.005 20 0 HBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000443234254 1070983721 /nfs/dbraw/zinc/98/37/21/1070983721.db2.gz PDILACJBZVMURG-UHFFFAOYSA-N 1 0 403.526 -0.039 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443235129 1070985948 /nfs/dbraw/zinc/98/59/48/1070985948.db2.gz INOOSONNEHAHHL-INIZCTEOSA-N 1 0 418.608 -0.218 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443235133 1070986174 /nfs/dbraw/zinc/98/61/74/1070986174.db2.gz INOOSONNEHAHHL-MRXNPFEDSA-N 1 0 418.608 -0.218 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443235726 1070986125 /nfs/dbraw/zinc/98/61/25/1070986125.db2.gz KRKLZYUPFPAOSR-INIZCTEOSA-N 1 0 405.542 -0.518 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443235728 1070986022 /nfs/dbraw/zinc/98/60/22/1070986022.db2.gz KRKLZYUPFPAOSR-MRXNPFEDSA-N 1 0 405.542 -0.518 20 0 HBADRO CCN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCNC1=O ZINC000443239235 1070986718 /nfs/dbraw/zinc/98/67/18/1070986718.db2.gz BGOIWNPTSWZPMN-CYBMUJFWSA-N 1 0 403.439 -0.168 20 0 HBADRO CCN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCNC1=O ZINC000443239237 1070986937 /nfs/dbraw/zinc/98/69/37/1070986937.db2.gz BGOIWNPTSWZPMN-ZDUSSCGKSA-N 1 0 403.439 -0.168 20 0 HBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000443239827 1070986855 /nfs/dbraw/zinc/98/68/55/1070986855.db2.gz ZXCZLVXXYZRLFZ-UHFFFAOYSA-N 1 0 403.526 -0.138 20 0 HBADRO CN(CCS(=O)(=O)NCC1(O)CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000443241624 1070986919 /nfs/dbraw/zinc/98/69/19/1070986919.db2.gz TYYHJTFXFAMQEB-UHFFFAOYSA-N 1 0 423.532 -0.178 20 0 HBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000443242180 1070987512 /nfs/dbraw/zinc/98/75/12/1070987512.db2.gz DDINSAIFXGOEHB-UHFFFAOYSA-N 1 0 403.526 -0.138 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443242382 1070987685 /nfs/dbraw/zinc/98/76/85/1070987685.db2.gz VKRYNSHNEYPOTC-HNNXBMFYSA-N 1 0 405.565 -0.133 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443242383 1070987486 /nfs/dbraw/zinc/98/74/86/1070987486.db2.gz VKRYNSHNEYPOTC-OAHLLOKOSA-N 1 0 405.565 -0.133 20 0 HBADRO CCN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H]1CCNC1=O ZINC000443248071 1070989825 /nfs/dbraw/zinc/98/98/25/1070989825.db2.gz MBDQBLCWBRNICB-GOSISDBHSA-N 1 0 417.510 -0.012 20 0 HBADRO CCN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@H]1CCNC1=O ZINC000443248072 1070989930 /nfs/dbraw/zinc/98/99/30/1070989930.db2.gz MBDQBLCWBRNICB-SFHVURJKSA-N 1 0 417.510 -0.012 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000443250496 1070990446 /nfs/dbraw/zinc/99/04/46/1070990446.db2.gz MZKBFIAAFPGBRU-CRAIPNDOSA-N 1 0 417.510 -0.108 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000443250501 1070990574 /nfs/dbraw/zinc/99/05/74/1070990574.db2.gz MZKBFIAAFPGBRU-MAUKXSAKSA-N 1 0 417.510 -0.108 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000443250506 1070990512 /nfs/dbraw/zinc/99/05/12/1070990512.db2.gz MZKBFIAAFPGBRU-QAPCUYQASA-N 1 0 417.510 -0.108 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000443250510 1070990695 /nfs/dbraw/zinc/99/06/95/1070990695.db2.gz MZKBFIAAFPGBRU-YJBOKZPZSA-N 1 0 417.510 -0.108 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC([N@H+](C)CCCO)CC3)cnc21 ZINC000443257748 1070994069 /nfs/dbraw/zinc/99/40/69/1070994069.db2.gz QCRFTDOHNHEXRX-UHFFFAOYSA-N 1 0 411.484 -0.499 20 0 HBADRO Cc1nn(C)c2ncc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cc12 ZINC000443257972 1070994101 /nfs/dbraw/zinc/99/41/01/1070994101.db2.gz RSEBJSMTSSEHAB-UHFFFAOYSA-N 1 0 410.544 -0.055 20 0 HBADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000443258675 1070993296 /nfs/dbraw/zinc/99/32/96/1070993296.db2.gz BKBHEAWRLWFRQD-UHFFFAOYSA-N 1 0 409.516 -0.669 20 0 HBADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1cccc(-n2cnnn2)c1 ZINC000443260927 1070993888 /nfs/dbraw/zinc/99/38/88/1070993888.db2.gz FDMHDJFLICORKJ-UHFFFAOYSA-N 1 0 409.516 -0.669 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cc2C1=O ZINC000443261008 1070994009 /nfs/dbraw/zinc/99/40/09/1070994009.db2.gz JCIPQMWEIORGPW-UHFFFAOYSA-N 1 0 424.523 -0.419 20 0 HBADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443264920 1070995421 /nfs/dbraw/zinc/99/54/21/1070995421.db2.gz RKCZYTMIPHZOPD-UHFFFAOYSA-N 1 0 419.569 -0.242 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443266158 1070996094 /nfs/dbraw/zinc/99/60/94/1070996094.db2.gz TXPZTWUIIVXVJJ-INIZCTEOSA-N 1 0 406.549 -0.762 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443266171 1070996127 /nfs/dbraw/zinc/99/61/27/1070996127.db2.gz TXPZTWUIIVXVJJ-MRXNPFEDSA-N 1 0 406.549 -0.762 20 0 HBADRO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000443266337 1070995446 /nfs/dbraw/zinc/99/54/46/1070995446.db2.gz FNJAFLDHTOPYMC-ABAIWWIYSA-N 1 0 403.439 -0.265 20 0 HBADRO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000443266338 1070995354 /nfs/dbraw/zinc/99/53/54/1070995354.db2.gz FNJAFLDHTOPYMC-IAQYHMDHSA-N 1 0 403.439 -0.265 20 0 HBADRO C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000443266340 1070995458 /nfs/dbraw/zinc/99/54/58/1070995458.db2.gz FNJAFLDHTOPYMC-NHYWBVRUSA-N 1 0 403.439 -0.265 20 0 HBADRO C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000443266342 1070995370 /nfs/dbraw/zinc/99/53/70/1070995370.db2.gz FNJAFLDHTOPYMC-XHDPSFHLSA-N 1 0 403.439 -0.265 20 0 HBADRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1C(N)=O ZINC000443276707 1070999634 /nfs/dbraw/zinc/99/96/34/1070999634.db2.gz ZQKUJVBOTVHADE-UHFFFAOYSA-N 1 0 414.528 -0.538 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000443278433 1071000295 /nfs/dbraw/zinc/00/02/95/1071000295.db2.gz VZUUGLGFYDYFAE-UHFFFAOYSA-N 1 0 423.543 -0.455 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000443278643 1071000121 /nfs/dbraw/zinc/00/01/21/1071000121.db2.gz WIMNRJIIOUEPAF-UHFFFAOYSA-N 1 0 419.569 -0.242 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000443279409 1071000378 /nfs/dbraw/zinc/00/03/78/1071000378.db2.gz YYKKHPGGQHEQOB-UHFFFAOYSA-N 1 0 419.569 -0.242 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1 ZINC000443280054 1071000230 /nfs/dbraw/zinc/00/02/30/1071000230.db2.gz AJKKXFFGUGSYKC-UHFFFAOYSA-N 1 0 423.557 -0.502 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000443284150 1071000765 /nfs/dbraw/zinc/00/07/65/1071000765.db2.gz QSYLYVOBBQQUEP-UHFFFAOYSA-N 1 0 405.542 -0.081 20 0 HBADRO O=C1NCCc2ccc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cc21 ZINC000443287521 1070999688 /nfs/dbraw/zinc/99/96/88/1070999688.db2.gz RGWVWAUNWZFWRK-UHFFFAOYSA-N 1 0 410.540 -0.359 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC1CC[NH+](CCO)CC1 ZINC000443288004 1071002067 /nfs/dbraw/zinc/00/20/67/1071002067.db2.gz ADNHEOXFVIYBOL-UHFFFAOYSA-N 1 0 405.542 -0.411 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000443288294 1071000080 /nfs/dbraw/zinc/00/00/80/1071000080.db2.gz LMMUPJRYSOVKOO-GFCCVEGCSA-N 1 0 411.484 -0.595 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000443288295 1071000435 /nfs/dbraw/zinc/00/04/35/1071000435.db2.gz LMMUPJRYSOVKOO-LBPRGKRZSA-N 1 0 411.484 -0.595 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000443289699 1071002179 /nfs/dbraw/zinc/00/21/79/1071002179.db2.gz NQVXXILNDQLCCE-AWEZNQCLSA-N 1 0 405.542 -0.034 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000443289701 1071001775 /nfs/dbraw/zinc/00/17/75/1071001775.db2.gz NQVXXILNDQLCCE-CQSZACIVSA-N 1 0 405.542 -0.034 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1 ZINC000443290441 1071001918 /nfs/dbraw/zinc/00/19/18/1071001918.db2.gz PGAFRLZMDGRRKM-UHFFFAOYSA-N 1 0 423.557 -0.502 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000443297726 1071002706 /nfs/dbraw/zinc/00/27/06/1071002706.db2.gz SFCCNVFIBFNSAS-INIZCTEOSA-N 1 0 419.569 -0.023 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000443297727 1071002528 /nfs/dbraw/zinc/00/25/28/1071002528.db2.gz SFCCNVFIBFNSAS-MRXNPFEDSA-N 1 0 419.569 -0.023 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cnc21 ZINC000443298209 1071003103 /nfs/dbraw/zinc/00/31/03/1071003103.db2.gz SKABBMBHRVGTST-GFCCVEGCSA-N 1 0 411.484 -0.451 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cnc21 ZINC000443298210 1071003063 /nfs/dbraw/zinc/00/30/63/1071003063.db2.gz SKABBMBHRVGTST-LBPRGKRZSA-N 1 0 411.484 -0.451 20 0 HBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000443298232 1071000681 /nfs/dbraw/zinc/00/06/81/1071000681.db2.gz UHKBTDLMAKGFLD-UHFFFAOYSA-N 1 0 402.517 -0.188 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000443301414 1071004985 /nfs/dbraw/zinc/00/49/85/1071004985.db2.gz CASOTKAPUYIFOE-FQEVSTJZSA-N 1 0 421.498 -0.234 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000443301417 1071005069 /nfs/dbraw/zinc/00/50/69/1071005069.db2.gz CASOTKAPUYIFOE-HXUWFJFHSA-N 1 0 421.498 -0.234 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000443301884 1071003358 /nfs/dbraw/zinc/00/33/58/1071003358.db2.gz XCPUGWIYPCAQHT-FQEVSTJZSA-N 1 0 419.482 -0.480 20 0 HBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000443301887 1071004061 /nfs/dbraw/zinc/00/40/61/1071004061.db2.gz XCPUGWIYPCAQHT-HXUWFJFHSA-N 1 0 419.482 -0.480 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000443302820 1071003775 /nfs/dbraw/zinc/00/37/75/1071003775.db2.gz QBIJPQGPTBKXQB-AWEZNQCLSA-N 1 0 405.542 -0.034 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000443302821 1071003967 /nfs/dbraw/zinc/00/39/67/1071003967.db2.gz QBIJPQGPTBKXQB-CQSZACIVSA-N 1 0 405.542 -0.034 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000443303186 1071003694 /nfs/dbraw/zinc/00/36/94/1071003694.db2.gz BHBCRUGTBYJQGB-UHFFFAOYSA-N 1 0 405.542 -0.081 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1 ZINC000443306848 1071004330 /nfs/dbraw/zinc/00/43/30/1071004330.db2.gz YALLTJOQOFDFJN-UHFFFAOYSA-N 1 0 409.530 -0.844 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1 ZINC000443307847 1071004508 /nfs/dbraw/zinc/00/45/08/1071004508.db2.gz PEMLFPDCPBCYRH-UHFFFAOYSA-N 1 0 409.530 -0.844 20 0 HBADRO Cn1c2ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc2n(C)c1=O ZINC000443312201 1071004631 /nfs/dbraw/zinc/00/46/31/1071004631.db2.gz ZRXZOAUQICREST-UHFFFAOYSA-N 1 0 400.501 -0.562 20 0 HBADRO CC[C@@H](CO)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000443315917 1071004868 /nfs/dbraw/zinc/00/48/68/1071004868.db2.gz VGUNZBIZFLIXOF-HNNXBMFYSA-N 1 0 405.542 -0.317 20 0 HBADRO CC[C@H](CO)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000443315919 1071004814 /nfs/dbraw/zinc/00/48/14/1071004814.db2.gz VGUNZBIZFLIXOF-OAHLLOKOSA-N 1 0 405.542 -0.317 20 0 HBADRO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000443325776 1071007197 /nfs/dbraw/zinc/00/71/97/1071007197.db2.gz YMCBEYRNZXDSRI-INIZCTEOSA-N 1 0 416.482 -0.081 20 0 HBADRO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000443325777 1071006835 /nfs/dbraw/zinc/00/68/35/1071006835.db2.gz YMCBEYRNZXDSRI-MRXNPFEDSA-N 1 0 416.482 -0.081 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H](C)CO ZINC000443331128 1071005818 /nfs/dbraw/zinc/00/58/18/1071005818.db2.gz LESRYJKMPUVHNQ-BXWFABGCSA-N 1 0 421.494 -0.439 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H](C)O ZINC000443331129 1071005336 /nfs/dbraw/zinc/00/53/36/1071005336.db2.gz LESRYJKMPUVHNQ-GJYPPUQNSA-N 1 0 421.494 -0.439 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@H](C)O ZINC000443331131 1071005872 /nfs/dbraw/zinc/00/58/72/1071005872.db2.gz LESRYJKMPUVHNQ-JTDSTZFVSA-N 1 0 421.494 -0.439 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H](C)CO ZINC000443331132 1071005719 /nfs/dbraw/zinc/00/57/19/1071005719.db2.gz LESRYJKMPUVHNQ-TXPKVOOTSA-N 1 0 421.494 -0.439 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C[C@H](C)O ZINC000443331746 1071005523 /nfs/dbraw/zinc/00/55/23/1071005523.db2.gz GGATUOOXLLTVCI-CABCVRRESA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443331755 1071005469 /nfs/dbraw/zinc/00/54/69/1071005469.db2.gz GGATUOOXLLTVCI-GJZGRUSLSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H](C)CO ZINC000443331757 1071005594 /nfs/dbraw/zinc/00/55/94/1071005594.db2.gz GGATUOOXLLTVCI-HUUCEWRRSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443331760 1071005281 /nfs/dbraw/zinc/00/52/81/1071005281.db2.gz GGATUOOXLLTVCI-LSDHHAIUSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@H](C)O ZINC000443333253 1071009131 /nfs/dbraw/zinc/00/91/31/1071009131.db2.gz ZLMNNQWQLQGQPL-CABCVRRESA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H](C)CO ZINC000443333255 1071009502 /nfs/dbraw/zinc/00/95/02/1071009502.db2.gz ZLMNNQWQLQGQPL-GJZGRUSLSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H](C)CO ZINC000443333256 1071009289 /nfs/dbraw/zinc/00/92/89/1071009289.db2.gz ZLMNNQWQLQGQPL-HUUCEWRRSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H](C)CO ZINC000443333258 1071009579 /nfs/dbraw/zinc/00/95/79/1071009579.db2.gz ZLMNNQWQLQGQPL-LSDHHAIUSA-N 1 0 417.503 -0.278 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000443338963 1071009799 /nfs/dbraw/zinc/00/97/99/1071009799.db2.gz BKZSYTOOCKKHJD-CHWSQXEVSA-N 1 0 418.516 -0.812 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000443338964 1071009859 /nfs/dbraw/zinc/00/98/59/1071009859.db2.gz BKZSYTOOCKKHJD-OLZOCXBDSA-N 1 0 418.516 -0.812 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000443338965 1071010119 /nfs/dbraw/zinc/01/01/19/1071010119.db2.gz BKZSYTOOCKKHJD-QWHCGFSZSA-N 1 0 418.516 -0.812 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000443338966 1071010426 /nfs/dbraw/zinc/01/04/26/1071010426.db2.gz BKZSYTOOCKKHJD-STQMWFEESA-N 1 0 418.516 -0.812 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@H](C)O ZINC000443341573 1071009917 /nfs/dbraw/zinc/00/99/17/1071009917.db2.gz CQHAKRQZSZJDMV-CABCVRRESA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H](C)CO ZINC000443341574 1071009705 /nfs/dbraw/zinc/00/97/05/1071009705.db2.gz CQHAKRQZSZJDMV-GJZGRUSLSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H](C)CO ZINC000443341575 1071010176 /nfs/dbraw/zinc/01/01/76/1071010176.db2.gz CQHAKRQZSZJDMV-HUUCEWRRSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H](C)CO ZINC000443341576 1071010540 /nfs/dbraw/zinc/01/05/40/1071010540.db2.gz CQHAKRQZSZJDMV-LSDHHAIUSA-N 1 0 417.503 -0.278 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H](C)CO ZINC000443345023 1071007880 /nfs/dbraw/zinc/00/78/80/1071007880.db2.gz JNASICMVTNWPGI-DLBZAZTESA-N 1 0 413.540 -0.276 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H](C)CO ZINC000443345024 1071007924 /nfs/dbraw/zinc/00/79/24/1071007924.db2.gz JNASICMVTNWPGI-IAGOWNOFSA-N 1 0 413.540 -0.276 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H](C)CO ZINC000443345025 1071007473 /nfs/dbraw/zinc/00/74/73/1071007473.db2.gz JNASICMVTNWPGI-IRXDYDNUSA-N 1 0 413.540 -0.276 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[C@H](C)O ZINC000443345026 1071007693 /nfs/dbraw/zinc/00/76/93/1071007693.db2.gz JNASICMVTNWPGI-SJORKVTESA-N 1 0 413.540 -0.276 20 0 HBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C[C@H](C)O ZINC000443346036 1071008639 /nfs/dbraw/zinc/00/86/39/1071008639.db2.gz UGQDELCDRWKPTA-CVEARBPZSA-N 1 0 410.490 -0.028 20 0 HBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443346037 1071008370 /nfs/dbraw/zinc/00/83/70/1071008370.db2.gz UGQDELCDRWKPTA-HOTGVXAUSA-N 1 0 410.490 -0.028 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@H](C)CO ZINC000443346038 1071008566 /nfs/dbraw/zinc/00/85/66/1071008566.db2.gz UGQDELCDRWKPTA-HZPDHXFCSA-N 1 0 410.490 -0.028 20 0 HBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443346039 1071008196 /nfs/dbraw/zinc/00/81/96/1071008196.db2.gz UGQDELCDRWKPTA-JKSUJKDBSA-N 1 0 410.490 -0.028 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000443369608 1071012049 /nfs/dbraw/zinc/01/20/49/1071012049.db2.gz ZHLOHXNTPDTYAQ-GXTWGEPZSA-N 1 0 416.482 -0.098 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000443369609 1071012267 /nfs/dbraw/zinc/01/22/67/1071012267.db2.gz ZHLOHXNTPDTYAQ-JSGCOSHPSA-N 1 0 416.482 -0.098 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000443369610 1071012307 /nfs/dbraw/zinc/01/23/07/1071012307.db2.gz ZHLOHXNTPDTYAQ-OCCSQVGLSA-N 1 0 416.482 -0.098 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000443369611 1071011992 /nfs/dbraw/zinc/01/19/92/1071011992.db2.gz ZHLOHXNTPDTYAQ-TZMCWYRMSA-N 1 0 416.482 -0.098 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000443426241 1071018725 /nfs/dbraw/zinc/01/87/25/1071018725.db2.gz FVIJGQGOOKJMAG-INIZCTEOSA-N 1 0 411.528 -0.060 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000443426242 1071018585 /nfs/dbraw/zinc/01/85/85/1071018585.db2.gz FVIJGQGOOKJMAG-MRXNPFEDSA-N 1 0 411.528 -0.060 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000443433010 1071017808 /nfs/dbraw/zinc/01/78/08/1071017808.db2.gz UMOFXXVFBGPBKG-INIZCTEOSA-N 1 0 411.528 -0.060 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000443433011 1071018305 /nfs/dbraw/zinc/01/83/05/1071018305.db2.gz UMOFXXVFBGPBKG-MRXNPFEDSA-N 1 0 411.528 -0.060 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443434121 1071017890 /nfs/dbraw/zinc/01/78/90/1071017890.db2.gz WQZVJXNRQBENQH-HNNXBMFYSA-N 1 0 411.532 -0.549 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443434122 1071017751 /nfs/dbraw/zinc/01/77/51/1071017751.db2.gz WQZVJXNRQBENQH-OAHLLOKOSA-N 1 0 411.532 -0.549 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)CC2)CC1 ZINC000443435739 1071017831 /nfs/dbraw/zinc/01/78/31/1071017831.db2.gz YTCBWAUFHWRSHP-UHFFFAOYSA-N 1 0 416.592 -0.839 20 0 HBADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443437660 1071019012 /nfs/dbraw/zinc/01/90/12/1071019012.db2.gz PEYGHIZBJGUGBM-UHFFFAOYSA-N 1 0 413.544 -0.257 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000443442535 1071019312 /nfs/dbraw/zinc/01/93/12/1071019312.db2.gz YZBNOWPKGGGFSX-INIZCTEOSA-N 1 0 415.560 -0.074 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000443442541 1071019534 /nfs/dbraw/zinc/01/95/34/1071019534.db2.gz YZBNOWPKGGGFSX-MRXNPFEDSA-N 1 0 415.560 -0.074 20 0 HBADRO C[NH+](C)C1(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1 ZINC000443462623 1071024028 /nfs/dbraw/zinc/02/40/28/1071024028.db2.gz ANBWNHRKUKRBFE-UHFFFAOYSA-N 1 0 416.569 -0.503 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000443465417 1071026102 /nfs/dbraw/zinc/02/61/02/1071026102.db2.gz HIZYHAURDFACJM-UHFFFAOYSA-N 1 0 424.589 -0.615 20 0 HBADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000443470798 1071059627 /nfs/dbraw/zinc/05/96/27/1071059627.db2.gz CYRKOKDDQWGMEI-UHFFFAOYSA-N 1 0 420.557 -0.461 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443470815 1071059493 /nfs/dbraw/zinc/05/94/93/1071059493.db2.gz DDCAVTZIOXTLPB-HNNXBMFYSA-N 1 0 412.578 -0.759 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443470816 1071059390 /nfs/dbraw/zinc/05/93/90/1071059390.db2.gz DDCAVTZIOXTLPB-OAHLLOKOSA-N 1 0 412.578 -0.759 20 0 HBADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443472428 1071063230 /nfs/dbraw/zinc/06/32/30/1071063230.db2.gz FJICGELWXJGFSG-UHFFFAOYSA-N 1 0 400.567 -0.901 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000443472433 1071063015 /nfs/dbraw/zinc/06/30/15/1071063015.db2.gz FMJDLEXAGBULHG-UHFFFAOYSA-N 1 0 410.562 -0.957 20 0 HBADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443472588 1071062430 /nfs/dbraw/zinc/06/24/30/1071062430.db2.gz CIGDNEKMOMKVBP-UHFFFAOYSA-N 1 0 420.557 -0.461 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000443472618 1071062447 /nfs/dbraw/zinc/06/24/47/1071062447.db2.gz DUBLTNZJIIJGGY-UHFFFAOYSA-N 1 0 424.589 -0.757 20 0 HBADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443472850 1071062713 /nfs/dbraw/zinc/06/27/13/1071062713.db2.gz GKTBUIGUTUGUTL-UHFFFAOYSA-N 1 0 405.546 -0.733 20 0 HBADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000443476128 1071065557 /nfs/dbraw/zinc/06/55/57/1071065557.db2.gz NBKFFOVPYGBKIW-UHFFFAOYSA-N 1 0 419.529 -0.966 20 0 HBADRO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000443476329 1071065331 /nfs/dbraw/zinc/06/53/31/1071065331.db2.gz STVMAKOUGVSCPL-HNNXBMFYSA-N 1 0 404.558 -0.082 20 0 HBADRO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000443476330 1071065288 /nfs/dbraw/zinc/06/52/88/1071065288.db2.gz STVMAKOUGVSCPL-OAHLLOKOSA-N 1 0 404.558 -0.082 20 0 HBADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000443477301 1071066035 /nfs/dbraw/zinc/06/60/35/1071066035.db2.gz WCLPUAITMGQNMA-UHFFFAOYSA-N 1 0 420.557 -0.461 20 0 HBADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443480215 1071067414 /nfs/dbraw/zinc/06/74/14/1071067414.db2.gz AVTCGRHVNPAXJU-UHFFFAOYSA-N 1 0 412.578 -0.713 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000443482742 1071067891 /nfs/dbraw/zinc/06/78/91/1071067891.db2.gz IWBLMSZZJZXMDR-UHFFFAOYSA-N 1 0 413.544 -0.257 20 0 HBADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443484497 1071064272 /nfs/dbraw/zinc/06/42/72/1071064272.db2.gz NDPNDUYQGDZMDZ-UHFFFAOYSA-N 1 0 410.587 -0.066 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000443489881 1071069628 /nfs/dbraw/zinc/06/96/28/1071069628.db2.gz VBCRAILKBYZNEY-UHFFFAOYSA-N 1 0 413.544 -0.257 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000443494520 1071070740 /nfs/dbraw/zinc/07/07/40/1071070740.db2.gz WGXITPFAPKXJIQ-CVEARBPZSA-N 1 0 424.589 -0.834 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000443494524 1071071721 /nfs/dbraw/zinc/07/17/21/1071071721.db2.gz WGXITPFAPKXJIQ-HOTGVXAUSA-N 1 0 424.589 -0.834 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000443494526 1071071338 /nfs/dbraw/zinc/07/13/38/1071071338.db2.gz WGXITPFAPKXJIQ-HZPDHXFCSA-N 1 0 424.589 -0.834 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000443494528 1071071575 /nfs/dbraw/zinc/07/15/75/1071071575.db2.gz WGXITPFAPKXJIQ-JKSUJKDBSA-N 1 0 424.589 -0.834 20 0 HBADRO NS(=O)(=O)CCN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000443501417 1071071551 /nfs/dbraw/zinc/07/15/51/1071071551.db2.gz PEYTUIHHAOVZSY-UHFFFAOYSA-N 1 0 410.544 -0.338 20 0 HBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000443502588 1071073521 /nfs/dbraw/zinc/07/35/21/1071073521.db2.gz RCLINDLVEORJLF-KBPBESRZSA-N 1 0 400.501 -0.870 20 0 HBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000443502591 1071073446 /nfs/dbraw/zinc/07/34/46/1071073446.db2.gz RCLINDLVEORJLF-KGLIPLIRSA-N 1 0 400.501 -0.870 20 0 HBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000443502594 1071073290 /nfs/dbraw/zinc/07/32/90/1071073290.db2.gz RCLINDLVEORJLF-UONOGXRCSA-N 1 0 400.501 -0.870 20 0 HBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000443502596 1071073413 /nfs/dbraw/zinc/07/34/13/1071073413.db2.gz RCLINDLVEORJLF-ZIAGYGMSSA-N 1 0 400.501 -0.870 20 0 HBADRO NS(=O)(=O)CCN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000443502624 1071072940 /nfs/dbraw/zinc/07/29/40/1071072940.db2.gz PPSJWDIGQUZVJQ-UHFFFAOYSA-N 1 0 410.544 -0.338 20 0 HBADRO C[C@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)NC(=O)NC1=O ZINC000443504369 1071073557 /nfs/dbraw/zinc/07/35/57/1071073557.db2.gz WGPBYWZPKRHPIE-BFUOFWGJSA-N 1 0 408.503 -0.407 20 0 HBADRO C[C@@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)NC(=O)NC1=O ZINC000443504371 1071073205 /nfs/dbraw/zinc/07/32/05/1071073205.db2.gz WGPBYWZPKRHPIE-DJJJIMSYSA-N 1 0 408.503 -0.407 20 0 HBADRO C[C@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)NC(=O)NC1=O ZINC000443504374 1071074010 /nfs/dbraw/zinc/07/40/10/1071074010.db2.gz WGPBYWZPKRHPIE-ORAYPTAESA-N 1 0 408.503 -0.407 20 0 HBADRO C[C@@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)NC(=O)NC1=O ZINC000443504376 1071073990 /nfs/dbraw/zinc/07/39/90/1071073990.db2.gz WGPBYWZPKRHPIE-YJYMSZOUSA-N 1 0 408.503 -0.407 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000443508956 1071073938 /nfs/dbraw/zinc/07/39/38/1071073938.db2.gz LSJJZGHXFAFBFM-UHFFFAOYSA-N 1 0 411.484 -0.452 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@@H](C)C1 ZINC000443516332 1071075004 /nfs/dbraw/zinc/07/50/04/1071075004.db2.gz BGHRKUOUVMNJKS-DLBZAZTESA-N 1 0 419.592 -0.261 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@H](C)C1 ZINC000443516333 1071075146 /nfs/dbraw/zinc/07/51/46/1071075146.db2.gz BGHRKUOUVMNJKS-IAGOWNOFSA-N 1 0 419.592 -0.261 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@@H](C)C1 ZINC000443516334 1071075212 /nfs/dbraw/zinc/07/52/12/1071075212.db2.gz BGHRKUOUVMNJKS-IRXDYDNUSA-N 1 0 419.592 -0.261 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@H](C)C1 ZINC000443516336 1071075057 /nfs/dbraw/zinc/07/50/57/1071075057.db2.gz BGHRKUOUVMNJKS-SJORKVTESA-N 1 0 419.592 -0.261 20 0 HBADRO C[NH+](C)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000443517406 1071076381 /nfs/dbraw/zinc/07/63/81/1071076381.db2.gz PJBALNIAAFXZNW-INIZCTEOSA-N 1 0 404.558 -0.429 20 0 HBADRO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000443517407 1071076128 /nfs/dbraw/zinc/07/61/28/1071076128.db2.gz PJBALNIAAFXZNW-MRXNPFEDSA-N 1 0 404.558 -0.429 20 0 HBADRO NS(=O)(=O)CCN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000443523664 1071077070 /nfs/dbraw/zinc/07/70/70/1071077070.db2.gz SUGHZJMBQYCSKV-UHFFFAOYSA-N 1 0 403.549 -0.753 20 0 HBADRO C[N@H+](CCNC(=O)N1CCN(CCS(N)(=O)=O)CC1)Cc1ccc(F)cc1 ZINC000443529549 1071078014 /nfs/dbraw/zinc/07/80/14/1071078014.db2.gz NBVIPIKUFLFYBW-UHFFFAOYSA-N 1 0 401.508 -0.127 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000443530212 1071078981 /nfs/dbraw/zinc/07/89/81/1071078981.db2.gz NPBMPFDRDGGCHB-INIZCTEOSA-N 1 0 402.542 -0.328 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000443530214 1071078756 /nfs/dbraw/zinc/07/87/56/1071078756.db2.gz NPBMPFDRDGGCHB-MRXNPFEDSA-N 1 0 402.542 -0.328 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)Cc2ccccc2C1 ZINC000443533019 1071078409 /nfs/dbraw/zinc/07/84/09/1071078409.db2.gz TVHHPTCRZVIOMK-UHFFFAOYSA-N 1 0 409.556 -0.299 20 0 HBADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443533426 1071077646 /nfs/dbraw/zinc/07/76/46/1071077646.db2.gz QQOQDXIMMYMNIF-UHFFFAOYSA-N 1 0 404.558 -0.128 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000443596641 1071088592 /nfs/dbraw/zinc/08/85/92/1071088592.db2.gz XYHKLSQULJFZGK-INIZCTEOSA-N 1 0 406.512 -0.004 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000443596643 1071088748 /nfs/dbraw/zinc/08/87/48/1071088748.db2.gz XYHKLSQULJFZGK-MRXNPFEDSA-N 1 0 406.512 -0.004 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000443631658 1071091841 /nfs/dbraw/zinc/09/18/41/1071091841.db2.gz MOQCUHIJVVTYKN-FOIQADDNSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000443631659 1071092019 /nfs/dbraw/zinc/09/20/19/1071092019.db2.gz MOQCUHIJVVTYKN-MGPUTAFESA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000443631660 1071091904 /nfs/dbraw/zinc/09/19/04/1071091904.db2.gz MOQCUHIJVVTYKN-QRWLVFNGSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000443631661 1071092064 /nfs/dbraw/zinc/09/20/64/1071092064.db2.gz MOQCUHIJVVTYKN-YWZLYKJASA-N 1 0 422.530 -0.051 20 0 HBADRO CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639707 1071094141 /nfs/dbraw/zinc/09/41/41/1071094141.db2.gz HGQXLFBVERVOGZ-AWEZNQCLSA-N 1 0 404.533 -0.711 20 0 HBADRO CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639709 1071094062 /nfs/dbraw/zinc/09/40/62/1071094062.db2.gz HGQXLFBVERVOGZ-CQSZACIVSA-N 1 0 404.533 -0.711 20 0 HBADRO COCCN(C(=O)CN(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000443642096 1071094021 /nfs/dbraw/zinc/09/40/21/1071094021.db2.gz RDWYCFCTFLGNIJ-KRWDZBQOSA-N 1 0 419.588 -0.061 20 0 HBADRO COCCN(C(=O)CN(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000443642097 1071094302 /nfs/dbraw/zinc/09/43/02/1071094302.db2.gz RDWYCFCTFLGNIJ-QGZVFWFLSA-N 1 0 419.588 -0.061 20 0 HBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000443664595 1071097633 /nfs/dbraw/zinc/09/76/33/1071097633.db2.gz MFFNUIXRWWDZKT-GASCZTMLSA-N 1 0 420.514 -0.171 20 0 HBADRO C[C@H]1C[NH+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000443664596 1071097582 /nfs/dbraw/zinc/09/75/82/1071097582.db2.gz MFFNUIXRWWDZKT-GJZGRUSLSA-N 1 0 420.514 -0.171 20 0 HBADRO C[C@@H]1C[NH+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 ZINC000443664597 1071097180 /nfs/dbraw/zinc/09/71/80/1071097180.db2.gz MFFNUIXRWWDZKT-HUUCEWRRSA-N 1 0 420.514 -0.171 20 0 HBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000443676468 1071100723 /nfs/dbraw/zinc/10/07/23/1071100723.db2.gz TVBVAPMTMFLWFI-BETUJISGSA-N 1 0 416.500 -0.338 20 0 HBADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H](C)O1 ZINC000443676469 1071100677 /nfs/dbraw/zinc/10/06/77/1071100677.db2.gz TVBVAPMTMFLWFI-CHWSQXEVSA-N 1 0 416.500 -0.338 20 0 HBADRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000443676470 1071100660 /nfs/dbraw/zinc/10/06/60/1071100660.db2.gz TVBVAPMTMFLWFI-STQMWFEESA-N 1 0 416.500 -0.338 20 0 HBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H](C)O1 ZINC000443678687 1071101975 /nfs/dbraw/zinc/10/19/75/1071101975.db2.gz XKNYBNJWZOECMG-BETUJISGSA-N 1 0 415.516 -0.603 20 0 HBADRO C[C@@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@@H](C)O1 ZINC000443678688 1071102144 /nfs/dbraw/zinc/10/21/44/1071102144.db2.gz XKNYBNJWZOECMG-CHWSQXEVSA-N 1 0 415.516 -0.603 20 0 HBADRO C[C@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H](C)O1 ZINC000443678689 1071102112 /nfs/dbraw/zinc/10/21/12/1071102112.db2.gz XKNYBNJWZOECMG-STQMWFEESA-N 1 0 415.516 -0.603 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000443680733 1071102045 /nfs/dbraw/zinc/10/20/45/1071102045.db2.gz IJUDCRUMKUHXOV-UHFFFAOYSA-N 1 0 412.512 -0.037 20 0 HBADRO C[C@H]1C[NH+](CCCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000443685037 1071102776 /nfs/dbraw/zinc/10/27/76/1071102776.db2.gz UNNVIVMHINYYAB-KBPBESRZSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000443685038 1071102705 /nfs/dbraw/zinc/10/27/05/1071102705.db2.gz UNNVIVMHINYYAB-OKILXGFUSA-N 1 0 406.487 -0.561 20 0 HBADRO C[C@@H]1C[NH+](CCCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 ZINC000443685039 1071102819 /nfs/dbraw/zinc/10/28/19/1071102819.db2.gz UNNVIVMHINYYAB-ZIAGYGMSSA-N 1 0 406.487 -0.561 20 0 HBADRO CN(CCS(=O)(=O)NC[C@](C)(O)C[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000443718373 1071112405 /nfs/dbraw/zinc/11/24/05/1071112405.db2.gz MJSAAAZDBJQVBU-HNNXBMFYSA-N 1 0 411.521 -0.322 20 0 HBADRO CN(CCS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000443718374 1071112387 /nfs/dbraw/zinc/11/23/87/1071112387.db2.gz MJSAAAZDBJQVBU-OAHLLOKOSA-N 1 0 411.521 -0.322 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000443737064 1071128287 /nfs/dbraw/zinc/12/82/87/1071128287.db2.gz ZZFDBXZQILNCJE-INIZCTEOSA-N 1 0 421.541 -0.702 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000443737065 1071128161 /nfs/dbraw/zinc/12/81/61/1071128161.db2.gz ZZFDBXZQILNCJE-MRXNPFEDSA-N 1 0 421.541 -0.702 20 0 HBADRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000443740000 1071129648 /nfs/dbraw/zinc/12/96/48/1071129648.db2.gz SORWYOOLHYTRKR-DLBZAZTESA-N 1 0 414.484 -0.659 20 0 HBADRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000443740001 1071129828 /nfs/dbraw/zinc/12/98/28/1071129828.db2.gz SORWYOOLHYTRKR-IAGOWNOFSA-N 1 0 414.484 -0.659 20 0 HBADRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000443740002 1071129794 /nfs/dbraw/zinc/12/97/94/1071129794.db2.gz SORWYOOLHYTRKR-IRXDYDNUSA-N 1 0 414.484 -0.659 20 0 HBADRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000443740003 1071129605 /nfs/dbraw/zinc/12/96/05/1071129605.db2.gz SORWYOOLHYTRKR-SJORKVTESA-N 1 0 414.484 -0.659 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000443763879 1071150058 /nfs/dbraw/zinc/15/00/58/1071150058.db2.gz JPDGGDWBYGVCQQ-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000443764834 1071149199 /nfs/dbraw/zinc/14/91/99/1071149199.db2.gz OQSLYDZQPSJBDF-UHFFFAOYSA-N 1 0 423.539 -0.178 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([C@@H]3CCCO3)CC2)cn1 ZINC000443766350 1071151530 /nfs/dbraw/zinc/15/15/30/1071151530.db2.gz WTTVHJKHLUZTAA-KRWDZBQOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([C@H]3CCCO3)CC2)cn1 ZINC000443766351 1071151721 /nfs/dbraw/zinc/15/17/21/1071151721.db2.gz WTTVHJKHLUZTAA-QGZVFWFLSA-N 1 0 420.514 -0.083 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000443770831 1071154159 /nfs/dbraw/zinc/15/41/59/1071154159.db2.gz KXWWPIVSMYNODW-UHFFFAOYSA-N 1 0 412.512 -0.037 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)c(C)c2)CC1 ZINC000443772341 1071154871 /nfs/dbraw/zinc/15/48/71/1071154871.db2.gz NLASAPDLDPMSEU-UHFFFAOYSA-N 1 0 411.528 -0.259 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000443777896 1071159211 /nfs/dbraw/zinc/15/92/11/1071159211.db2.gz ZLEQLTOUNAJEAN-UHFFFAOYSA-N 1 0 414.553 -0.118 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000443782730 1071164516 /nfs/dbraw/zinc/16/45/16/1071164516.db2.gz SGJYLNVMRKJTMH-UHFFFAOYSA-N 1 0 406.892 -0.116 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)cc2)CC1 ZINC000443784036 1071164435 /nfs/dbraw/zinc/16/44/35/1071164435.db2.gz YTFASALTOBNJRD-UHFFFAOYSA-N 1 0 411.528 -0.572 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000443786776 1071170039 /nfs/dbraw/zinc/17/00/39/1071170039.db2.gz ZZJZNLYDLUDKRA-UHFFFAOYSA-N 1 0 400.526 -0.161 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443800790 1071172331 /nfs/dbraw/zinc/17/23/31/1071172331.db2.gz FQIVOMNWVPHBLM-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443800791 1071172416 /nfs/dbraw/zinc/17/24/16/1071172416.db2.gz FQIVOMNWVPHBLM-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(C)(C)OC(C)(C)C2)cn1 ZINC000443801278 1071173059 /nfs/dbraw/zinc/17/30/59/1071173059.db2.gz GMXGEKBICZJKPJ-UHFFFAOYSA-N 1 0 408.503 -0.085 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c[nH]1 ZINC000443804784 1071173634 /nfs/dbraw/zinc/17/36/34/1071173634.db2.gz LUSSMQJQHUOSKF-CYBMUJFWSA-N 1 0 413.500 -0.895 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c[nH]1 ZINC000443804785 1071173881 /nfs/dbraw/zinc/17/38/81/1071173881.db2.gz LUSSMQJQHUOSKF-ZDUSSCGKSA-N 1 0 413.500 -0.895 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443805580 1071173608 /nfs/dbraw/zinc/17/36/08/1071173608.db2.gz SVNSOVBQQGIDAP-BRWVUGGUSA-N 1 0 413.540 -0.265 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443805582 1071173933 /nfs/dbraw/zinc/17/39/33/1071173933.db2.gz SVNSOVBQQGIDAP-IKGGRYGDSA-N 1 0 413.540 -0.265 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443805584 1071173800 /nfs/dbraw/zinc/17/38/00/1071173800.db2.gz SVNSOVBQQGIDAP-IXDOHACOSA-N 1 0 413.540 -0.265 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443805586 1071173829 /nfs/dbraw/zinc/17/38/29/1071173829.db2.gz SVNSOVBQQGIDAP-ZACQAIPSSA-N 1 0 413.540 -0.265 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000443806532 1071174514 /nfs/dbraw/zinc/17/45/14/1071174514.db2.gz GDCVKNWYWDQHQG-HNNXBMFYSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000443806537 1071174604 /nfs/dbraw/zinc/17/46/04/1071174604.db2.gz GDCVKNWYWDQHQG-OAHLLOKOSA-N 1 0 401.467 -0.041 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443811480 1071175397 /nfs/dbraw/zinc/17/53/97/1071175397.db2.gz PAHBJUFZOJPPJK-MOPGFXCFSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443811481 1071175308 /nfs/dbraw/zinc/17/53/08/1071175308.db2.gz PAHBJUFZOJPPJK-OALUTQOASA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443811482 1071175225 /nfs/dbraw/zinc/17/52/25/1071175225.db2.gz PAHBJUFZOJPPJK-RBUKOAKNSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443811483 1071175344 /nfs/dbraw/zinc/17/53/44/1071175344.db2.gz PAHBJUFZOJPPJK-RTBURBONSA-N 1 0 408.543 -0.120 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H](C)CO ZINC000443818660 1071178620 /nfs/dbraw/zinc/17/86/20/1071178620.db2.gz YKFVNFRTRQDVRM-CHWSQXEVSA-N 1 0 408.455 -0.315 20 0 HBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000443818661 1071178517 /nfs/dbraw/zinc/17/85/17/1071178517.db2.gz YKFVNFRTRQDVRM-OLZOCXBDSA-N 1 0 408.455 -0.315 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H](C)CO ZINC000443818662 1071178550 /nfs/dbraw/zinc/17/85/50/1071178550.db2.gz YKFVNFRTRQDVRM-QWHCGFSZSA-N 1 0 408.455 -0.315 20 0 HBADRO C[C@H](O)CN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H](C)CO ZINC000443818663 1071178658 /nfs/dbraw/zinc/17/86/58/1071178658.db2.gz YKFVNFRTRQDVRM-STQMWFEESA-N 1 0 408.455 -0.315 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H](C)CO ZINC000443835412 1071180850 /nfs/dbraw/zinc/18/08/50/1071180850.db2.gz BOINXZATLWEZKQ-DLBZAZTESA-N 1 0 422.526 -0.159 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@H](C)CO ZINC000443835413 1071180895 /nfs/dbraw/zinc/18/08/95/1071180895.db2.gz BOINXZATLWEZKQ-IAGOWNOFSA-N 1 0 422.526 -0.159 20 0 HBADRO C[C@H](O)CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H](C)CO ZINC000443835414 1071180950 /nfs/dbraw/zinc/18/09/50/1071180950.db2.gz BOINXZATLWEZKQ-IRXDYDNUSA-N 1 0 422.526 -0.159 20 0 HBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000443835415 1071180779 /nfs/dbraw/zinc/18/07/79/1071180779.db2.gz BOINXZATLWEZKQ-SJORKVTESA-N 1 0 422.526 -0.159 20 0 HBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000443837275 1071183738 /nfs/dbraw/zinc/18/37/38/1071183738.db2.gz QXWSOMDTQISFQE-CVEARBPZSA-N 1 0 420.510 -0.007 20 0 HBADRO C[C@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[C@@H](C)CO ZINC000443837276 1071183806 /nfs/dbraw/zinc/18/38/06/1071183806.db2.gz QXWSOMDTQISFQE-HOTGVXAUSA-N 1 0 420.510 -0.007 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[C@H](C)CO ZINC000443837277 1071183860 /nfs/dbraw/zinc/18/38/60/1071183860.db2.gz QXWSOMDTQISFQE-HZPDHXFCSA-N 1 0 420.510 -0.007 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[C@@H](C)CO ZINC000443837278 1071183696 /nfs/dbraw/zinc/18/36/96/1071183696.db2.gz QXWSOMDTQISFQE-JKSUJKDBSA-N 1 0 420.510 -0.007 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443839762 1069558753 /nfs/dbraw/zinc/55/87/53/1069558753.db2.gz IBFWEHFJXSLCKS-BBRMVZONSA-N 1 0 401.471 0.079 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443839763 1069558667 /nfs/dbraw/zinc/55/86/67/1069558667.db2.gz IBFWEHFJXSLCKS-CJNGLKHVSA-N 1 0 401.471 0.079 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443839764 1071184802 /nfs/dbraw/zinc/18/48/02/1071184802.db2.gz IBFWEHFJXSLCKS-CZUORRHYSA-N 1 0 401.471 0.079 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443839765 1069558814 /nfs/dbraw/zinc/55/88/14/1069558814.db2.gz IBFWEHFJXSLCKS-XJKSGUPXSA-N 1 0 401.471 0.079 20 0 HBADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[NH+](C)C ZINC000443841929 1071184608 /nfs/dbraw/zinc/18/46/08/1071184608.db2.gz LMPZUNMZUXGEMQ-PBHICJAKSA-N 1 0 415.498 0.421 20 0 HBADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[NH+](C)C ZINC000443841930 1069633937 /nfs/dbraw/zinc/63/39/37/1069633937.db2.gz LMPZUNMZUXGEMQ-RHSMWYFYSA-N 1 0 415.498 0.421 20 0 HBADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[NH+](C)C ZINC000443841931 1071184770 /nfs/dbraw/zinc/18/47/70/1071184770.db2.gz LMPZUNMZUXGEMQ-WMLDXEAASA-N 1 0 415.498 0.421 20 0 HBADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[NH+](C)C ZINC000443841932 1071184879 /nfs/dbraw/zinc/18/48/79/1071184879.db2.gz LMPZUNMZUXGEMQ-YOEHRIQHSA-N 1 0 415.498 0.421 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000443865989 1071185519 /nfs/dbraw/zinc/18/55/19/1071185519.db2.gz DHRDFFHDDSPYRP-HNNXBMFYSA-N 1 0 418.498 -0.463 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000443865990 1071185533 /nfs/dbraw/zinc/18/55/33/1071185533.db2.gz DHRDFFHDDSPYRP-OAHLLOKOSA-N 1 0 418.498 -0.463 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(=O)n(C)c1=O ZINC000443871862 1071187078 /nfs/dbraw/zinc/18/70/78/1071187078.db2.gz YAHXTAKITFGAGC-HNNXBMFYSA-N 1 0 403.483 -0.248 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(=O)n(C)c1=O ZINC000443871864 1071187198 /nfs/dbraw/zinc/18/71/98/1071187198.db2.gz YAHXTAKITFGAGC-OAHLLOKOSA-N 1 0 403.483 -0.248 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000443928781 1071191282 /nfs/dbraw/zinc/19/12/82/1071191282.db2.gz NCWZWDCRORRXDT-INIZCTEOSA-N 1 0 407.519 -0.159 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000443928832 1071191348 /nfs/dbraw/zinc/19/13/48/1071191348.db2.gz NCWZWDCRORRXDT-MRXNPFEDSA-N 1 0 407.519 -0.159 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000443930815 1069546302 /nfs/dbraw/zinc/54/63/02/1069546302.db2.gz ULIFFKOIQFHOCQ-GFCCVEGCSA-N 1 0 401.514 0.463 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000443930818 1069546447 /nfs/dbraw/zinc/54/64/47/1069546447.db2.gz ULIFFKOIQFHOCQ-LBPRGKRZSA-N 1 0 401.514 0.463 20 0 HBADRO CN1CCN(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1=O ZINC000444006260 1071199865 /nfs/dbraw/zinc/19/98/65/1071199865.db2.gz AXHCTHWYMJGWBE-GOSISDBHSA-N 1 0 401.511 -0.226 20 0 HBADRO CN1CCN(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1=O ZINC000444006261 1071199767 /nfs/dbraw/zinc/19/97/67/1071199767.db2.gz AXHCTHWYMJGWBE-SFHVURJKSA-N 1 0 401.511 -0.226 20 0 HBADRO CN1CCN(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1=O ZINC000444011700 1071201223 /nfs/dbraw/zinc/20/12/23/1071201223.db2.gz SZFDRFZWHRUKTA-UHFFFAOYSA-N 1 0 401.511 -0.098 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444012831 1071201279 /nfs/dbraw/zinc/20/12/79/1071201279.db2.gz MGXJPHAKAKQELO-INMHGKMJSA-N 1 0 414.503 -0.688 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444012832 1071201256 /nfs/dbraw/zinc/20/12/56/1071201256.db2.gz MGXJPHAKAKQELO-UXLLHSPISA-N 1 0 414.503 -0.688 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000444016220 1071201156 /nfs/dbraw/zinc/20/11/56/1071201156.db2.gz YPKJWOCSUGINIF-INMHGKMJSA-N 1 0 415.487 -0.214 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000444016221 1071201292 /nfs/dbraw/zinc/20/12/92/1071201292.db2.gz YPKJWOCSUGINIF-UXLLHSPISA-N 1 0 415.487 -0.214 20 0 HBADRO CN1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1=O ZINC000444032580 1071204019 /nfs/dbraw/zinc/20/40/19/1071204019.db2.gz CVIQUKQAKSSECF-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c(=O)n(C)c1=O ZINC000444035995 1071205277 /nfs/dbraw/zinc/20/52/77/1071205277.db2.gz CEOGIFKDDFOEGE-UHFFFAOYSA-N 1 0 407.496 -0.368 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000444066869 1071212310 /nfs/dbraw/zinc/21/23/10/1071212310.db2.gz VLIFIDPKDGUIKR-UHFFFAOYSA-N 1 0 418.541 -0.669 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000444068247 1071212338 /nfs/dbraw/zinc/21/23/38/1071212338.db2.gz GDMXEGZHPWQRJZ-UHFFFAOYSA-N 1 0 405.542 -0.081 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444071447 1071213010 /nfs/dbraw/zinc/21/30/10/1071213010.db2.gz LSHBBLPRUUUALR-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444071448 1071213070 /nfs/dbraw/zinc/21/30/70/1071213070.db2.gz LSHBBLPRUUUALR-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000444071742 1071213789 /nfs/dbraw/zinc/21/37/89/1071213789.db2.gz MNGJYPWMHBCUGT-UHFFFAOYSA-N 1 0 403.526 -0.138 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000444076334 1071214343 /nfs/dbraw/zinc/21/43/43/1071214343.db2.gz RGNPTUBHSCXEST-UHFFFAOYSA-N 1 0 423.557 -0.502 20 0 HBADRO C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000444082699 1071216492 /nfs/dbraw/zinc/21/64/92/1071216492.db2.gz IVFFEPDZWXTHDH-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000444082700 1071216524 /nfs/dbraw/zinc/21/65/24/1071216524.db2.gz IVFFEPDZWXTHDH-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000444121818 1071220082 /nfs/dbraw/zinc/22/00/82/1071220082.db2.gz NAMFFDNSYQOREC-ZBFHGGJFSA-N 1 0 415.487 -0.478 20 0 HBADRO CC(C)S(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000444162215 1071224626 /nfs/dbraw/zinc/22/46/26/1071224626.db2.gz SHTZUHABEGQZLG-HNNXBMFYSA-N 1 0 403.549 -0.172 20 0 HBADRO CC(C)S(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000444162216 1071224566 /nfs/dbraw/zinc/22/45/66/1071224566.db2.gz SHTZUHABEGQZLG-OAHLLOKOSA-N 1 0 403.549 -0.172 20 0 HBADRO CCOC1CC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)(N2CCOCC2)C1 ZINC000444170778 1071225422 /nfs/dbraw/zinc/22/54/22/1071225422.db2.gz UYMJQROGSUPPQY-GNZRSQJKSA-N 1 0 411.547 -0.105 20 0 HBADRO CCOC1CC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)(N2CCOCC2)C1 ZINC000444170779 1071225211 /nfs/dbraw/zinc/22/52/11/1071225211.db2.gz UYMJQROGSUPPQY-OHTSDLOESA-N 1 0 411.547 -0.105 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000444234748 1071238544 /nfs/dbraw/zinc/23/85/44/1071238544.db2.gz DMWJTXXKUSSRGT-KRWDZBQOSA-N 1 0 410.540 -0.211 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000444234749 1071238692 /nfs/dbraw/zinc/23/86/92/1071238692.db2.gz DMWJTXXKUSSRGT-QGZVFWFLSA-N 1 0 410.540 -0.211 20 0 HBADRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000444240038 1071237899 /nfs/dbraw/zinc/23/78/99/1071237899.db2.gz LFLGETMNQAAQLW-GHTZIAJQSA-N 1 0 421.494 -0.126 20 0 HBADRO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000444240043 1071238081 /nfs/dbraw/zinc/23/80/81/1071238081.db2.gz LFLGETMNQAAQLW-NQIIRXRSSA-N 1 0 421.494 -0.126 20 0 HBADRO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000444240046 1071237854 /nfs/dbraw/zinc/23/78/54/1071237854.db2.gz LFLGETMNQAAQLW-RXVVDRJESA-N 1 0 421.494 -0.126 20 0 HBADRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000444240049 1071238064 /nfs/dbraw/zinc/23/80/64/1071238064.db2.gz LFLGETMNQAAQLW-WIYYLYMNSA-N 1 0 421.494 -0.126 20 0 HBADRO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000444240609 1071237988 /nfs/dbraw/zinc/23/79/88/1071237988.db2.gz LUMIDQGOGDSLGD-KRWDZBQOSA-N 1 0 418.516 -0.499 20 0 HBADRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000444240610 1071238023 /nfs/dbraw/zinc/23/80/23/1071238023.db2.gz LUMIDQGOGDSLGD-QGZVFWFLSA-N 1 0 418.516 -0.499 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246148 1071239848 /nfs/dbraw/zinc/23/98/48/1071239848.db2.gz ZBHCZWHEOFYDJY-KMFMINBZSA-N 1 0 403.476 -0.622 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444246152 1071240010 /nfs/dbraw/zinc/24/00/10/1071240010.db2.gz ZBHCZWHEOFYDJY-UKPHBRMFSA-N 1 0 403.476 -0.622 20 0 HBADRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444292770 1071245203 /nfs/dbraw/zinc/24/52/03/1071245203.db2.gz SGYPROUKRRMOKM-ZBFHGGJFSA-N 1 0 403.476 -0.356 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000444309818 1071246138 /nfs/dbraw/zinc/24/61/38/1071246138.db2.gz PCYCDJCTWAYQOR-AWEZNQCLSA-N 1 0 409.491 -0.617 20 0 HBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000444309830 1071246050 /nfs/dbraw/zinc/24/60/50/1071246050.db2.gz PCYCDJCTWAYQOR-CQSZACIVSA-N 1 0 409.491 -0.617 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000444330935 1071263404 /nfs/dbraw/zinc/26/34/04/1071263404.db2.gz YZHAHAFBFGLHFB-KMFMINBZSA-N 1 0 401.460 -0.868 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000444330936 1071263333 /nfs/dbraw/zinc/26/33/33/1071263333.db2.gz YZHAHAFBFGLHFB-UKPHBRMFSA-N 1 0 401.460 -0.868 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000444344328 1071280511 /nfs/dbraw/zinc/28/05/11/1071280511.db2.gz SAXUMCYVAGUXMX-ZBFHGGJFSA-N 1 0 403.476 -0.620 20 0 HBADRO Cc1c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000444384446 1071302904 /nfs/dbraw/zinc/30/29/04/1071302904.db2.gz NANAYSWPIRFGRA-GFCCVEGCSA-N 1 0 403.483 -0.142 20 0 HBADRO Cc1c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000444384447 1071302985 /nfs/dbraw/zinc/30/29/85/1071302985.db2.gz NANAYSWPIRFGRA-LBPRGKRZSA-N 1 0 403.483 -0.142 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000444386094 1071300011 /nfs/dbraw/zinc/30/00/11/1071300011.db2.gz RXDIUIJDFHUKGS-CYBMUJFWSA-N 1 0 402.517 -0.143 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000444386096 1071300346 /nfs/dbraw/zinc/30/03/46/1071300346.db2.gz RXDIUIJDFHUKGS-ZDUSSCGKSA-N 1 0 402.517 -0.143 20 0 HBADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000444387797 1071300380 /nfs/dbraw/zinc/30/03/80/1071300380.db2.gz IOGIZIGKJWGYMN-CYBMUJFWSA-N 1 0 403.483 -0.142 20 0 HBADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000444387798 1071300050 /nfs/dbraw/zinc/30/00/50/1071300050.db2.gz IOGIZIGKJWGYMN-ZDUSSCGKSA-N 1 0 403.483 -0.142 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000444389378 1071299958 /nfs/dbraw/zinc/29/99/58/1071299958.db2.gz OGLLFCSNKDMMKC-AWEZNQCLSA-N 1 0 406.549 -0.876 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000444389379 1071300829 /nfs/dbraw/zinc/30/08/29/1071300829.db2.gz OGLLFCSNKDMMKC-CQSZACIVSA-N 1 0 406.549 -0.876 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)CN(CCO)CCN2CCOCC2)ccc1C ZINC000444394356 1068546036 /nfs/dbraw/zinc/54/60/36/1068546036.db2.gz HVKFQGLEYXWEHS-UHFFFAOYSA-N 1 0 414.528 -0.532 20 0 HBADRO O=C(CN(CCO)CCN1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000444398320 1068546572 /nfs/dbraw/zinc/54/65/72/1068546572.db2.gz FVJASAXUVFSBBK-UHFFFAOYSA-N 1 0 412.575 -0.236 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](CCO)CCN2CCOCC2)c1 ZINC000444398378 1068546466 /nfs/dbraw/zinc/54/64/66/1068546466.db2.gz IHTUGBRPMLGDMJ-UHFFFAOYSA-N 1 0 400.501 -0.711 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)CN(CCO)CCN2CCOCC2)c1 ZINC000444399337 1068546370 /nfs/dbraw/zinc/54/63/70/1068546370.db2.gz WOEYYGHKRLUUAV-UHFFFAOYSA-N 1 0 414.528 -0.498 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000444501968 1071322525 /nfs/dbraw/zinc/32/25/25/1071322525.db2.gz MFGOVRRPOGWVIG-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)n1 ZINC000444502584 1071322660 /nfs/dbraw/zinc/32/26/60/1071322660.db2.gz QFTLRFNGGZOZAL-UHFFFAOYSA-N 1 0 416.482 0.167 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000444503484 1071323442 /nfs/dbraw/zinc/32/34/42/1071323442.db2.gz VFRVDVUDXCSORX-UHFFFAOYSA-N 1 0 416.482 0.167 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000444503870 1071322782 /nfs/dbraw/zinc/32/27/82/1071322782.db2.gz FWBSIQSVIWDAGX-UHFFFAOYSA-N 1 0 422.555 0.388 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000444504225 1069547009 /nfs/dbraw/zinc/54/70/09/1069547009.db2.gz YXMDOTUSMMYKFR-INIZCTEOSA-N 1 0 400.483 0.199 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000444504226 1069547110 /nfs/dbraw/zinc/54/71/10/1069547110.db2.gz YXMDOTUSMMYKFR-MRXNPFEDSA-N 1 0 400.483 0.199 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000444505013 1071323897 /nfs/dbraw/zinc/32/38/97/1071323897.db2.gz CAEDAQOAGAUCCT-HNNXBMFYSA-N 1 0 404.446 0.468 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000444505018 1069538539 /nfs/dbraw/zinc/53/85/39/1069538539.db2.gz CAEDAQOAGAUCCT-OAHLLOKOSA-N 1 0 404.446 0.468 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000444505101 1069544421 /nfs/dbraw/zinc/54/44/21/1069544421.db2.gz FKPCTWTXLMMVTQ-UHFFFAOYSA-N 1 0 400.483 0.500 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000444510666 1069554726 /nfs/dbraw/zinc/55/47/26/1069554726.db2.gz GKOSWIACCAPDFM-UHFFFAOYSA-N 1 0 407.425 0.550 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444511145 1069542897 /nfs/dbraw/zinc/54/28/97/1069542897.db2.gz VHNUJJNLJGTQMO-GFCCVEGCSA-N 1 0 400.430 0.146 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444511146 1071327668 /nfs/dbraw/zinc/32/76/68/1071327668.db2.gz VHNUJJNLJGTQMO-LBPRGKRZSA-N 1 0 400.430 0.146 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000444511342 1071327627 /nfs/dbraw/zinc/32/76/27/1071327627.db2.gz XDHBDLGMLVSREE-CALCHBBNSA-N 1 0 406.531 0.485 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000444511343 1071328026 /nfs/dbraw/zinc/32/80/26/1071328026.db2.gz XDHBDLGMLVSREE-IAGOWNOFSA-N 1 0 406.531 0.485 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000444511344 1071327986 /nfs/dbraw/zinc/32/79/86/1071327986.db2.gz XDHBDLGMLVSREE-IRXDYDNUSA-N 1 0 406.531 0.485 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)n1 ZINC000444511679 1069544966 /nfs/dbraw/zinc/54/49/66/1069544966.db2.gz NGYLDTOPFOUJBF-UHFFFAOYSA-N 1 0 416.482 0.167 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000444515282 1071325204 /nfs/dbraw/zinc/32/52/04/1071325204.db2.gz LZWBYAVYAAWFNM-MSOLQXFVSA-N 1 0 415.494 0.467 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000444515283 1071324911 /nfs/dbraw/zinc/32/49/11/1071324911.db2.gz LZWBYAVYAAWFNM-QZTJIDSGSA-N 1 0 415.494 0.467 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000444515284 1071324992 /nfs/dbraw/zinc/32/49/92/1071324992.db2.gz LZWBYAVYAAWFNM-ROUUACIJSA-N 1 0 415.494 0.467 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000444515285 1071325134 /nfs/dbraw/zinc/32/51/34/1071325134.db2.gz LZWBYAVYAAWFNM-ZWKOTPCHSA-N 1 0 415.494 0.467 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000444515777 1071325098 /nfs/dbraw/zinc/32/50/98/1071325098.db2.gz ALYLMFYGBIOYFP-UHFFFAOYSA-N 1 0 406.531 0.535 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000444517317 1071324977 /nfs/dbraw/zinc/32/49/77/1071324977.db2.gz CWJSSSXDDCUTPB-UHFFFAOYSA-N 1 0 420.514 0.013 20 0 HBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC1 ZINC000444519102 1071325668 /nfs/dbraw/zinc/32/56/68/1071325668.db2.gz FNAVFERQYHQTAE-UHFFFAOYSA-N 1 0 422.530 0.259 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000444519280 1071325838 /nfs/dbraw/zinc/32/58/38/1071325838.db2.gz LOERATVCHOKYBE-UHFFFAOYSA-N 1 0 420.514 -0.129 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000444521445 1069611169 /nfs/dbraw/zinc/61/11/69/1069611169.db2.gz LXSJELZTONTKES-HNNXBMFYSA-N 1 0 408.503 -0.131 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000444521446 1069611112 /nfs/dbraw/zinc/61/11/12/1069611112.db2.gz LXSJELZTONTKES-OAHLLOKOSA-N 1 0 408.503 -0.131 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000444522287 1071326233 /nfs/dbraw/zinc/32/62/33/1071326233.db2.gz VYUVCBKJRQCNRC-UHFFFAOYSA-N 1 0 422.530 0.211 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000444526751 1069544241 /nfs/dbraw/zinc/54/42/41/1069544241.db2.gz KWPWECWUKPSMFM-UHFFFAOYSA-N 1 0 406.512 0.562 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000444529917 1071326757 /nfs/dbraw/zinc/32/67/57/1071326757.db2.gz UICMTIXAVWYJTA-UHFFFAOYSA-N 1 0 404.446 0.297 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cn1C ZINC000444549600 1071328886 /nfs/dbraw/zinc/32/88/86/1071328886.db2.gz MXMFFKIJZUXZSP-CYBMUJFWSA-N 1 0 401.533 -0.299 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cn1C ZINC000444549601 1071329297 /nfs/dbraw/zinc/32/92/97/1071329297.db2.gz MXMFFKIJZUXZSP-ZDUSSCGKSA-N 1 0 401.533 -0.299 20 0 HBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000444549827 1071328751 /nfs/dbraw/zinc/32/87/51/1071328751.db2.gz LQZQRWBQINPTDW-ILXRZTDVSA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000444549828 1071329337 /nfs/dbraw/zinc/32/93/37/1071329337.db2.gz LQZQRWBQINPTDW-KFWWJZLASA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000444549829 1071328936 /nfs/dbraw/zinc/32/89/36/1071328936.db2.gz LQZQRWBQINPTDW-QLFBSQMISA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CC(C)(C)O ZINC000444549830 1071329014 /nfs/dbraw/zinc/32/90/14/1071329014.db2.gz LQZQRWBQINPTDW-RBSFLKMASA-N 1 0 401.529 -0.674 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000444550451 1071329135 /nfs/dbraw/zinc/32/91/35/1071329135.db2.gz MERBMPRQSDSTQK-CYBMUJFWSA-N 1 0 402.517 -0.143 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000444550454 1071328821 /nfs/dbraw/zinc/32/88/21/1071328821.db2.gz MERBMPRQSDSTQK-ZDUSSCGKSA-N 1 0 402.517 -0.143 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444554656 1071329982 /nfs/dbraw/zinc/32/99/82/1071329982.db2.gz SHRKXYCJIUQODU-AWEZNQCLSA-N 1 0 406.549 -0.876 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444554657 1071329767 /nfs/dbraw/zinc/32/97/67/1071329767.db2.gz SHRKXYCJIUQODU-CQSZACIVSA-N 1 0 406.549 -0.876 20 0 HBADRO C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000444555095 1071330025 /nfs/dbraw/zinc/33/00/25/1071330025.db2.gz SPOFFGVFQBMKQZ-AWEZNQCLSA-N 1 0 414.528 -0.047 20 0 HBADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000444555097 1071329925 /nfs/dbraw/zinc/32/99/25/1071329925.db2.gz SPOFFGVFQBMKQZ-CQSZACIVSA-N 1 0 414.528 -0.047 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000444564991 1071331157 /nfs/dbraw/zinc/33/11/57/1071331157.db2.gz BGSFMARWKVJCDT-UHFFFAOYSA-N 1 0 406.487 -0.375 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCCOC)n2)CC1 ZINC000444566650 1069611072 /nfs/dbraw/zinc/61/10/72/1069611072.db2.gz DPYRFHOMJQDOMA-UHFFFAOYSA-N 1 0 408.503 -0.129 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000444570463 1069611210 /nfs/dbraw/zinc/61/12/10/1069611210.db2.gz NBKIORZZYCSXRW-UHFFFAOYSA-N 1 0 400.430 0.099 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000444572238 1071332930 /nfs/dbraw/zinc/33/29/30/1071332930.db2.gz RGMRVEPCCBSKAV-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000444572809 1071332382 /nfs/dbraw/zinc/33/23/82/1071332382.db2.gz SESJETBZIFBUHH-UHFFFAOYSA-N 1 0 418.498 -0.266 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000444573341 1071332794 /nfs/dbraw/zinc/33/27/94/1071332794.db2.gz SRSANEMYZVFMSN-HNNXBMFYSA-N 1 0 400.483 0.547 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000444573344 1071333111 /nfs/dbraw/zinc/33/31/11/1071333111.db2.gz SRSANEMYZVFMSN-OAHLLOKOSA-N 1 0 400.483 0.547 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000444577954 1071331270 /nfs/dbraw/zinc/33/12/70/1071331270.db2.gz XHGRDOYJMOSFCF-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO C[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000444578023 1071332426 /nfs/dbraw/zinc/33/24/26/1071332426.db2.gz LVDORGSUGJCYNO-CYBMUJFWSA-N 1 0 406.487 -0.873 20 0 HBADRO C[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000444578024 1071332258 /nfs/dbraw/zinc/33/22/58/1071332258.db2.gz LVDORGSUGJCYNO-ZDUSSCGKSA-N 1 0 406.487 -0.873 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[NH+](C)C)c1 ZINC000444581418 1069648611 /nfs/dbraw/zinc/64/86/11/1069648611.db2.gz GTTPXYSDXYSIQQ-INIZCTEOSA-N 1 0 416.482 0.338 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[NH+](C)C)c1 ZINC000444581419 1069647763 /nfs/dbraw/zinc/64/77/63/1069647763.db2.gz GTTPXYSDXYSIQQ-MRXNPFEDSA-N 1 0 416.482 0.338 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000444582389 1071334696 /nfs/dbraw/zinc/33/46/96/1071334696.db2.gz JZIVDSXPUPRNCQ-HNNXBMFYSA-N 1 0 404.446 0.468 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000444582390 1071334729 /nfs/dbraw/zinc/33/47/29/1071334729.db2.gz JZIVDSXPUPRNCQ-OAHLLOKOSA-N 1 0 404.446 0.468 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)c1 ZINC000444585958 1069651337 /nfs/dbraw/zinc/65/13/37/1069651337.db2.gz KMOKVTGGYAHGEU-UHFFFAOYSA-N 1 0 415.454 -0.338 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000444586498 1071336210 /nfs/dbraw/zinc/33/62/10/1071336210.db2.gz OQNSWASFOLELID-UHFFFAOYSA-N 1 0 404.446 0.427 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000444586589 1071335679 /nfs/dbraw/zinc/33/56/79/1071335679.db2.gz PGSACQCECVEJRH-KRWDZBQOSA-N 1 0 406.531 0.487 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000444586590 1071335706 /nfs/dbraw/zinc/33/57/06/1071335706.db2.gz PGSACQCECVEJRH-QGZVFWFLSA-N 1 0 406.531 0.487 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000444587444 1071332903 /nfs/dbraw/zinc/33/29/03/1071332903.db2.gz ALKBHVYEWOKFLH-UHFFFAOYSA-N 1 0 414.510 0.402 20 0 HBADRO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000444588451 1071332960 /nfs/dbraw/zinc/33/29/60/1071332960.db2.gz ZNSFGAPXRWMKKS-UHFFFAOYSA-N 1 0 416.482 -0.512 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccn(CCOC)n3)cn2)CC1 ZINC000444589621 1069616404 /nfs/dbraw/zinc/61/64/04/1069616404.db2.gz JZVVOEFZUUBSFY-UHFFFAOYSA-N 1 0 415.498 0.321 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000444591050 1071333709 /nfs/dbraw/zinc/33/37/09/1071333709.db2.gz DEEMSSZUUZBNMY-INIZCTEOSA-N 1 0 400.483 0.199 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000444591053 1071334458 /nfs/dbraw/zinc/33/44/58/1071334458.db2.gz DEEMSSZUUZBNMY-MRXNPFEDSA-N 1 0 400.483 0.199 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000444592010 1071333759 /nfs/dbraw/zinc/33/37/59/1071333759.db2.gz DTOFENMDNROVBG-QGZVFWFLSA-N 1 0 401.467 0.003 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)cn2)CC1 ZINC000444593769 1069554904 /nfs/dbraw/zinc/55/49/04/1069554904.db2.gz HAXVFGNUABGCCA-UHFFFAOYSA-N 1 0 407.425 0.550 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000444596062 1071335021 /nfs/dbraw/zinc/33/50/21/1071335021.db2.gz WBYJOFXCSCLLMZ-UHFFFAOYSA-N 1 0 400.483 0.548 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000444596381 1071334328 /nfs/dbraw/zinc/33/43/28/1071334328.db2.gz LAJRWZHMVIQPGO-GOSISDBHSA-N 1 0 415.494 0.394 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccn(CC(F)F)n3)ccn2)CC1 ZINC000444596508 1069554668 /nfs/dbraw/zinc/55/46/68/1069554668.db2.gz NIIFYNOYLJEGNB-UHFFFAOYSA-N 1 0 407.425 0.550 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000444600852 1071338386 /nfs/dbraw/zinc/33/83/86/1071338386.db2.gz UXUSRVWGMNBALS-UHFFFAOYSA-N 1 0 412.494 0.474 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444655672 1069612429 /nfs/dbraw/zinc/61/24/29/1069612429.db2.gz AKOSBYDVPFBBNH-FQEVSTJZSA-N 1 0 401.467 0.221 20 0 HBADRO COCCn1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444655673 1071340562 /nfs/dbraw/zinc/34/05/62/1071340562.db2.gz AKOSBYDVPFBBNH-HXUWFJFHSA-N 1 0 401.467 0.221 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000444656776 1069537882 /nfs/dbraw/zinc/53/78/82/1069537882.db2.gz ADFWGYPLIYZLDJ-UHFFFAOYSA-N 1 0 412.494 0.125 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000444666318 1071341538 /nfs/dbraw/zinc/34/15/38/1071341538.db2.gz ADXHESSMLMBSSA-HNNXBMFYSA-N 1 0 412.556 -0.230 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000444666320 1071341574 /nfs/dbraw/zinc/34/15/74/1071341574.db2.gz ADXHESSMLMBSSA-OAHLLOKOSA-N 1 0 412.556 -0.230 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)S(C)(=O)=O ZINC000444666479 1071341692 /nfs/dbraw/zinc/34/16/92/1071341692.db2.gz BBHABDQRZDKCDY-INIZCTEOSA-N 1 0 406.593 -0.060 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)S(C)(=O)=O ZINC000444666480 1071341654 /nfs/dbraw/zinc/34/16/54/1071341654.db2.gz BBHABDQRZDKCDY-MRXNPFEDSA-N 1 0 406.593 -0.060 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(=O)n(C)c1=O ZINC000444666834 1071341612 /nfs/dbraw/zinc/34/16/12/1071341612.db2.gz BIJGFLVYYFXKRO-AWEZNQCLSA-N 1 0 409.531 -0.255 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(=O)n(C)c1=O ZINC000444666837 1071341756 /nfs/dbraw/zinc/34/17/56/1071341756.db2.gz BIJGFLVYYFXKRO-CQSZACIVSA-N 1 0 409.531 -0.255 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000444667017 1071341941 /nfs/dbraw/zinc/34/19/41/1071341941.db2.gz XRIZTDVIRWJIGO-LLVKDONJSA-N 1 0 401.261 -0.077 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000444667018 1071341807 /nfs/dbraw/zinc/34/18/07/1071341807.db2.gz XRIZTDVIRWJIGO-NSHDSACASA-N 1 0 401.261 -0.077 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000444673506 1071342427 /nfs/dbraw/zinc/34/24/27/1071342427.db2.gz MXUVDYYDEUAJBE-KRWDZBQOSA-N 1 0 411.591 -0.178 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000444673508 1071342275 /nfs/dbraw/zinc/34/22/75/1071342275.db2.gz MXUVDYYDEUAJBE-QGZVFWFLSA-N 1 0 411.591 -0.178 20 0 HBADRO COCc1noc(CN2CCN(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000444731637 1071347729 /nfs/dbraw/zinc/34/77/29/1071347729.db2.gz IZTCHCQXOUYGPJ-KRWDZBQOSA-N 1 0 424.546 -0.193 20 0 HBADRO COCc1noc(CN2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000444731641 1071347865 /nfs/dbraw/zinc/34/78/65/1071347865.db2.gz IZTCHCQXOUYGPJ-QGZVFWFLSA-N 1 0 424.546 -0.193 20 0 HBADRO Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C[C@H]2CO)cn1 ZINC000444749332 1071350513 /nfs/dbraw/zinc/35/05/13/1071350513.db2.gz VWUYWAIBLSNTNQ-ROUUACIJSA-N 1 0 420.558 -0.513 20 0 HBADRO COCCO[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000444749968 1071350230 /nfs/dbraw/zinc/35/02/30/1071350230.db2.gz WLCLWRUNOWQKHY-HNNXBMFYSA-N 1 0 403.487 -0.251 20 0 HBADRO COCCO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000444749969 1071350679 /nfs/dbraw/zinc/35/06/79/1071350679.db2.gz WLCLWRUNOWQKHY-OAHLLOKOSA-N 1 0 403.487 -0.251 20 0 HBADRO Cn1cc([C@@H]2C[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C[C@H]2CO)cn1 ZINC000444750111 1071350557 /nfs/dbraw/zinc/35/05/57/1071350557.db2.gz XWMSIUCIGYWEPT-GJZGRUSLSA-N 1 0 401.471 -0.735 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000444753375 1071351014 /nfs/dbraw/zinc/35/10/14/1071351014.db2.gz YWGFGGDZOIDMER-UHFFFAOYSA-N 1 0 403.487 -0.515 20 0 HBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)CC1(O)CCOCC1 ZINC000444754087 1071351428 /nfs/dbraw/zinc/35/14/28/1071351428.db2.gz KQPULXSDQFWRIO-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(=O)n(C)c1=O ZINC000444759029 1071349410 /nfs/dbraw/zinc/34/94/10/1071349410.db2.gz PAPUYBKWRLEJLY-AWEZNQCLSA-N 1 0 409.531 -0.255 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(=O)n(C)c1=O ZINC000444759031 1071349655 /nfs/dbraw/zinc/34/96/55/1071349655.db2.gz PAPUYBKWRLEJLY-CQSZACIVSA-N 1 0 409.531 -0.255 20 0 HBADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444759255 1071349875 /nfs/dbraw/zinc/34/98/75/1071349875.db2.gz HYSCAERMPXBLPC-KRWDZBQOSA-N 1 0 411.591 -0.178 20 0 HBADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444759257 1071349374 /nfs/dbraw/zinc/34/93/74/1071349374.db2.gz HYSCAERMPXBLPC-QGZVFWFLSA-N 1 0 411.591 -0.178 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)S(C)(=O)=O ZINC000444760912 1071349462 /nfs/dbraw/zinc/34/94/62/1071349462.db2.gz MFINZXZUVHCPTA-INIZCTEOSA-N 1 0 406.593 -0.060 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1)S(C)(=O)=O ZINC000444760913 1071349600 /nfs/dbraw/zinc/34/96/00/1071349600.db2.gz MFINZXZUVHCPTA-MRXNPFEDSA-N 1 0 406.593 -0.060 20 0 HBADRO O=C(C[N@@H+](CCO)C1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000444767850 1071352212 /nfs/dbraw/zinc/35/22/12/1071352212.db2.gz AMTSHDSSRHJTKR-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](CCO)C2CCOCC2)CC1 ZINC000444775307 1071352875 /nfs/dbraw/zinc/35/28/75/1071352875.db2.gz HIBJRECYAISXJH-UHFFFAOYSA-N 1 0 403.487 -0.515 20 0 HBADRO C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444789805 1071352810 /nfs/dbraw/zinc/35/28/10/1071352810.db2.gz FWRCZGOIZWTPHO-HNNXBMFYSA-N 1 0 412.556 -0.230 20 0 HBADRO C[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444789806 1071352923 /nfs/dbraw/zinc/35/29/23/1071352923.db2.gz FWRCZGOIZWTPHO-OAHLLOKOSA-N 1 0 412.556 -0.230 20 0 HBADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000444793926 1071353560 /nfs/dbraw/zinc/35/35/60/1071353560.db2.gz QKTIJYPDIJYPNJ-FCEWJHQRSA-N 1 0 417.572 -0.527 20 0 HBADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000444793927 1071353751 /nfs/dbraw/zinc/35/37/51/1071353751.db2.gz QKTIJYPDIJYPNJ-FRQCXROJSA-N 1 0 417.572 -0.527 20 0 HBADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000444793928 1071353656 /nfs/dbraw/zinc/35/36/56/1071353656.db2.gz QKTIJYPDIJYPNJ-GPMSIDNRSA-N 1 0 417.572 -0.527 20 0 HBADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000444793929 1071353788 /nfs/dbraw/zinc/35/37/88/1071353788.db2.gz QKTIJYPDIJYPNJ-MDZRGWNJSA-N 1 0 417.572 -0.527 20 0 HBADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444798532 1071354403 /nfs/dbraw/zinc/35/44/03/1071354403.db2.gz GIDBMSRYRVOWPT-DAYGRLMNSA-N 1 0 406.545 -0.196 20 0 HBADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444798534 1071354656 /nfs/dbraw/zinc/35/46/56/1071354656.db2.gz GIDBMSRYRVOWPT-HDMKZQKVSA-N 1 0 406.545 -0.196 20 0 HBADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444798536 1071354028 /nfs/dbraw/zinc/35/40/28/1071354028.db2.gz GIDBMSRYRVOWPT-IIDMSEBBSA-N 1 0 406.545 -0.196 20 0 HBADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444798538 1071354374 /nfs/dbraw/zinc/35/43/74/1071354374.db2.gz GIDBMSRYRVOWPT-RKVPGOIHSA-N 1 0 406.545 -0.196 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000444822412 1071354112 /nfs/dbraw/zinc/35/41/12/1071354112.db2.gz JVVJPXVGBJMLTJ-GFCCVEGCSA-N 1 0 404.471 -0.059 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000444822413 1071354482 /nfs/dbraw/zinc/35/44/82/1071354482.db2.gz JVVJPXVGBJMLTJ-LBPRGKRZSA-N 1 0 404.471 -0.059 20 0 HBADRO C[C@@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000444823197 1071354054 /nfs/dbraw/zinc/35/40/54/1071354054.db2.gz OYANPTQWSOWHKX-GFCCVEGCSA-N 1 0 404.471 -0.059 20 0 HBADRO C[C@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000444823198 1071354535 /nfs/dbraw/zinc/35/45/35/1071354535.db2.gz OYANPTQWSOWHKX-LBPRGKRZSA-N 1 0 404.471 -0.059 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000444864790 1071357514 /nfs/dbraw/zinc/35/75/14/1071357514.db2.gz XGTUZXQGBQIYJK-HNNXBMFYSA-N 1 0 408.503 0.051 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000444864794 1071357427 /nfs/dbraw/zinc/35/74/27/1071357427.db2.gz XGTUZXQGBQIYJK-OAHLLOKOSA-N 1 0 408.503 0.051 20 0 HBADRO C[C@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000444864915 1069558264 /nfs/dbraw/zinc/55/82/64/1069558264.db2.gz XUJSHFWZOJYGOH-HNNXBMFYSA-N 1 0 408.503 0.051 20 0 HBADRO C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000444864917 1069669397 /nfs/dbraw/zinc/66/93/97/1069669397.db2.gz XUJSHFWZOJYGOH-OAHLLOKOSA-N 1 0 408.503 0.051 20 0 HBADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000444957467 1071361207 /nfs/dbraw/zinc/36/12/07/1071361207.db2.gz DTXAFEJKKAAHEU-UHFFFAOYSA-N 1 0 415.560 -0.235 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1CC[NH+](C3CC3)CC1)C2 ZINC000444974237 1071361112 /nfs/dbraw/zinc/36/11/12/1071361112.db2.gz GSJKOTOSLZNOGG-UHFFFAOYSA-N 1 0 405.503 -0.467 20 0 HBADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000444982680 1071361801 /nfs/dbraw/zinc/36/18/01/1071361801.db2.gz VWRKPXPNXJTURO-UHFFFAOYSA-N 1 0 407.515 -0.427 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)CC1 ZINC000445034075 1071364036 /nfs/dbraw/zinc/36/40/36/1071364036.db2.gz NUNXPPPIGZQALT-KRWDZBQOSA-N 1 0 405.499 -0.672 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)CC1 ZINC000445034076 1071363905 /nfs/dbraw/zinc/36/39/05/1071363905.db2.gz NUNXPPPIGZQALT-QGZVFWFLSA-N 1 0 405.499 -0.672 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000445034476 1071364295 /nfs/dbraw/zinc/36/42/95/1071364295.db2.gz ONFIPPSSWSCVIW-GOSISDBHSA-N 1 0 405.499 -0.672 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000445034477 1071363983 /nfs/dbraw/zinc/36/39/83/1071363983.db2.gz ONFIPPSSWSCVIW-SFHVURJKSA-N 1 0 405.499 -0.672 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000445082386 1071368785 /nfs/dbraw/zinc/36/87/85/1071368785.db2.gz NHYJNFBPFGACOL-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000445087148 1071373284 /nfs/dbraw/zinc/37/32/84/1071373284.db2.gz UNQFRSUBQDSBPY-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000445090336 1071373231 /nfs/dbraw/zinc/37/32/31/1071373231.db2.gz YNYDBTXIGZLAHA-UHFFFAOYSA-N 1 0 405.499 -0.012 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(OC)c1 ZINC000445093991 1071373950 /nfs/dbraw/zinc/37/39/50/1071373950.db2.gz QNZDIWFVMBDVPM-AWEZNQCLSA-N 1 0 406.439 -0.124 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(OC)c1 ZINC000445093992 1071374099 /nfs/dbraw/zinc/37/40/99/1071374099.db2.gz QNZDIWFVMBDVPM-CQSZACIVSA-N 1 0 406.439 -0.124 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)C1 ZINC000445096879 1071373789 /nfs/dbraw/zinc/37/37/89/1071373789.db2.gz XKBCYUPHOIKHFY-DLBZAZTESA-N 1 0 423.539 -0.044 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)C1 ZINC000445096880 1071373691 /nfs/dbraw/zinc/37/36/91/1071373691.db2.gz XKBCYUPHOIKHFY-IAGOWNOFSA-N 1 0 423.539 -0.044 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000445096881 1071373993 /nfs/dbraw/zinc/37/39/93/1071373993.db2.gz XKBCYUPHOIKHFY-IRXDYDNUSA-N 1 0 423.539 -0.044 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000445096882 1071374066 /nfs/dbraw/zinc/37/40/66/1071374066.db2.gz XKBCYUPHOIKHFY-SJORKVTESA-N 1 0 423.539 -0.044 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000445103632 1071372492 /nfs/dbraw/zinc/37/24/92/1071372492.db2.gz BROSTQJBYRZLIN-NRFANRHFSA-N 1 0 417.510 -0.528 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000445103633 1071372360 /nfs/dbraw/zinc/37/23/60/1071372360.db2.gz BROSTQJBYRZLIN-OAQYLSRUSA-N 1 0 417.510 -0.528 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000445117349 1071376899 /nfs/dbraw/zinc/37/68/99/1071376899.db2.gz SFMCLIJWGRELCL-AWEZNQCLSA-N 1 0 403.549 -0.315 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000445117350 1071376964 /nfs/dbraw/zinc/37/69/64/1071376964.db2.gz SFMCLIJWGRELCL-CQSZACIVSA-N 1 0 403.549 -0.315 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000445118152 1071376991 /nfs/dbraw/zinc/37/69/91/1071376991.db2.gz PYGIRTBEOQHZGF-NRFANRHFSA-N 1 0 417.510 -0.528 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000445118153 1071377120 /nfs/dbraw/zinc/37/71/20/1071377120.db2.gz PYGIRTBEOQHZGF-OAQYLSRUSA-N 1 0 417.510 -0.528 20 0 HBADRO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445119753 1071376947 /nfs/dbraw/zinc/37/69/47/1071376947.db2.gz MNGDMQPECPEXTA-FQEVSTJZSA-N 1 0 405.499 -0.278 20 0 HBADRO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445119763 1071377353 /nfs/dbraw/zinc/37/73/53/1071377353.db2.gz MNGDMQPECPEXTA-HXUWFJFHSA-N 1 0 405.499 -0.278 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445122385 1071377743 /nfs/dbraw/zinc/37/77/43/1071377743.db2.gz POBLRKWMLFBCDE-NRFANRHFSA-N 1 0 419.526 -0.282 20 0 HBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445122386 1071377857 /nfs/dbraw/zinc/37/78/57/1071377857.db2.gz POBLRKWMLFBCDE-OAQYLSRUSA-N 1 0 419.526 -0.282 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000445125590 1071374606 /nfs/dbraw/zinc/37/46/06/1071374606.db2.gz XRJVAXOKZKPDRP-NRFANRHFSA-N 1 0 419.526 -0.282 20 0 HBADRO CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000445125591 1071375362 /nfs/dbraw/zinc/37/53/62/1071375362.db2.gz XRJVAXOKZKPDRP-OAQYLSRUSA-N 1 0 419.526 -0.282 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000445128641 1071379033 /nfs/dbraw/zinc/37/90/33/1071379033.db2.gz FUTQGTLOUVGSQC-UHFFFAOYSA-N 1 0 419.526 -0.280 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000445145072 1071378451 /nfs/dbraw/zinc/37/84/51/1071378451.db2.gz YCHFQPXETWAFJA-UHFFFAOYSA-N 1 0 405.499 -0.276 20 0 HBADRO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000445162701 1071382436 /nfs/dbraw/zinc/38/24/36/1071382436.db2.gz HLUMWKMITRLVQX-CQSZACIVSA-N 1 0 419.482 -0.380 20 0 HBADRO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000445166888 1071383768 /nfs/dbraw/zinc/38/37/68/1071383768.db2.gz POHISWKYFIVWMC-QGZVFWFLSA-N 1 0 403.527 -0.103 20 0 HBADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000445192678 1071389069 /nfs/dbraw/zinc/38/90/69/1071389069.db2.gz JYJWEEPPDRHTRO-MSOLQXFVSA-N 1 0 418.494 -0.103 20 0 HBADRO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000445192679 1068244791 /nfs/dbraw/zinc/24/47/91/1068244791.db2.gz JYJWEEPPDRHTRO-QZTJIDSGSA-N 1 0 418.494 -0.103 20 0 HBADRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000445192680 1071389125 /nfs/dbraw/zinc/38/91/25/1071389125.db2.gz JYJWEEPPDRHTRO-ROUUACIJSA-N 1 0 418.494 -0.103 20 0 HBADRO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000445192681 1068244420 /nfs/dbraw/zinc/24/44/20/1068244420.db2.gz JYJWEEPPDRHTRO-ZWKOTPCHSA-N 1 0 418.494 -0.103 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ncn(Cc3cccc(F)c3)n2)n1 ZINC000445204208 1071393560 /nfs/dbraw/zinc/39/35/60/1071393560.db2.gz QTIVOYWPGSLQQG-UHFFFAOYSA-N 1 0 414.445 0.479 20 0 HBADRO C[NH+]1CCN(c2cc(-c3nc(CC(=O)NCCN4CCOCC4)no3)ccn2)CC1 ZINC000445283845 1071396798 /nfs/dbraw/zinc/39/67/98/1071396798.db2.gz HTGHWOJLVWUFNH-UHFFFAOYSA-N 1 0 415.498 -0.126 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000445532179 1071418770 /nfs/dbraw/zinc/41/87/70/1071418770.db2.gz NIZYEONGOWWUCL-MSOLQXFVSA-N 1 0 422.574 -0.088 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000445532183 1071418805 /nfs/dbraw/zinc/41/88/05/1071418805.db2.gz NIZYEONGOWWUCL-QZTJIDSGSA-N 1 0 422.574 -0.088 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000445532184 1071418759 /nfs/dbraw/zinc/41/87/59/1071418759.db2.gz NIZYEONGOWWUCL-ROUUACIJSA-N 1 0 422.574 -0.088 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000445532185 1071418690 /nfs/dbraw/zinc/41/86/90/1071418690.db2.gz NIZYEONGOWWUCL-ZWKOTPCHSA-N 1 0 422.574 -0.088 20 0 HBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000445542736 1071417808 /nfs/dbraw/zinc/41/78/08/1071417808.db2.gz UOKCPZDCRGBJJD-UHFFFAOYSA-N 1 0 415.494 -0.321 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445612823 1071422601 /nfs/dbraw/zinc/42/26/01/1071422601.db2.gz OCKPZNNWMYGEDS-UHFFFAOYSA-N 1 0 417.510 -0.075 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000445667653 1071426981 /nfs/dbraw/zinc/42/69/81/1071426981.db2.gz SIXITSASIXNAHO-AWEZNQCLSA-N 1 0 421.527 -0.450 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000445667654 1071426939 /nfs/dbraw/zinc/42/69/39/1071426939.db2.gz SIXITSASIXNAHO-CQSZACIVSA-N 1 0 421.527 -0.450 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000445670181 1071427672 /nfs/dbraw/zinc/42/76/72/1071427672.db2.gz NAONOCLLDVLUSD-CYBMUJFWSA-N 1 0 407.500 -0.128 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000445670182 1071427643 /nfs/dbraw/zinc/42/76/43/1071427643.db2.gz NAONOCLLDVLUSD-ZDUSSCGKSA-N 1 0 407.500 -0.128 20 0 HBADRO CS[C@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000445745838 1071432594 /nfs/dbraw/zinc/43/25/94/1071432594.db2.gz ZNWGNAXJZUDUDF-KBPBESRZSA-N 1 0 412.603 -0.680 20 0 HBADRO CS[C@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000445745839 1071432754 /nfs/dbraw/zinc/43/27/54/1071432754.db2.gz ZNWGNAXJZUDUDF-KGLIPLIRSA-N 1 0 412.603 -0.680 20 0 HBADRO CS[C@@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000445745840 1071432864 /nfs/dbraw/zinc/43/28/64/1071432864.db2.gz ZNWGNAXJZUDUDF-UONOGXRCSA-N 1 0 412.603 -0.680 20 0 HBADRO CS[C@@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000445745841 1071432664 /nfs/dbraw/zinc/43/26/64/1071432664.db2.gz ZNWGNAXJZUDUDF-ZIAGYGMSSA-N 1 0 412.603 -0.680 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445765355 1071433835 /nfs/dbraw/zinc/43/38/35/1071433835.db2.gz LTTFMMHUVVXZDB-DZGCQCFKSA-N 1 0 400.487 -0.354 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445765356 1071433728 /nfs/dbraw/zinc/43/37/28/1071433728.db2.gz LTTFMMHUVVXZDB-HIFRSBDPSA-N 1 0 400.487 -0.354 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445765357 1071433542 /nfs/dbraw/zinc/43/35/42/1071433542.db2.gz LTTFMMHUVVXZDB-UKRRQHHQSA-N 1 0 400.487 -0.354 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445765358 1071433824 /nfs/dbraw/zinc/43/38/24/1071433824.db2.gz LTTFMMHUVVXZDB-ZFWWWQNUSA-N 1 0 400.487 -0.354 20 0 HBADRO Cn1c(=O)c(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000445788162 1071436087 /nfs/dbraw/zinc/43/60/87/1071436087.db2.gz YDKHOLKBTIFXFZ-CABCVRRESA-N 1 0 413.478 -0.006 20 0 HBADRO Cn1c(=O)c(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000445788163 1071436151 /nfs/dbraw/zinc/43/61/51/1071436151.db2.gz YDKHOLKBTIFXFZ-GJZGRUSLSA-N 1 0 413.478 -0.006 20 0 HBADRO Cn1c(=O)c(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000445788164 1071436139 /nfs/dbraw/zinc/43/61/39/1071436139.db2.gz YDKHOLKBTIFXFZ-HUUCEWRRSA-N 1 0 413.478 -0.006 20 0 HBADRO Cn1c(=O)c(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000445788165 1071436123 /nfs/dbraw/zinc/43/61/23/1071436123.db2.gz YDKHOLKBTIFXFZ-LSDHHAIUSA-N 1 0 413.478 -0.006 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000445836039 1071438996 /nfs/dbraw/zinc/43/89/96/1071438996.db2.gz ZDGDHFRKYKEDNQ-AWEZNQCLSA-N 1 0 421.527 -0.450 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000445836040 1071438903 /nfs/dbraw/zinc/43/89/03/1071438903.db2.gz ZDGDHFRKYKEDNQ-CQSZACIVSA-N 1 0 421.527 -0.450 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000445842984 1071439836 /nfs/dbraw/zinc/43/98/36/1071439836.db2.gz NWLWKDLSURAACJ-UHFFFAOYSA-N 1 0 402.565 -0.710 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000445845463 1071440621 /nfs/dbraw/zinc/44/06/21/1071440621.db2.gz UZUSPSVKCABOJB-CYBMUJFWSA-N 1 0 407.500 -0.128 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000445845464 1071440567 /nfs/dbraw/zinc/44/05/67/1071440567.db2.gz UZUSPSVKCABOJB-ZDUSSCGKSA-N 1 0 407.500 -0.128 20 0 HBADRO C[NH+](C)C1(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCC1 ZINC000445853033 1071439031 /nfs/dbraw/zinc/43/90/31/1071439031.db2.gz BKZHOMPNGJPDGV-UHFFFAOYSA-N 1 0 403.549 -0.189 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCC1 ZINC000445873081 1071441870 /nfs/dbraw/zinc/44/18/70/1071441870.db2.gz CCVPYRHLWIRPCZ-UHFFFAOYSA-N 1 0 413.500 -0.121 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000445906334 1071444274 /nfs/dbraw/zinc/44/42/74/1071444274.db2.gz GLZRLWXGBYTXJZ-DLBZAZTESA-N 1 0 408.547 -0.336 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000445906335 1071444198 /nfs/dbraw/zinc/44/41/98/1071444198.db2.gz GLZRLWXGBYTXJZ-IAGOWNOFSA-N 1 0 408.547 -0.336 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000445906336 1071444144 /nfs/dbraw/zinc/44/41/44/1071444144.db2.gz GLZRLWXGBYTXJZ-IRXDYDNUSA-N 1 0 408.547 -0.336 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000445906337 1071444216 /nfs/dbraw/zinc/44/42/16/1071444216.db2.gz GLZRLWXGBYTXJZ-SJORKVTESA-N 1 0 408.547 -0.336 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000445915477 1071444237 /nfs/dbraw/zinc/44/42/37/1071444237.db2.gz GKZIMRMFSQKFSY-UHFFFAOYSA-N 1 0 411.528 -0.419 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000445920174 1071444891 /nfs/dbraw/zinc/44/48/91/1071444891.db2.gz UQDCWPGQQCLTHQ-AWEZNQCLSA-N 1 0 421.527 -0.450 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000445920175 1071444739 /nfs/dbraw/zinc/44/47/39/1071444739.db2.gz UQDCWPGQQCLTHQ-CQSZACIVSA-N 1 0 421.527 -0.450 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000445922599 1071445513 /nfs/dbraw/zinc/44/55/13/1071445513.db2.gz YYKJNOCWTANJGV-UHFFFAOYSA-N 1 0 416.475 -0.195 20 0 HBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000445931697 1071447166 /nfs/dbraw/zinc/44/71/66/1071447166.db2.gz GFFYEUXCSRTNIX-UHFFFAOYSA-N 1 0 412.512 -0.112 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000445932178 1071447109 /nfs/dbraw/zinc/44/71/09/1071447109.db2.gz APDUVEYABAKFJR-UHFFFAOYSA-N 1 0 412.512 -0.026 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000445932787 1071447208 /nfs/dbraw/zinc/44/72/08/1071447208.db2.gz QHEXTYDQCOXDEH-UHFFFAOYSA-N 1 0 405.499 -0.293 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000445934646 1071447191 /nfs/dbraw/zinc/44/71/91/1071447191.db2.gz MIZDGOMNDSULEF-KRWDZBQOSA-N 1 0 404.467 -0.341 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000445934647 1071447037 /nfs/dbraw/zinc/44/70/37/1071447037.db2.gz MIZDGOMNDSULEF-QGZVFWFLSA-N 1 0 404.467 -0.341 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000445936065 1071447152 /nfs/dbraw/zinc/44/71/52/1071447152.db2.gz WJOILRRGJDLZEM-UHFFFAOYSA-N 1 0 411.528 -0.419 20 0 HBADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000445939856 1071447762 /nfs/dbraw/zinc/44/77/62/1071447762.db2.gz XSAZQVZFXXIPGY-CYBMUJFWSA-N 1 0 400.501 -0.042 20 0 HBADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000445939857 1071447967 /nfs/dbraw/zinc/44/79/67/1071447967.db2.gz XSAZQVZFXXIPGY-ZDUSSCGKSA-N 1 0 400.501 -0.042 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000445995136 1071451531 /nfs/dbraw/zinc/45/15/31/1071451531.db2.gz YBXBBSDEVCTSCO-AWEZNQCLSA-N 1 0 400.549 -0.429 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000445995138 1071451588 /nfs/dbraw/zinc/45/15/88/1071451588.db2.gz YBXBBSDEVCTSCO-CQSZACIVSA-N 1 0 400.549 -0.429 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446042395 1071455874 /nfs/dbraw/zinc/45/58/74/1071455874.db2.gz IINLOGQUXNETAF-INIZCTEOSA-N 1 0 403.483 -0.418 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446042396 1071455979 /nfs/dbraw/zinc/45/59/79/1071455979.db2.gz IINLOGQUXNETAF-MRXNPFEDSA-N 1 0 403.483 -0.418 20 0 HBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446042949 1071454361 /nfs/dbraw/zinc/45/43/61/1071454361.db2.gz KXFORJADLSONNG-KRWDZBQOSA-N 1 0 406.531 0.487 20 0 HBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446042950 1071454434 /nfs/dbraw/zinc/45/44/34/1071454434.db2.gz KXFORJADLSONNG-QGZVFWFLSA-N 1 0 406.531 0.487 20 0 HBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000446047058 1071454192 /nfs/dbraw/zinc/45/41/92/1071454192.db2.gz NIRLBDZUVZDADH-UHFFFAOYSA-N 1 0 423.495 -0.047 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446047063 1071454226 /nfs/dbraw/zinc/45/42/26/1071454226.db2.gz NJBGUEPLRMBMKQ-UHFFFAOYSA-N 1 0 419.526 -0.364 20 0 HBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000446049849 1071457504 /nfs/dbraw/zinc/45/75/04/1071457504.db2.gz BECBGSRUKHWWFL-UHFFFAOYSA-N 1 0 414.470 -0.913 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)n1 ZINC000446049924 1071457655 /nfs/dbraw/zinc/45/76/55/1071457655.db2.gz DUYRBLQJVDSOTC-UHFFFAOYSA-N 1 0 424.456 0.319 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446050525 1071457695 /nfs/dbraw/zinc/45/76/95/1071457695.db2.gz CISMGKSYVPPVHB-UHFFFAOYSA-N 1 0 417.510 -0.074 20 0 HBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000446053825 1071457674 /nfs/dbraw/zinc/45/76/74/1071457674.db2.gz OHNBEAYGSONMQB-UHFFFAOYSA-N 1 0 411.528 -0.838 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000446055859 1071458380 /nfs/dbraw/zinc/45/83/80/1071458380.db2.gz WJTIEJAUKNHYPX-CVEARBPZSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000446055860 1071458191 /nfs/dbraw/zinc/45/81/91/1071458191.db2.gz WJTIEJAUKNHYPX-HOTGVXAUSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000446055861 1071458408 /nfs/dbraw/zinc/45/84/08/1071458408.db2.gz WJTIEJAUKNHYPX-HZPDHXFCSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000446055862 1071458496 /nfs/dbraw/zinc/45/84/96/1071458496.db2.gz WJTIEJAUKNHYPX-JKSUJKDBSA-N 1 0 412.560 -0.285 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000446060628 1071458977 /nfs/dbraw/zinc/45/89/77/1071458977.db2.gz NICWABVPDAQBRV-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000446065841 1071456958 /nfs/dbraw/zinc/45/69/58/1071456958.db2.gz DNVLOAZATPWBIA-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000446065869 1071456821 /nfs/dbraw/zinc/45/68/21/1071456821.db2.gz DVJWGFWDEGSKDV-UHFFFAOYSA-N 1 0 418.516 -0.545 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000446065971 1071456524 /nfs/dbraw/zinc/45/65/24/1071456524.db2.gz FVEPSPNVBGGJIB-IBGZPJMESA-N 1 0 421.494 -0.172 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000446065972 1071456648 /nfs/dbraw/zinc/45/66/48/1071456648.db2.gz FVEPSPNVBGGJIB-LJQANCHMSA-N 1 0 421.494 -0.172 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CC2(CO)CC2)CC1 ZINC000446070839 1071459720 /nfs/dbraw/zinc/45/97/20/1071459720.db2.gz NXXFNDGLFQSESP-UHFFFAOYSA-N 1 0 400.501 -0.171 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000446080942 1071459062 /nfs/dbraw/zinc/45/90/62/1071459062.db2.gz UPQAMNFENPKLLU-UHFFFAOYSA-N 1 0 413.540 -0.009 20 0 HBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000446083049 1071459008 /nfs/dbraw/zinc/45/90/08/1071459008.db2.gz ZODSUNRXPSFULP-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000446105610 1071461793 /nfs/dbraw/zinc/46/17/93/1071461793.db2.gz SRGNEMNOZMQAAW-AWEZNQCLSA-N 1 0 400.549 -0.523 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000446105611 1071461926 /nfs/dbraw/zinc/46/19/26/1071461926.db2.gz SRGNEMNOZMQAAW-CQSZACIVSA-N 1 0 400.549 -0.523 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446106480 1071461762 /nfs/dbraw/zinc/46/17/62/1071461762.db2.gz BTOCOPUEQGNXFL-HNNXBMFYSA-N 1 0 400.549 -0.379 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446106481 1071461945 /nfs/dbraw/zinc/46/19/45/1071461945.db2.gz BTOCOPUEQGNXFL-OAHLLOKOSA-N 1 0 400.549 -0.379 20 0 HBADRO CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000446106654 1071461904 /nfs/dbraw/zinc/46/19/04/1071461904.db2.gz COOINLGCBUDAAP-GDBMZVCRSA-N 1 0 400.549 -0.525 20 0 HBADRO CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000446106655 1071461808 /nfs/dbraw/zinc/46/18/08/1071461808.db2.gz COOINLGCBUDAAP-GOEBONIOSA-N 1 0 400.549 -0.525 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000446106656 1071461853 /nfs/dbraw/zinc/46/18/53/1071461853.db2.gz COOINLGCBUDAAP-HOCLYGCPSA-N 1 0 400.549 -0.525 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCN(C)CC1 ZINC000446106657 1071461963 /nfs/dbraw/zinc/46/19/63/1071461963.db2.gz COOINLGCBUDAAP-ZBFHGGJFSA-N 1 0 400.549 -0.525 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446143979 1071467825 /nfs/dbraw/zinc/46/78/25/1071467825.db2.gz ANCLAVDKDFAIRA-UHFFFAOYSA-N 1 0 406.487 -0.377 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000446156357 1071468531 /nfs/dbraw/zinc/46/85/31/1071468531.db2.gz NCCXHXBRSHQEKB-DZGCQCFKSA-N 1 0 414.532 -0.854 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000446156358 1071468656 /nfs/dbraw/zinc/46/86/56/1071468656.db2.gz NCCXHXBRSHQEKB-HIFRSBDPSA-N 1 0 414.532 -0.854 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000446156359 1071468572 /nfs/dbraw/zinc/46/85/72/1071468572.db2.gz NCCXHXBRSHQEKB-UKRRQHHQSA-N 1 0 414.532 -0.854 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000446156360 1071468708 /nfs/dbraw/zinc/46/87/08/1071468708.db2.gz NCCXHXBRSHQEKB-ZFWWWQNUSA-N 1 0 414.532 -0.854 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000446161643 1071469553 /nfs/dbraw/zinc/46/95/53/1071469553.db2.gz KUXFYDIPIWWDIB-UHFFFAOYSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000446163228 1071469537 /nfs/dbraw/zinc/46/95/37/1071469537.db2.gz XBDNJWPGXVBYFJ-UHFFFAOYSA-N 1 0 402.455 -0.487 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000446177604 1071471888 /nfs/dbraw/zinc/47/18/88/1071471888.db2.gz QCHDJQQMQOJNKA-CYBMUJFWSA-N 1 0 408.484 -0.161 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000446177605 1071472078 /nfs/dbraw/zinc/47/20/78/1071472078.db2.gz QCHDJQQMQOJNKA-ZDUSSCGKSA-N 1 0 408.484 -0.161 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(O)CCCC(C)(C)C2)cn1 ZINC000446183190 1071472578 /nfs/dbraw/zinc/47/25/78/1071472578.db2.gz KJQJSFBSXRHGDJ-FQEVSTJZSA-N 1 0 422.530 -0.053 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cn1 ZINC000446183194 1071472652 /nfs/dbraw/zinc/47/26/52/1071472652.db2.gz KJQJSFBSXRHGDJ-HXUWFJFHSA-N 1 0 422.530 -0.053 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000446188589 1071472614 /nfs/dbraw/zinc/47/26/14/1071472614.db2.gz LWEYERYZFXZEII-UHFFFAOYSA-N 1 0 419.530 0.562 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446190611 1071470987 /nfs/dbraw/zinc/47/09/87/1071470987.db2.gz FCYQNIUPBMQVLV-AWEZNQCLSA-N 1 0 414.532 -0.901 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446190712 1071470998 /nfs/dbraw/zinc/47/09/98/1071470998.db2.gz FCYQNIUPBMQVLV-CQSZACIVSA-N 1 0 414.532 -0.901 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCCOCC3)ccc2oc1=O ZINC000446225795 1071475130 /nfs/dbraw/zinc/47/51/30/1071475130.db2.gz JAZLDFDIOIKYQI-UHFFFAOYSA-N 1 0 419.482 -0.067 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCc3ncsc3C2)cn1 ZINC000446234897 1071476161 /nfs/dbraw/zinc/47/61/61/1071476161.db2.gz GXSMTQUTAVCQEZ-UHFFFAOYSA-N 1 0 405.484 -0.459 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000446482190 1071494747 /nfs/dbraw/zinc/49/47/47/1071494747.db2.gz PUVXEZFXHBGFEM-UHFFFAOYSA-N 1 0 413.500 -0.054 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 ZINC000446510078 1071497311 /nfs/dbraw/zinc/49/73/11/1071497311.db2.gz HLHICQAVPQMYRT-HNNXBMFYSA-N 1 0 413.496 -0.427 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000446510079 1071497126 /nfs/dbraw/zinc/49/71/26/1071497126.db2.gz HLHICQAVPQMYRT-OAHLLOKOSA-N 1 0 413.496 -0.427 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000446523967 1071500759 /nfs/dbraw/zinc/50/07/59/1071500759.db2.gz WFGPUGIMAOOAHA-HNNXBMFYSA-N 1 0 413.496 -0.427 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000446523968 1071500607 /nfs/dbraw/zinc/50/06/07/1071500607.db2.gz WFGPUGIMAOOAHA-OAHLLOKOSA-N 1 0 413.496 -0.427 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000446529967 1071499423 /nfs/dbraw/zinc/49/94/23/1071499423.db2.gz FTJCFJQNTCBAPT-UHFFFAOYSA-N 1 0 403.483 -0.220 20 0 HBADRO O=C(CCNC(=O)NCC[N@@H+]1CCCOCC1)N1CCN(c2ncccn2)CC1 ZINC000446542142 1071501288 /nfs/dbraw/zinc/50/12/88/1071501288.db2.gz VJKYZOPLBBXHKF-UHFFFAOYSA-N 1 0 405.503 -0.463 20 0 HBADRO COCCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000446547764 1069600570 /nfs/dbraw/zinc/60/05/70/1069600570.db2.gz VODXMHRRRHZNQN-HNNXBMFYSA-N 1 0 421.479 0.258 20 0 HBADRO COCCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000446547768 1071501937 /nfs/dbraw/zinc/50/19/37/1071501937.db2.gz VODXMHRRRHZNQN-OAHLLOKOSA-N 1 0 421.479 0.258 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000446560761 1071501716 /nfs/dbraw/zinc/50/17/16/1071501716.db2.gz YFZJMMPOPMJDDF-LLVKDONJSA-N 1 0 417.251 -0.013 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000446560762 1071501791 /nfs/dbraw/zinc/50/17/91/1071501791.db2.gz YFZJMMPOPMJDDF-NSHDSACASA-N 1 0 417.251 -0.013 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446684011 1071509395 /nfs/dbraw/zinc/50/93/95/1071509395.db2.gz VLZIAJVTJMXEBF-UHFFFAOYSA-N 1 0 414.528 -0.179 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@@H+]3CCCOCC3)CC2)cn1 ZINC000446685060 1071509194 /nfs/dbraw/zinc/50/91/94/1071509194.db2.gz VFZVINWTQWRIHW-UHFFFAOYSA-N 1 0 414.532 -0.405 20 0 HBADRO O=C(NCC[N@@H+]1CCCOCC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000446689509 1071509115 /nfs/dbraw/zinc/50/91/15/1071509115.db2.gz UYZHZMSIIYFYPP-UHFFFAOYSA-N 1 0 419.548 -0.951 20 0 HBADRO CCOc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000446711106 1069634967 /nfs/dbraw/zinc/63/49/67/1069634967.db2.gz KHLIWEVDNZGLLK-UHFFFAOYSA-N 1 0 415.498 0.526 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446716475 1071511609 /nfs/dbraw/zinc/51/16/09/1071511609.db2.gz ZXEJQWHQJUJYKZ-INIZCTEOSA-N 1 0 404.515 0.287 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446716476 1071511740 /nfs/dbraw/zinc/51/17/40/1071511740.db2.gz ZXEJQWHQJUJYKZ-MRXNPFEDSA-N 1 0 404.515 0.287 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446717577 1071511875 /nfs/dbraw/zinc/51/18/75/1071511875.db2.gz UBGZVSVUEFPOSE-INIZCTEOSA-N 1 0 420.514 -0.129 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446717578 1071511586 /nfs/dbraw/zinc/51/15/86/1071511586.db2.gz UBGZVSVUEFPOSE-MRXNPFEDSA-N 1 0 420.514 -0.129 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000446718660 1071511709 /nfs/dbraw/zinc/51/17/09/1071511709.db2.gz ZTRGIXSOODDBQI-UHFFFAOYSA-N 1 0 418.420 0.397 20 0 HBADRO Cc1nsc(N2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000446718802 1069661080 /nfs/dbraw/zinc/66/10/80/1069661080.db2.gz CGOSYFKVUMSIKU-UHFFFAOYSA-N 1 0 406.516 0.282 20 0 HBADRO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cs1 ZINC000446721180 1069651348 /nfs/dbraw/zinc/65/13/48/1069651348.db2.gz ZWBXMVPZQAVNAR-UHFFFAOYSA-N 1 0 405.528 0.493 20 0 HBADRO CCc1cc(N2CCC(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)ncn1 ZINC000446721979 1069650612 /nfs/dbraw/zinc/65/06/12/1069650612.db2.gz ZSQQETQKNLIBEK-UHFFFAOYSA-N 1 0 414.514 0.521 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000446722853 1069608634 /nfs/dbraw/zinc/60/86/34/1069608634.db2.gz KEQWYQQSNGKEIW-GOSISDBHSA-N 1 0 418.542 0.488 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000446722854 1069608181 /nfs/dbraw/zinc/60/81/81/1069608181.db2.gz KEQWYQQSNGKEIW-SFHVURJKSA-N 1 0 418.542 0.488 20 0 HBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)CC1 ZINC000446724294 1071512949 /nfs/dbraw/zinc/51/29/49/1071512949.db2.gz ZMIHCUXWBSBQEU-UHFFFAOYSA-N 1 0 408.503 -0.083 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000446724504 1071513184 /nfs/dbraw/zinc/51/31/84/1071513184.db2.gz AMXKBIAJNIDSHA-UHFFFAOYSA-N 1 0 406.487 -0.472 20 0 HBADRO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)oc1C ZINC000446725070 1069651380 /nfs/dbraw/zinc/65/13/80/1069651380.db2.gz DMPYFKMVGYHTTI-UHFFFAOYSA-N 1 0 403.487 0.332 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)n1 ZINC000446726941 1069545380 /nfs/dbraw/zinc/54/53/80/1069545380.db2.gz SJKVZFNZHXKEJR-UHFFFAOYSA-N 1 0 416.457 0.393 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000446728111 1071512967 /nfs/dbraw/zinc/51/29/67/1071512967.db2.gz MDKGGHSXDOBMKN-AWEZNQCLSA-N 1 0 403.462 0.405 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000446728114 1071513093 /nfs/dbraw/zinc/51/30/93/1071513093.db2.gz MDKGGHSXDOBMKN-CQSZACIVSA-N 1 0 403.462 0.405 20 0 HBADRO CCc1nsc(N2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000446731405 1069658786 /nfs/dbraw/zinc/65/87/86/1069658786.db2.gz HTYVGLHJJLBECR-UHFFFAOYSA-N 1 0 420.543 0.536 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000446732228 1069658725 /nfs/dbraw/zinc/65/87/25/1069658725.db2.gz PPKOUUGOPVPTAR-UHFFFAOYSA-N 1 0 406.516 0.146 20 0 HBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446736417 1071515640 /nfs/dbraw/zinc/51/56/40/1071515640.db2.gz OZKFLLVMWRRTFR-KRWDZBQOSA-N 1 0 420.514 -0.666 20 0 HBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446736418 1071516014 /nfs/dbraw/zinc/51/60/14/1071516014.db2.gz OZKFLLVMWRRTFR-QGZVFWFLSA-N 1 0 420.514 -0.666 20 0 HBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446739786 1071516682 /nfs/dbraw/zinc/51/66/82/1071516682.db2.gz XWLAWRMNTOPEGI-UHFFFAOYSA-N 1 0 400.483 0.548 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CCSC1 ZINC000446740306 1071514214 /nfs/dbraw/zinc/51/42/14/1071514214.db2.gz CGIJRQZPMDOFKR-GOSISDBHSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CCSC1 ZINC000446740307 1071514319 /nfs/dbraw/zinc/51/43/19/1071514319.db2.gz CGIJRQZPMDOFKR-SFHVURJKSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCSC1 ZINC000446741852 1071514453 /nfs/dbraw/zinc/51/44/53/1071514453.db2.gz PCCKNURWUNLHFC-GOSISDBHSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCSC1 ZINC000446741853 1069548795 /nfs/dbraw/zinc/54/87/95/1069548795.db2.gz PCCKNURWUNLHFC-SFHVURJKSA-N 1 0 410.544 -0.293 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446743320 1069550790 /nfs/dbraw/zinc/55/07/90/1069550790.db2.gz ULYXJILKCCKIEO-GOSISDBHSA-N 1 0 418.542 0.344 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446743321 1071515055 /nfs/dbraw/zinc/51/50/55/1071515055.db2.gz ULYXJILKCCKIEO-SFHVURJKSA-N 1 0 418.542 0.344 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446744068 1069598543 /nfs/dbraw/zinc/59/85/43/1069598543.db2.gz IFGNKHXMSLNILV-KRWDZBQOSA-N 1 0 406.531 0.344 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446744069 1069598390 /nfs/dbraw/zinc/59/83/90/1069598390.db2.gz IFGNKHXMSLNILV-QGZVFWFLSA-N 1 0 406.531 0.344 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446747436 1071515684 /nfs/dbraw/zinc/51/56/84/1071515684.db2.gz DNPSQRZIXSAFDU-GOSISDBHSA-N 1 0 418.542 0.535 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446747437 1069608952 /nfs/dbraw/zinc/60/89/52/1069608952.db2.gz DNPSQRZIXSAFDU-SFHVURJKSA-N 1 0 418.542 0.535 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446750323 1069611181 /nfs/dbraw/zinc/61/11/81/1069611181.db2.gz GLIUSYOBDZVZJC-KRWDZBQOSA-N 1 0 406.531 0.344 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446750324 1069611199 /nfs/dbraw/zinc/61/11/99/1069611199.db2.gz GLIUSYOBDZVZJC-QGZVFWFLSA-N 1 0 406.531 0.344 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2C(=O)COc3ccccc32)n1 ZINC000446753482 1069545534 /nfs/dbraw/zinc/54/55/34/1069545534.db2.gz SBJIPLQAQFDOFJ-UHFFFAOYSA-N 1 0 414.466 0.315 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446755224 1069615660 /nfs/dbraw/zinc/61/56/60/1069615660.db2.gz ZALXOUXPASATRO-UHFFFAOYSA-N 1 0 406.531 0.392 20 0 HBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)ncn1 ZINC000446770335 1069650408 /nfs/dbraw/zinc/65/04/08/1069650408.db2.gz UTQSHWLJRKWANP-INIZCTEOSA-N 1 0 414.514 0.521 20 0 HBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)ncn1 ZINC000446770336 1069650540 /nfs/dbraw/zinc/65/05/40/1069650540.db2.gz UTQSHWLJRKWANP-MRXNPFEDSA-N 1 0 414.514 0.521 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446770942 1071517039 /nfs/dbraw/zinc/51/70/39/1071517039.db2.gz XKQCTXLSTKOMIN-UHFFFAOYSA-N 1 0 422.530 -0.277 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000446771845 1071517994 /nfs/dbraw/zinc/51/79/94/1071517994.db2.gz YVFPLHGRZRCFCW-AWEZNQCLSA-N 1 0 404.446 -0.017 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000446771846 1071516916 /nfs/dbraw/zinc/51/69/16/1071516916.db2.gz YVFPLHGRZRCFCW-CQSZACIVSA-N 1 0 404.446 -0.017 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCNC(=O)c2cccc(O)c2)n1 ZINC000446773038 1071517739 /nfs/dbraw/zinc/51/77/39/1071517739.db2.gz AVEBHAQOFXERLS-UHFFFAOYSA-N 1 0 402.455 0.025 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446773129 1069599105 /nfs/dbraw/zinc/59/91/05/1069599105.db2.gz BMCPLJFBIQRDBA-UHFFFAOYSA-N 1 0 406.531 0.392 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 ZINC000446774170 1071517939 /nfs/dbraw/zinc/51/79/39/1071517939.db2.gz FOSKZHGRCYONFU-UHFFFAOYSA-N 1 0 413.482 -0.169 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446774739 1071517951 /nfs/dbraw/zinc/51/79/51/1071517951.db2.gz GYAMPIQSHIKLAB-KRWDZBQOSA-N 1 0 408.503 -0.619 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446774740 1071517787 /nfs/dbraw/zinc/51/77/87/1071517787.db2.gz GYAMPIQSHIKLAB-QGZVFWFLSA-N 1 0 408.503 -0.619 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000446777078 1069545974 /nfs/dbraw/zinc/54/59/74/1069545974.db2.gz NCQZZSXKFBCJQJ-AWEZNQCLSA-N 1 0 402.430 0.444 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000446777079 1071518588 /nfs/dbraw/zinc/51/85/88/1071518588.db2.gz NCQZZSXKFBCJQJ-CQSZACIVSA-N 1 0 402.430 0.444 20 0 HBADRO COc1ccc(-c2nnc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[nH]2)cc1 ZINC000446777094 1069631960 /nfs/dbraw/zinc/63/19/60/1069631960.db2.gz NGUMNKLCRFAHNC-UHFFFAOYSA-N 1 0 412.454 0.493 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000446777724 1071520617 /nfs/dbraw/zinc/52/06/17/1071520617.db2.gz SNPQUGDRVOPECL-AWEZNQCLSA-N 1 0 417.445 0.109 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000446777727 1069641081 /nfs/dbraw/zinc/64/10/81/1069641081.db2.gz SNPQUGDRVOPECL-CQSZACIVSA-N 1 0 417.445 0.109 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446778941 1069649177 /nfs/dbraw/zinc/64/91/77/1069649177.db2.gz YEFKXOSYGBHIEL-KRWDZBQOSA-N 1 0 406.531 0.535 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446778944 1069644671 /nfs/dbraw/zinc/64/46/71/1069644671.db2.gz YEFKXOSYGBHIEL-QGZVFWFLSA-N 1 0 406.531 0.535 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446779991 1069566923 /nfs/dbraw/zinc/56/69/23/1069566923.db2.gz FJYSSGAJGHHALX-KRWDZBQOSA-N 1 0 406.531 0.390 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446779992 1069567589 /nfs/dbraw/zinc/56/75/89/1069567589.db2.gz FJYSSGAJGHHALX-QGZVFWFLSA-N 1 0 406.531 0.390 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)n1 ZINC000446781005 1071520457 /nfs/dbraw/zinc/52/04/57/1071520457.db2.gz QPKSNFIVLLSGCR-AWEZNQCLSA-N 1 0 420.901 0.497 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)n1 ZINC000446781006 1071520302 /nfs/dbraw/zinc/52/03/02/1071520302.db2.gz QPKSNFIVLLSGCR-CQSZACIVSA-N 1 0 420.901 0.497 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCNC(=O)c2cccc(F)c2)n1 ZINC000446784534 1071521934 /nfs/dbraw/zinc/52/19/34/1071521934.db2.gz IJICPIPHGOTUDP-UHFFFAOYSA-N 1 0 404.446 0.459 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446787078 1069591545 /nfs/dbraw/zinc/59/15/45/1069591545.db2.gz XAQKBEFDILWNPE-UHFFFAOYSA-N 1 0 406.531 0.535 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)n1 ZINC000446787118 1071521885 /nfs/dbraw/zinc/52/18/85/1071521885.db2.gz SIQKKGUWGJVFLV-UHFFFAOYSA-N 1 0 408.409 0.208 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)n1 ZINC000446788202 1071519046 /nfs/dbraw/zinc/51/90/46/1071519046.db2.gz VVDYVMOYORUXER-UHFFFAOYSA-N 1 0 408.400 0.428 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1C ZINC000446798341 1069617233 /nfs/dbraw/zinc/61/72/33/1069617233.db2.gz ZTLDZPLHTAAEKS-DLBZAZTESA-N 1 0 406.531 0.485 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1C ZINC000446798342 1069617136 /nfs/dbraw/zinc/61/71/36/1069617136.db2.gz ZTLDZPLHTAAEKS-IAGOWNOFSA-N 1 0 406.531 0.485 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1C ZINC000446798343 1069617272 /nfs/dbraw/zinc/61/72/72/1069617272.db2.gz ZTLDZPLHTAAEKS-IRXDYDNUSA-N 1 0 406.531 0.485 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1C ZINC000446798344 1069617320 /nfs/dbraw/zinc/61/73/20/1069617320.db2.gz ZTLDZPLHTAAEKS-SJORKVTESA-N 1 0 406.531 0.485 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@H]21 ZINC000446799435 1069554333 /nfs/dbraw/zinc/55/43/33/1069554333.db2.gz NXBMJZIRUVKKBO-DLBZAZTESA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@H]21 ZINC000446799436 1071523927 /nfs/dbraw/zinc/52/39/27/1071523927.db2.gz NXBMJZIRUVKKBO-IAGOWNOFSA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@@H]21 ZINC000446799437 1069554101 /nfs/dbraw/zinc/55/41/01/1069554101.db2.gz NXBMJZIRUVKKBO-IRXDYDNUSA-N 1 0 404.515 0.097 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@@H]21 ZINC000446799438 1069554275 /nfs/dbraw/zinc/55/42/75/1069554275.db2.gz NXBMJZIRUVKKBO-SJORKVTESA-N 1 0 404.515 0.097 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000446799869 1071523997 /nfs/dbraw/zinc/52/39/97/1071523997.db2.gz SNVFALQSMOVVFM-UHFFFAOYSA-N 1 0 419.530 -0.415 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 ZINC000446800736 1071523887 /nfs/dbraw/zinc/52/38/87/1071523887.db2.gz YHLGAQSAWZWMLS-AWEZNQCLSA-N 1 0 408.528 -0.050 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n1 ZINC000446800737 1071524077 /nfs/dbraw/zinc/52/40/77/1071524077.db2.gz YHLGAQSAWZWMLS-CQSZACIVSA-N 1 0 408.528 -0.050 20 0 HBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446804227 1069544487 /nfs/dbraw/zinc/54/44/87/1069544487.db2.gz QEUOZNYQUWERJF-UHFFFAOYSA-N 1 0 418.498 0.337 20 0 HBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000446805371 1071525399 /nfs/dbraw/zinc/52/53/99/1071525399.db2.gz CSNZMLVUGZLBNN-AWEZNQCLSA-N 1 0 414.466 0.314 20 0 HBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000446805372 1069649923 /nfs/dbraw/zinc/64/99/23/1069649923.db2.gz CSNZMLVUGZLBNN-CQSZACIVSA-N 1 0 414.466 0.314 20 0 HBADRO Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)nc(C)n1 ZINC000446809055 1069575922 /nfs/dbraw/zinc/57/59/22/1069575922.db2.gz OZJLFOAMJCUZJL-UHFFFAOYSA-N 1 0 414.514 0.575 20 0 HBADRO O=C(NC[C@@H](O)CO)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000446812066 1071522728 /nfs/dbraw/zinc/52/27/28/1071522728.db2.gz GZYRCASDFTZECN-GOSISDBHSA-N 1 0 413.478 -0.188 20 0 HBADRO O=C(NC[C@H](O)CO)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000446812067 1071522550 /nfs/dbraw/zinc/52/25/50/1071522550.db2.gz GZYRCASDFTZECN-SFHVURJKSA-N 1 0 413.478 -0.188 20 0 HBADRO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000446812956 1071522614 /nfs/dbraw/zinc/52/26/14/1071522614.db2.gz NFEUPFBRKUBRLM-UHFFFAOYSA-N 1 0 405.455 -0.017 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)n1 ZINC000446813373 1071523192 /nfs/dbraw/zinc/52/31/92/1071523192.db2.gz PWIOWVZSBGINSC-UHFFFAOYSA-N 1 0 411.528 0.343 20 0 HBADRO COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)nn2)cc1 ZINC000446813446 1071523346 /nfs/dbraw/zinc/52/33/46/1071523346.db2.gz GLBPEXDFCYVHDU-UHFFFAOYSA-N 1 0 412.454 0.289 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000446817635 1069545614 /nfs/dbraw/zinc/54/56/14/1069545614.db2.gz JCDOPAOIBGADMI-HNNXBMFYSA-N 1 0 402.455 0.284 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000446817636 1071523974 /nfs/dbraw/zinc/52/39/74/1071523974.db2.gz JCDOPAOIBGADMI-OAHLLOKOSA-N 1 0 402.455 0.284 20 0 HBADRO CCN(C(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446844579 1069609513 /nfs/dbraw/zinc/60/95/13/1069609513.db2.gz HTANPNFEBPMIQK-INIZCTEOSA-N 1 0 413.482 0.086 20 0 HBADRO CCN(C(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446844580 1069609354 /nfs/dbraw/zinc/60/93/54/1069609354.db2.gz HTANPNFEBPMIQK-MRXNPFEDSA-N 1 0 413.482 0.086 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000446874891 1069540810 /nfs/dbraw/zinc/54/08/10/1069540810.db2.gz XWLOLZJYPGTUBP-INIZCTEOSA-N 1 0 413.482 0.038 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000446874894 1069540653 /nfs/dbraw/zinc/54/06/53/1069540653.db2.gz XWLOLZJYPGTUBP-MRXNPFEDSA-N 1 0 413.482 0.038 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000446895626 1071530098 /nfs/dbraw/zinc/53/00/98/1071530098.db2.gz DSTYLQUIDXZPDJ-UHFFFAOYSA-N 1 0 419.461 0.034 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000446919928 1071532353 /nfs/dbraw/zinc/53/23/53/1071532353.db2.gz JTNZQMQYTYLUJZ-UHFFFAOYSA-N 1 0 420.433 0.049 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000446920582 1071533200 /nfs/dbraw/zinc/53/32/00/1071533200.db2.gz NIMNPHQRGWFOPC-GOSISDBHSA-N 1 0 407.496 -0.548 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000446920583 1071532998 /nfs/dbraw/zinc/53/29/98/1071532998.db2.gz NIMNPHQRGWFOPC-SFHVURJKSA-N 1 0 407.496 -0.548 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc21 ZINC000446925291 1071532982 /nfs/dbraw/zinc/53/29/82/1071532982.db2.gz NSGXBMLSJMONJW-BYCMXARLSA-N 1 0 423.495 -0.094 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc21 ZINC000446925292 1071533080 /nfs/dbraw/zinc/53/30/80/1071533080.db2.gz NSGXBMLSJMONJW-DFBGVHRSSA-N 1 0 423.495 -0.094 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc21 ZINC000446925293 1071533115 /nfs/dbraw/zinc/53/31/15/1071533115.db2.gz NSGXBMLSJMONJW-KCPJHIHWSA-N 1 0 423.495 -0.094 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc21 ZINC000446925294 1071533189 /nfs/dbraw/zinc/53/31/89/1071533189.db2.gz NSGXBMLSJMONJW-UGFHNGPFSA-N 1 0 423.495 -0.094 20 0 HBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)sc1S(N)(=O)=O ZINC000446965258 1071535534 /nfs/dbraw/zinc/53/55/34/1071535534.db2.gz LZLYSOIGWHWMBM-JTQLQIEISA-N 1 0 404.514 -0.279 20 0 HBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)sc1S(N)(=O)=O ZINC000446965259 1071536369 /nfs/dbraw/zinc/53/63/69/1071536369.db2.gz LZLYSOIGWHWMBM-SNVBAGLBSA-N 1 0 404.514 -0.279 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)sc1S(N)(=O)=O ZINC000446966625 1071536222 /nfs/dbraw/zinc/53/62/22/1071536222.db2.gz OUIQEXKHPGKTGE-UHFFFAOYSA-N 1 0 416.525 -0.216 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(I)cn2)C1 ZINC000447000576 1071538008 /nfs/dbraw/zinc/53/80/08/1071538008.db2.gz MABHFEZPVGEWRR-CYBMUJFWSA-N 1 0 404.208 -0.193 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(I)cn2)C1 ZINC000447000578 1071538049 /nfs/dbraw/zinc/53/80/49/1071538049.db2.gz MABHFEZPVGEWRR-ZDUSSCGKSA-N 1 0 404.208 -0.193 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000447018182 1071539817 /nfs/dbraw/zinc/53/98/17/1071539817.db2.gz RXXHTZMYQFYEBX-UHFFFAOYSA-N 1 0 422.511 -0.211 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447044247 1071539719 /nfs/dbraw/zinc/53/97/19/1071539719.db2.gz JLAHILXMWYGHSH-UHFFFAOYSA-N 1 0 405.499 -0.136 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCNS(=O)(=O)CC)cn2)CC1 ZINC000447189246 1071550727 /nfs/dbraw/zinc/55/07/27/1071550727.db2.gz AISURJYWVOLJFL-UHFFFAOYSA-N 1 0 419.573 -0.418 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000447190420 1071550659 /nfs/dbraw/zinc/55/06/59/1071550659.db2.gz IJXLLEYKYXODJN-HOTGVXAUSA-N 1 0 410.606 -0.254 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000447190423 1071550606 /nfs/dbraw/zinc/55/06/06/1071550606.db2.gz IJXLLEYKYXODJN-HZPDHXFCSA-N 1 0 410.606 -0.254 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000447190425 1071550713 /nfs/dbraw/zinc/55/07/13/1071550713.db2.gz IJXLLEYKYXODJN-IYBDPMFKSA-N 1 0 410.606 -0.254 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000447192488 1071551358 /nfs/dbraw/zinc/55/13/58/1071551358.db2.gz LHVVEZMFPAKLJM-UHFFFAOYSA-N 1 0 405.546 -0.808 20 0 HBADRO COC(=O)c1nscc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000447196270 1071551806 /nfs/dbraw/zinc/55/18/06/1071551806.db2.gz ZCTLSJXJFUHBFM-UHFFFAOYSA-N 1 0 402.498 -0.142 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000447199118 1071554022 /nfs/dbraw/zinc/55/40/22/1071554022.db2.gz JKLLKFBUMWZAEM-UHFFFAOYSA-N 1 0 418.585 -0.207 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000447202933 1068963796 /nfs/dbraw/zinc/96/37/96/1068963796.db2.gz JILAVQVVOLAOBX-UHFFFAOYSA-N 1 0 405.546 -0.808 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000447203586 1071554387 /nfs/dbraw/zinc/55/43/87/1071554387.db2.gz MRNAQHOGQCUFHA-UHFFFAOYSA-N 1 0 420.557 -0.663 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000447204073 1068963719 /nfs/dbraw/zinc/96/37/19/1068963719.db2.gz QBIOFTSLSUNJAX-UHFFFAOYSA-N 1 0 418.585 -0.337 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000447205108 1068964133 /nfs/dbraw/zinc/96/41/33/1068964133.db2.gz XLMRSFLMXUMVRM-UHFFFAOYSA-N 1 0 419.573 -0.548 20 0 HBADRO OC1(C[NH+]2CCOCC2)CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447300467 1068970538 /nfs/dbraw/zinc/97/05/38/1068970538.db2.gz XVIKGQKILMHQNQ-UHFFFAOYSA-N 1 0 408.425 -0.089 20 0 HBADRO CCOC(=O)C1(O)CCN(CC(O)C[NH+]2CCC(O)(C(=O)OCC)CC2)CC1 ZINC000447311043 1068969856 /nfs/dbraw/zinc/96/98/56/1068969856.db2.gz DTWFNGNBDSQPAH-UHFFFAOYSA-N 1 0 402.488 -0.873 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447313772 1068970259 /nfs/dbraw/zinc/97/02/59/1068970259.db2.gz SECQEBNCRPLJEZ-CYBMUJFWSA-N 1 0 405.425 -0.010 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447313775 1068970203 /nfs/dbraw/zinc/97/02/03/1068970203.db2.gz SECQEBNCRPLJEZ-ZDUSSCGKSA-N 1 0 405.425 -0.010 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447346459 1068971817 /nfs/dbraw/zinc/97/18/17/1068971817.db2.gz WLQYGMCVUFIPLA-UHFFFAOYSA-N 1 0 405.425 -0.008 20 0 HBADRO COCC[C@]1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447379114 1068974402 /nfs/dbraw/zinc/97/44/02/1068974402.db2.gz BIBYHKXHTSSYPB-BQFCYCMXSA-N 1 0 404.529 -0.034 20 0 HBADRO COCC[C@]1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447379117 1068974361 /nfs/dbraw/zinc/97/43/61/1068974361.db2.gz BIBYHKXHTSSYPB-JZXOWHBKSA-N 1 0 404.529 -0.034 20 0 HBADRO COCC[C@]1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447379119 1068974442 /nfs/dbraw/zinc/97/44/42/1068974442.db2.gz BIBYHKXHTSSYPB-NUJGCVRESA-N 1 0 404.529 -0.034 20 0 HBADRO COCC[C@]1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447379121 1068974472 /nfs/dbraw/zinc/97/44/72/1068974472.db2.gz BIBYHKXHTSSYPB-RYRKJORJSA-N 1 0 404.529 -0.034 20 0 HBADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447385551 1068974458 /nfs/dbraw/zinc/97/44/58/1068974458.db2.gz OGVJHVCNYMMGEZ-MSOLQXFVSA-N 1 0 407.515 -0.139 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447385552 1068974386 /nfs/dbraw/zinc/97/43/86/1068974386.db2.gz OGVJHVCNYMMGEZ-QZTJIDSGSA-N 1 0 407.515 -0.139 20 0 HBADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447385553 1068974115 /nfs/dbraw/zinc/97/41/15/1068974115.db2.gz OGVJHVCNYMMGEZ-ROUUACIJSA-N 1 0 407.515 -0.139 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447385554 1068974280 /nfs/dbraw/zinc/97/42/80/1068974280.db2.gz OGVJHVCNYMMGEZ-ZWKOTPCHSA-N 1 0 407.515 -0.139 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447395322 1068975590 /nfs/dbraw/zinc/97/55/90/1068975590.db2.gz JTAVPCRWPWCRQY-FGTMMUONSA-N 1 0 407.515 -0.141 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447395328 1068975880 /nfs/dbraw/zinc/97/58/80/1068975880.db2.gz JTAVPCRWPWCRQY-KZNAEPCWSA-N 1 0 407.515 -0.141 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447395331 1068976027 /nfs/dbraw/zinc/97/60/27/1068976027.db2.gz JTAVPCRWPWCRQY-OKZBNKHCSA-N 1 0 407.515 -0.141 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000447395333 1068976293 /nfs/dbraw/zinc/97/62/93/1068976293.db2.gz JTAVPCRWPWCRQY-RCCFBDPRSA-N 1 0 407.515 -0.141 20 0 HBADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000447405126 1068977037 /nfs/dbraw/zinc/97/70/37/1068977037.db2.gz WOVFMBYTJMXPFT-CABCVRRESA-N 1 0 409.487 -0.830 20 0 HBADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000447405128 1068976929 /nfs/dbraw/zinc/97/69/29/1068976929.db2.gz WOVFMBYTJMXPFT-GJZGRUSLSA-N 1 0 409.487 -0.830 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000447405129 1068976763 /nfs/dbraw/zinc/97/67/63/1068976763.db2.gz WOVFMBYTJMXPFT-HUUCEWRRSA-N 1 0 409.487 -0.830 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000447405130 1068976670 /nfs/dbraw/zinc/97/66/70/1068976670.db2.gz WOVFMBYTJMXPFT-LSDHHAIUSA-N 1 0 409.487 -0.830 20 0 HBADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000447412842 1068978901 /nfs/dbraw/zinc/97/89/01/1068978901.db2.gz IUNNCAGAPGDFPG-UHFFFAOYSA-N 1 0 404.515 0.144 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)cnc2n(C)c1=O ZINC000447416020 1068979475 /nfs/dbraw/zinc/97/94/75/1068979475.db2.gz DGPMKRBJHWBFHU-UHFFFAOYSA-N 1 0 414.466 -0.439 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@@H+]3CCCC(C)(C)C3)cnc2n(C)c1=O ZINC000447418172 1068979539 /nfs/dbraw/zinc/97/95/39/1068979539.db2.gz MGGBGNYZOFSRCT-UHFFFAOYSA-N 1 0 416.482 -0.191 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1 ZINC000447420557 1068979419 /nfs/dbraw/zinc/97/94/19/1068979419.db2.gz BMJYUUMOMNWMHP-UHFFFAOYSA-N 1 0 408.503 -0.178 20 0 HBADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000447423474 1068980087 /nfs/dbraw/zinc/98/00/87/1068980087.db2.gz QNIOWRMMBLXLEQ-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000447429336 1068978093 /nfs/dbraw/zinc/97/80/93/1068978093.db2.gz XDMUIOVTSLFVDW-UHFFFAOYSA-N 1 0 406.531 0.392 20 0 HBADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000447432075 1068978947 /nfs/dbraw/zinc/97/89/47/1068978947.db2.gz RLLDADNWZYHBMV-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000447432232 1068978814 /nfs/dbraw/zinc/97/88/14/1068978814.db2.gz SNHUXWTUKPMPOM-UHFFFAOYSA-N 1 0 421.523 -0.029 20 0 HBADRO CN1CCC2(CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)C1=O ZINC000447433053 1068981352 /nfs/dbraw/zinc/98/13/52/1068981352.db2.gz YTXIJDRGTZPMSS-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447460346 1068981259 /nfs/dbraw/zinc/98/12/59/1068981259.db2.gz KRTQYLLBBYZSMW-GDBMZVCRSA-N 1 0 403.439 0.078 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447460348 1068981319 /nfs/dbraw/zinc/98/13/19/1068981319.db2.gz KRTQYLLBBYZSMW-GOEBONIOSA-N 1 0 403.439 0.078 20 0 HBADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447460350 1068981585 /nfs/dbraw/zinc/98/15/85/1068981585.db2.gz KRTQYLLBBYZSMW-HOCLYGCPSA-N 1 0 403.439 0.078 20 0 HBADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447460354 1068981415 /nfs/dbraw/zinc/98/14/15/1068981415.db2.gz KRTQYLLBBYZSMW-ZBFHGGJFSA-N 1 0 403.439 0.078 20 0 HBADRO Cc1cc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1S(N)(=O)=O ZINC000447461125 1069574493 /nfs/dbraw/zinc/57/44/93/1069574493.db2.gz MCGIGZSGCHDDAD-UHFFFAOYSA-N 1 0 414.447 0.478 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000447472637 1068983887 /nfs/dbraw/zinc/98/38/87/1068983887.db2.gz RAELYVKSEHJVIM-UHFFFAOYSA-N 1 0 412.494 0.297 20 0 HBADRO CO[C@H]1C[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)N(S(C)(=O)=O)C1 ZINC000447503216 1068985785 /nfs/dbraw/zinc/98/57/85/1068985785.db2.gz ZXTDEPWYWIEVRX-BHYGNILZSA-N 1 0 415.512 -0.025 20 0 HBADRO CO[C@H]1C[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)N(S(C)(=O)=O)C1 ZINC000447503217 1068986039 /nfs/dbraw/zinc/98/60/39/1068986039.db2.gz ZXTDEPWYWIEVRX-HYVNUMGLSA-N 1 0 415.512 -0.025 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447750503 1069002862 /nfs/dbraw/zinc/00/28/62/1069002862.db2.gz KGEWUPPRNLCGJH-UHFFFAOYSA-N 1 0 412.578 -0.916 20 0 HBADRO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000447752211 1069003337 /nfs/dbraw/zinc/00/33/37/1069003337.db2.gz FIJAUKQTVIMRJL-HNNXBMFYSA-N 1 0 410.606 -0.302 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000447752215 1069003199 /nfs/dbraw/zinc/00/31/99/1069003199.db2.gz FIJAUKQTVIMRJL-OAHLLOKOSA-N 1 0 410.606 -0.302 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000447755860 1069004136 /nfs/dbraw/zinc/00/41/36/1069004136.db2.gz VDTIYOABQCQKEF-CVEARBPZSA-N 1 0 410.606 -0.445 20 0 HBADRO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000447756061 1069004532 /nfs/dbraw/zinc/00/45/32/1069004532.db2.gz VDTIYOABQCQKEF-HOTGVXAUSA-N 1 0 410.606 -0.445 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000447756062 1069004401 /nfs/dbraw/zinc/00/44/01/1069004401.db2.gz VDTIYOABQCQKEF-HZPDHXFCSA-N 1 0 410.606 -0.445 20 0 HBADRO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000447756063 1069004176 /nfs/dbraw/zinc/00/41/76/1069004176.db2.gz VDTIYOABQCQKEF-JKSUJKDBSA-N 1 0 410.606 -0.445 20 0 HBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447759082 1069003435 /nfs/dbraw/zinc/00/34/35/1069003435.db2.gz PKTKXICZUOCQFW-UHFFFAOYSA-N 1 0 413.562 -0.538 20 0 HBADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC2)c1 ZINC000447761415 1069005671 /nfs/dbraw/zinc/00/56/71/1069005671.db2.gz VNRDYMIDOPUAQT-UHFFFAOYSA-N 1 0 406.530 -0.177 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000447762670 1069005526 /nfs/dbraw/zinc/00/55/26/1069005526.db2.gz AUOLJWKUFFCVJZ-UHFFFAOYSA-N 1 0 424.633 -0.053 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000447765000 1069006313 /nfs/dbraw/zinc/00/63/13/1069006313.db2.gz NSYBMZYQMNQTAB-KSZLIROESA-N 1 0 414.547 -0.016 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000447765001 1069006547 /nfs/dbraw/zinc/00/65/47/1069006547.db2.gz NSYBMZYQMNQTAB-KURKYZTESA-N 1 0 414.547 -0.016 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000447765002 1069006423 /nfs/dbraw/zinc/00/64/23/1069006423.db2.gz NSYBMZYQMNQTAB-KZNAEPCWSA-N 1 0 414.547 -0.016 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000447765003 1069006204 /nfs/dbraw/zinc/00/62/04/1069006204.db2.gz NSYBMZYQMNQTAB-RCCFBDPRSA-N 1 0 414.547 -0.016 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447765009 1069006241 /nfs/dbraw/zinc/00/62/41/1069006241.db2.gz NUTIEWYHTMUNCU-BRWVUGGUSA-N 1 0 400.520 -0.371 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447765010 1069006270 /nfs/dbraw/zinc/00/62/70/1069006270.db2.gz NUTIEWYHTMUNCU-GVDBMIGSSA-N 1 0 400.520 -0.371 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447765011 1069006381 /nfs/dbraw/zinc/00/63/81/1069006381.db2.gz NUTIEWYHTMUNCU-IXDOHACOSA-N 1 0 400.520 -0.371 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447765012 1069006517 /nfs/dbraw/zinc/00/65/17/1069006517.db2.gz NUTIEWYHTMUNCU-YESZJQIVSA-N 1 0 400.520 -0.371 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000447774235 1069008284 /nfs/dbraw/zinc/00/82/84/1069008284.db2.gz ZXFSIEAYTQYRNK-KRWDZBQOSA-N 1 0 419.569 -0.176 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000447774236 1069008957 /nfs/dbraw/zinc/00/89/57/1069008957.db2.gz ZXFSIEAYTQYRNK-QGZVFWFLSA-N 1 0 419.569 -0.176 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000447790555 1069011847 /nfs/dbraw/zinc/01/18/47/1069011847.db2.gz XYVVLPRAJVKWLR-UHFFFAOYSA-N 1 0 419.573 -0.466 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000447791627 1069011687 /nfs/dbraw/zinc/01/16/87/1069011687.db2.gz LREWUROUKRYIPD-UHFFFAOYSA-N 1 0 419.573 -0.466 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000447872342 1069014198 /nfs/dbraw/zinc/01/41/98/1069014198.db2.gz DKIVDQONKNDAAY-AWEZNQCLSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447872347 1069014134 /nfs/dbraw/zinc/01/41/34/1069014134.db2.gz DKIVDQONKNDAAY-CQSZACIVSA-N 1 0 400.501 -0.173 20 0 HBADRO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000447900448 1069019052 /nfs/dbraw/zinc/01/90/52/1069019052.db2.gz CEEXRXVEZLGLEE-GOSISDBHSA-N 1 0 418.494 -0.297 20 0 HBADRO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000447900449 1069019372 /nfs/dbraw/zinc/01/93/72/1069019372.db2.gz CEEXRXVEZLGLEE-SFHVURJKSA-N 1 0 418.494 -0.297 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447901611 1069019434 /nfs/dbraw/zinc/01/94/34/1069019434.db2.gz CKOFGUNRSNYFNY-DLBZAZTESA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447901612 1069019558 /nfs/dbraw/zinc/01/95/58/1069019558.db2.gz CKOFGUNRSNYFNY-IAGOWNOFSA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447901613 1069019203 /nfs/dbraw/zinc/01/92/03/1069019203.db2.gz CKOFGUNRSNYFNY-IRXDYDNUSA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447901614 1069019297 /nfs/dbraw/zinc/01/92/97/1069019297.db2.gz CKOFGUNRSNYFNY-SJORKVTESA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000447908057 1069015898 /nfs/dbraw/zinc/01/58/98/1069015898.db2.gz BECKKJAJWKZSNS-DLBZAZTESA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000447908058 1069015771 /nfs/dbraw/zinc/01/57/71/1069015771.db2.gz BECKKJAJWKZSNS-IAGOWNOFSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000447908059 1069016034 /nfs/dbraw/zinc/01/60/34/1069016034.db2.gz BECKKJAJWKZSNS-IRXDYDNUSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000447908060 1069015807 /nfs/dbraw/zinc/01/58/07/1069015807.db2.gz BECKKJAJWKZSNS-SJORKVTESA-N 1 0 415.487 -0.212 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447914538 1069017680 /nfs/dbraw/zinc/01/76/80/1069017680.db2.gz LELOAGDVPIINLY-CABCVRRESA-N 1 0 416.500 -0.746 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447914540 1069017629 /nfs/dbraw/zinc/01/76/29/1069017629.db2.gz LELOAGDVPIINLY-GJZGRUSLSA-N 1 0 416.500 -0.746 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000447914542 1069017812 /nfs/dbraw/zinc/01/78/12/1069017812.db2.gz LELOAGDVPIINLY-HUUCEWRRSA-N 1 0 416.500 -0.746 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447914543 1069017404 /nfs/dbraw/zinc/01/74/04/1069017404.db2.gz LELOAGDVPIINLY-LSDHHAIUSA-N 1 0 416.500 -0.746 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000447915279 1069017256 /nfs/dbraw/zinc/01/72/56/1069017256.db2.gz RBOLDHZYEBHTBV-CVEARBPZSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000447915281 1069016901 /nfs/dbraw/zinc/01/69/01/1069016901.db2.gz RBOLDHZYEBHTBV-HOTGVXAUSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000447915283 1069017194 /nfs/dbraw/zinc/01/71/94/1069017194.db2.gz RBOLDHZYEBHTBV-HZPDHXFCSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000447915285 1069016998 /nfs/dbraw/zinc/01/69/98/1069016998.db2.gz RBOLDHZYEBHTBV-JKSUJKDBSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447916539 1069017454 /nfs/dbraw/zinc/01/74/54/1069017454.db2.gz VTJBMAZOEBUBOD-DLBZAZTESA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447916541 1069017874 /nfs/dbraw/zinc/01/78/74/1069017874.db2.gz VTJBMAZOEBUBOD-IAGOWNOFSA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447916543 1069017607 /nfs/dbraw/zinc/01/76/07/1069017607.db2.gz VTJBMAZOEBUBOD-IRXDYDNUSA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447916545 1069017837 /nfs/dbraw/zinc/01/78/37/1069017837.db2.gz VTJBMAZOEBUBOD-SJORKVTESA-N 1 0 413.496 -0.225 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000447920690 1069018090 /nfs/dbraw/zinc/01/80/90/1069018090.db2.gz IAEVJZQGPOMDBI-GJYPPUQNSA-N 1 0 419.478 -0.373 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000447920691 1069018306 /nfs/dbraw/zinc/01/83/06/1069018306.db2.gz IAEVJZQGPOMDBI-GPMSIDNRSA-N 1 0 419.478 -0.373 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000447920692 1069018532 /nfs/dbraw/zinc/01/85/32/1069018532.db2.gz IAEVJZQGPOMDBI-JTDSTZFVSA-N 1 0 419.478 -0.373 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000447920693 1069018811 /nfs/dbraw/zinc/01/88/11/1069018811.db2.gz IAEVJZQGPOMDBI-MDZRGWNJSA-N 1 0 419.478 -0.373 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000447922390 1069018501 /nfs/dbraw/zinc/01/85/01/1069018501.db2.gz OVSZOKYZZLEHCW-DLBZAZTESA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000447922391 1069018787 /nfs/dbraw/zinc/01/87/87/1069018787.db2.gz OVSZOKYZZLEHCW-IAGOWNOFSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000447922392 1069018899 /nfs/dbraw/zinc/01/88/99/1069018899.db2.gz OVSZOKYZZLEHCW-IRXDYDNUSA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000447922394 1069018665 /nfs/dbraw/zinc/01/86/65/1069018665.db2.gz OVSZOKYZZLEHCW-SJORKVTESA-N 1 0 415.487 -0.212 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000447924493 1069021627 /nfs/dbraw/zinc/02/16/27/1069021627.db2.gz WEJXUNAYGNMVOW-MSOLQXFVSA-N 1 0 411.524 -0.210 20 0 HBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000447924497 1069021591 /nfs/dbraw/zinc/02/15/91/1069021591.db2.gz WEJXUNAYGNMVOW-QZTJIDSGSA-N 1 0 411.524 -0.210 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000447924499 1069021650 /nfs/dbraw/zinc/02/16/50/1069021650.db2.gz WEJXUNAYGNMVOW-ROUUACIJSA-N 1 0 411.524 -0.210 20 0 HBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000447924501 1069021469 /nfs/dbraw/zinc/02/14/69/1069021469.db2.gz WEJXUNAYGNMVOW-ZWKOTPCHSA-N 1 0 411.524 -0.210 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000448031443 1069025978 /nfs/dbraw/zinc/02/59/78/1069025978.db2.gz QDCBQXYSBSKVDU-INIZCTEOSA-N 1 0 409.531 -0.181 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000448031444 1069026044 /nfs/dbraw/zinc/02/60/44/1069026044.db2.gz QDCBQXYSBSKVDU-MRXNPFEDSA-N 1 0 409.531 -0.181 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000448044970 1068766057 /nfs/dbraw/zinc/76/60/57/1068766057.db2.gz YKXTYBFQHCOYBF-AWEZNQCLSA-N 1 0 407.519 -0.221 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000448044971 1069026639 /nfs/dbraw/zinc/02/66/39/1069026639.db2.gz YKXTYBFQHCOYBF-CQSZACIVSA-N 1 0 407.519 -0.221 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448166831 1069030232 /nfs/dbraw/zinc/03/02/32/1069030232.db2.gz XISKLYRRISEMGF-GDBMZVCRSA-N 1 0 406.574 -0.243 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448166832 1069030122 /nfs/dbraw/zinc/03/01/22/1069030122.db2.gz XISKLYRRISEMGF-GOEBONIOSA-N 1 0 406.574 -0.243 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448166833 1069029959 /nfs/dbraw/zinc/02/99/59/1069029959.db2.gz XISKLYRRISEMGF-HOCLYGCPSA-N 1 0 406.574 -0.243 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448166834 1069029923 /nfs/dbraw/zinc/02/99/23/1069029923.db2.gz XISKLYRRISEMGF-ZBFHGGJFSA-N 1 0 406.574 -0.243 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)c(=O)n2C ZINC000448198427 1069031372 /nfs/dbraw/zinc/03/13/72/1069031372.db2.gz JHMIGSDLQFGFQG-DZGCQCFKSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)c(=O)n2C ZINC000448198428 1069031082 /nfs/dbraw/zinc/03/10/82/1069031082.db2.gz JHMIGSDLQFGFQG-HIFRSBDPSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)c(=O)n2C ZINC000448198429 1068924299 /nfs/dbraw/zinc/92/42/99/1068924299.db2.gz JHMIGSDLQFGFQG-UKRRQHHQSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)c(=O)n2C ZINC000448198430 1069031315 /nfs/dbraw/zinc/03/13/15/1069031315.db2.gz JHMIGSDLQFGFQG-ZFWWWQNUSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000448203601 1069033235 /nfs/dbraw/zinc/03/32/35/1069033235.db2.gz YGPFWSIRBCIRAJ-DZGCQCFKSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000448203602 1069033175 /nfs/dbraw/zinc/03/31/75/1069033175.db2.gz YGPFWSIRBCIRAJ-HIFRSBDPSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000448203603 1069033293 /nfs/dbraw/zinc/03/32/93/1069033293.db2.gz YGPFWSIRBCIRAJ-UKRRQHHQSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000448203604 1069033324 /nfs/dbraw/zinc/03/33/24/1069033324.db2.gz YGPFWSIRBCIRAJ-ZFWWWQNUSA-N 1 0 400.483 -0.091 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448214454 1068925955 /nfs/dbraw/zinc/92/59/55/1068925955.db2.gz SWEMNMJMARECJI-INIZCTEOSA-N 1 0 412.560 -0.067 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448214456 1069032405 /nfs/dbraw/zinc/03/24/05/1069032405.db2.gz SWEMNMJMARECJI-MRXNPFEDSA-N 1 0 412.560 -0.067 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000448226057 1069034488 /nfs/dbraw/zinc/03/44/88/1069034488.db2.gz XPPVTGHFJNBOJQ-AWEZNQCLSA-N 1 0 412.516 -0.754 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000448226058 1069034864 /nfs/dbraw/zinc/03/48/64/1069034864.db2.gz XPPVTGHFJNBOJQ-CQSZACIVSA-N 1 0 412.516 -0.754 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000448262422 1069038408 /nfs/dbraw/zinc/03/84/08/1069038408.db2.gz XGLYXFDSGMVQBS-GOSISDBHSA-N 1 0 413.540 -0.134 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000448263049 1069038351 /nfs/dbraw/zinc/03/83/51/1069038351.db2.gz HSAKBBPYWXOYKB-GOSISDBHSA-N 1 0 410.540 -0.901 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000448271423 1069036978 /nfs/dbraw/zinc/03/69/78/1069036978.db2.gz QZIYXUZPEUMQFV-MRXNPFEDSA-N 1 0 407.496 -0.544 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC(=O)NCCO ZINC000448271746 1069036973 /nfs/dbraw/zinc/03/69/73/1069036973.db2.gz RVESMSIXKXGINR-UHFFFAOYSA-N 1 0 400.501 -0.937 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1C ZINC000448276468 1068954672 /nfs/dbraw/zinc/95/46/72/1068954672.db2.gz RWBJAJWMJBHYCF-QGZVFWFLSA-N 1 0 421.523 -0.458 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000448282346 1069039494 /nfs/dbraw/zinc/03/94/94/1069039494.db2.gz FSFRVHPNVPTJFN-RHSMWYFYSA-N 1 0 421.523 -0.378 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000448282347 1069039394 /nfs/dbraw/zinc/03/93/94/1069039394.db2.gz FSFRVHPNVPTJFN-WMLDXEAASA-N 1 0 421.523 -0.378 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000448286050 1069039270 /nfs/dbraw/zinc/03/92/70/1069039270.db2.gz SSIBIFNNZXCFDU-MRXNPFEDSA-N 1 0 407.496 -0.766 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cnc2n(C)c1=O ZINC000448317398 1069040882 /nfs/dbraw/zinc/04/08/82/1069040882.db2.gz HGCAXNKTVOCCKH-AWEZNQCLSA-N 1 0 416.482 -0.193 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)cnc2n(C)c1=O ZINC000448317399 1069040569 /nfs/dbraw/zinc/04/05/69/1069040569.db2.gz HGCAXNKTVOCCKH-CQSZACIVSA-N 1 0 416.482 -0.193 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000448318759 1069040808 /nfs/dbraw/zinc/04/08/08/1069040808.db2.gz OHKRYPKNQJHXDJ-HNNXBMFYSA-N 1 0 420.514 -0.083 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000448318760 1069554305 /nfs/dbraw/zinc/55/43/05/1069554305.db2.gz OHKRYPKNQJHXDJ-OAHLLOKOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000448321329 1069042088 /nfs/dbraw/zinc/04/20/88/1069042088.db2.gz YQPXUODWJDNYQQ-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000448321330 1069042137 /nfs/dbraw/zinc/04/21/37/1069042137.db2.gz YQPXUODWJDNYQQ-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448323609 1069042261 /nfs/dbraw/zinc/04/22/61/1069042261.db2.gz YLKZRKUPSCQEGU-INIZCTEOSA-N 1 0 406.531 0.390 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448323610 1069042231 /nfs/dbraw/zinc/04/22/31/1069042231.db2.gz YLKZRKUPSCQEGU-MRXNPFEDSA-N 1 0 406.531 0.390 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448324651 1069042164 /nfs/dbraw/zinc/04/21/64/1069042164.db2.gz HWVAOMJLICUOEJ-HNNXBMFYSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448324652 1069041984 /nfs/dbraw/zinc/04/19/84/1069041984.db2.gz HWVAOMJLICUOEJ-OAHLLOKOSA-N 1 0 408.503 -0.179 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)cc21 ZINC000448406778 1069048202 /nfs/dbraw/zinc/04/82/02/1069048202.db2.gz LVQIVMFSFTUHPG-DZGCQCFKSA-N 1 0 406.439 -0.249 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)cc21 ZINC000448406779 1069048410 /nfs/dbraw/zinc/04/84/10/1069048410.db2.gz LVQIVMFSFTUHPG-HIFRSBDPSA-N 1 0 406.439 -0.249 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)cc21 ZINC000448406780 1069048313 /nfs/dbraw/zinc/04/83/13/1069048313.db2.gz LVQIVMFSFTUHPG-UKRRQHHQSA-N 1 0 406.439 -0.249 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)cc21 ZINC000448406781 1069048126 /nfs/dbraw/zinc/04/81/26/1069048126.db2.gz LVQIVMFSFTUHPG-ZFWWWQNUSA-N 1 0 406.439 -0.249 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000448415275 1068990626 /nfs/dbraw/zinc/99/06/26/1068990626.db2.gz MVRMDCGLFNTFHZ-MOPGFXCFSA-N 1 0 420.510 -0.093 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000448415276 1069048755 /nfs/dbraw/zinc/04/87/55/1069048755.db2.gz MVRMDCGLFNTFHZ-OALUTQOASA-N 1 0 420.510 -0.093 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000448415277 1069048957 /nfs/dbraw/zinc/04/89/57/1069048957.db2.gz MVRMDCGLFNTFHZ-RBUKOAKNSA-N 1 0 420.510 -0.093 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000448415278 1069048604 /nfs/dbraw/zinc/04/86/04/1069048604.db2.gz MVRMDCGLFNTFHZ-RTBURBONSA-N 1 0 420.510 -0.093 20 0 HBADRO C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448416333 1069048821 /nfs/dbraw/zinc/04/88/21/1069048821.db2.gz UVPPVOZLCUCECR-GDBMZVCRSA-N 1 0 408.503 -0.349 20 0 HBADRO C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448416334 1069048697 /nfs/dbraw/zinc/04/86/97/1069048697.db2.gz UVPPVOZLCUCECR-GOEBONIOSA-N 1 0 408.503 -0.349 20 0 HBADRO C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448416335 1069049009 /nfs/dbraw/zinc/04/90/09/1069049009.db2.gz UVPPVOZLCUCECR-HOCLYGCPSA-N 1 0 408.503 -0.349 20 0 HBADRO C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448416336 1069048873 /nfs/dbraw/zinc/04/88/73/1069048873.db2.gz UVPPVOZLCUCECR-ZBFHGGJFSA-N 1 0 408.503 -0.349 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)c2cccnc2)CC1=O ZINC000448427230 1069050127 /nfs/dbraw/zinc/05/01/27/1069050127.db2.gz WTAKJMBRTIGARB-CVEARBPZSA-N 1 0 423.539 -0.191 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccnc2)CC1=O ZINC000448427231 1069049985 /nfs/dbraw/zinc/04/99/85/1069049985.db2.gz WTAKJMBRTIGARB-HOTGVXAUSA-N 1 0 423.539 -0.191 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)c2cccnc2)CC1=O ZINC000448427232 1069049934 /nfs/dbraw/zinc/04/99/34/1069049934.db2.gz WTAKJMBRTIGARB-HZPDHXFCSA-N 1 0 423.539 -0.191 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccnc2)CC1=O ZINC000448427233 1069050077 /nfs/dbraw/zinc/05/00/77/1069050077.db2.gz WTAKJMBRTIGARB-JKSUJKDBSA-N 1 0 423.539 -0.191 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)ccc2oc1=O ZINC000448437583 1069299192 /nfs/dbraw/zinc/29/91/92/1069299192.db2.gz HZIZJOYLDRWEFM-UHFFFAOYSA-N 1 0 401.423 -0.115 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](C(C)(C)C)C2)cn1 ZINC000448451059 1069053563 /nfs/dbraw/zinc/05/35/63/1069053563.db2.gz XBEIYOWEAFJLEN-HNNXBMFYSA-N 1 0 408.503 -0.227 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C(C)(C)C)C2)cn1 ZINC000448451060 1069053507 /nfs/dbraw/zinc/05/35/07/1069053507.db2.gz XBEIYOWEAFJLEN-OAHLLOKOSA-N 1 0 408.503 -0.227 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cn1 ZINC000448451357 1069053591 /nfs/dbraw/zinc/05/35/91/1069053591.db2.gz DXCUJDJNRWIBKY-AWEZNQCLSA-N 1 0 407.500 -0.128 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cn1 ZINC000448451358 1069053458 /nfs/dbraw/zinc/05/34/58/1069053458.db2.gz DXCUJDJNRWIBKY-CQSZACIVSA-N 1 0 407.500 -0.128 20 0 HBADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000448453009 1069055926 /nfs/dbraw/zinc/05/59/26/1069055926.db2.gz UFMRUSUQLIZDEC-INIZCTEOSA-N 1 0 410.544 -0.262 20 0 HBADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000448453010 1069055937 /nfs/dbraw/zinc/05/59/37/1069055937.db2.gz UFMRUSUQLIZDEC-MRXNPFEDSA-N 1 0 410.544 -0.262 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCNS(=O)(=O)c3cccnc3)ccn2)CC1 ZINC000448458957 1069055917 /nfs/dbraw/zinc/05/59/17/1069055917.db2.gz KWZRXVGSPRUWKW-UHFFFAOYSA-N 1 0 404.496 -0.063 20 0 HBADRO CC(C)[C@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000448468860 1069054330 /nfs/dbraw/zinc/05/43/30/1069054330.db2.gz WQVSKFNJCPBVCT-KRWDZBQOSA-N 1 0 412.560 -0.069 20 0 HBADRO CC(C)[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000448468861 1069055327 /nfs/dbraw/zinc/05/53/27/1069055327.db2.gz WQVSKFNJCPBVCT-QGZVFWFLSA-N 1 0 412.560 -0.069 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448472284 1069055307 /nfs/dbraw/zinc/05/53/07/1069055307.db2.gz OGHAWQWKBHOUKV-UHFFFAOYSA-N 1 0 424.527 -0.691 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000448472796 1069545485 /nfs/dbraw/zinc/54/54/85/1069545485.db2.gz JMWCUTXVSCXDCF-UHFFFAOYSA-N 1 0 412.372 0.555 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000448476665 1069058623 /nfs/dbraw/zinc/05/86/23/1069058623.db2.gz BUYMCYBIPJGYKD-UHFFFAOYSA-N 1 0 404.496 0.429 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)n1 ZINC000448476940 1069546052 /nfs/dbraw/zinc/54/60/52/1069546052.db2.gz FEJVTDIJDAHKPH-GOSISDBHSA-N 1 0 414.510 0.573 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)n1 ZINC000448476941 1069545549 /nfs/dbraw/zinc/54/55/49/1069545549.db2.gz FEJVTDIJDAHKPH-SFHVURJKSA-N 1 0 414.510 0.573 20 0 HBADRO COC(=O)c1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1OC ZINC000448479193 1069590765 /nfs/dbraw/zinc/59/07/65/1069590765.db2.gz SJBGDYPQPMZOCT-UHFFFAOYSA-N 1 0 403.439 0.495 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000448479310 1069059666 /nfs/dbraw/zinc/05/96/66/1069059666.db2.gz SCJATWDABLVDOO-UHFFFAOYSA-N 1 0 416.457 0.507 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 ZINC000448479995 1069547040 /nfs/dbraw/zinc/54/70/40/1069547040.db2.gz XTUWRASGJYYOLW-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn2)CCO1 ZINC000448482615 1069055999 /nfs/dbraw/zinc/05/59/99/1069055999.db2.gz XETFFTYXDNNHMM-HNNXBMFYSA-N 1 0 415.498 0.320 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn2)CCO1 ZINC000448482616 1069055966 /nfs/dbraw/zinc/05/59/66/1069055966.db2.gz XETFFTYXDNNHMM-OAHLLOKOSA-N 1 0 415.498 0.320 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)n1 ZINC000448482730 1069055987 /nfs/dbraw/zinc/05/59/87/1069055987.db2.gz XJJAQNDIHJXJTF-UHFFFAOYSA-N 1 0 422.511 -0.381 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)n1 ZINC000448483668 1069057049 /nfs/dbraw/zinc/05/70/49/1069057049.db2.gz MXWLFWOBHNEDQC-UHFFFAOYSA-N 1 0 424.509 0.375 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488177 1069057582 /nfs/dbraw/zinc/05/75/82/1069057582.db2.gz PRHNFCRRKMUROL-DLBZAZTESA-N 1 0 406.531 0.533 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488181 1069057784 /nfs/dbraw/zinc/05/77/84/1069057784.db2.gz PRHNFCRRKMUROL-IAGOWNOFSA-N 1 0 406.531 0.533 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488182 1069057863 /nfs/dbraw/zinc/05/78/63/1069057863.db2.gz PRHNFCRRKMUROL-IRXDYDNUSA-N 1 0 406.531 0.533 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488183 1069057652 /nfs/dbraw/zinc/05/76/52/1069057652.db2.gz PRHNFCRRKMUROL-SJORKVTESA-N 1 0 406.531 0.533 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000448488809 1069057568 /nfs/dbraw/zinc/05/75/68/1069057568.db2.gz UAQAXIAEJUVKTH-UHFFFAOYSA-N 1 0 414.466 0.073 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC000448489076 1069057739 /nfs/dbraw/zinc/05/77/39/1069057739.db2.gz FSICELKKHBCGME-UHFFFAOYSA-N 1 0 414.466 0.073 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448489724 1069057721 /nfs/dbraw/zinc/05/77/21/1069057721.db2.gz ZSZHAHJQLTUWGI-UHFFFAOYSA-N 1 0 422.511 -0.050 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000448491621 1069057606 /nfs/dbraw/zinc/05/76/06/1069057606.db2.gz VYPOMSQRBFLTTG-DLBZAZTESA-N 1 0 406.531 0.390 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448491622 1069057689 /nfs/dbraw/zinc/05/76/89/1069057689.db2.gz VYPOMSQRBFLTTG-IAGOWNOFSA-N 1 0 406.531 0.390 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000448491623 1069058627 /nfs/dbraw/zinc/05/86/27/1069058627.db2.gz VYPOMSQRBFLTTG-IRXDYDNUSA-N 1 0 406.531 0.390 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448491624 1069058605 /nfs/dbraw/zinc/05/86/05/1069058605.db2.gz VYPOMSQRBFLTTG-SJORKVTESA-N 1 0 406.531 0.390 20 0 HBADRO CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448493814 1069634196 /nfs/dbraw/zinc/63/41/96/1069634196.db2.gz ZXBXRYOMSRDOEJ-UHFFFAOYSA-N 1 0 402.455 0.537 20 0 HBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c(C)o1 ZINC000448496577 1069569814 /nfs/dbraw/zinc/56/98/14/1069569814.db2.gz RCTHGYXPETVWJY-UHFFFAOYSA-N 1 0 416.482 0.578 20 0 HBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448497911 1069061402 /nfs/dbraw/zinc/06/14/02/1069061402.db2.gz XWANMRUEZFFOTR-UHFFFAOYSA-N 1 0 416.482 0.167 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCCC1 ZINC000448498073 1069061307 /nfs/dbraw/zinc/06/13/07/1069061307.db2.gz FKARSSFNDVLXJO-KRWDZBQOSA-N 1 0 406.531 0.390 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCCC1 ZINC000448498074 1069061346 /nfs/dbraw/zinc/06/13/46/1069061346.db2.gz FKARSSFNDVLXJO-QGZVFWFLSA-N 1 0 406.531 0.390 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000448498573 1069061461 /nfs/dbraw/zinc/06/14/61/1069061461.db2.gz ZCVLEFMZYWHGEA-UHFFFAOYSA-N 1 0 404.496 0.429 20 0 HBADRO COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448499146 1069061320 /nfs/dbraw/zinc/06/13/20/1069061320.db2.gz MZXDZISQAFRWOU-UHFFFAOYSA-N 1 0 402.455 -0.176 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448500019 1069610357 /nfs/dbraw/zinc/61/03/57/1069610357.db2.gz WKOUNWCOCODESU-UHFFFAOYSA-N 1 0 421.546 -0.214 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000448501081 1069546060 /nfs/dbraw/zinc/54/60/60/1069546060.db2.gz KEXNLGZXVNLVEY-GOSISDBHSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 ZINC000448501082 1069545573 /nfs/dbraw/zinc/54/55/73/1069545573.db2.gz KEXNLGZXVNLVEY-SFHVURJKSA-N 1 0 410.544 -0.293 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000448501919 1069062390 /nfs/dbraw/zinc/06/23/90/1069062390.db2.gz VDKZXDIGPASJOQ-KRWDZBQOSA-N 1 0 404.515 0.241 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000448501920 1069062487 /nfs/dbraw/zinc/06/24/87/1069062487.db2.gz VDKZXDIGPASJOQ-QGZVFWFLSA-N 1 0 404.515 0.241 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)n1 ZINC000448501956 1069062411 /nfs/dbraw/zinc/06/24/11/1069062411.db2.gz VLLVZDKQTABNMD-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448502185 1069567762 /nfs/dbraw/zinc/56/77/62/1069567762.db2.gz YEPNURNHSGXQGT-CYBMUJFWSA-N 1 0 422.511 0.169 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448502186 1069567644 /nfs/dbraw/zinc/56/76/44/1069567644.db2.gz YEPNURNHSGXQGT-ZDUSSCGKSA-N 1 0 422.511 0.169 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448503382 1069549904 /nfs/dbraw/zinc/54/99/04/1069549904.db2.gz CIGRYYIVQGRKKW-DLBZAZTESA-N 1 0 406.531 0.390 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448503383 1069062347 /nfs/dbraw/zinc/06/23/47/1069062347.db2.gz CIGRYYIVQGRKKW-IAGOWNOFSA-N 1 0 406.531 0.390 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448503384 1069660963 /nfs/dbraw/zinc/66/09/63/1069660963.db2.gz CIGRYYIVQGRKKW-IRXDYDNUSA-N 1 0 406.531 0.390 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448503385 1069661043 /nfs/dbraw/zinc/66/10/43/1069661043.db2.gz CIGRYYIVQGRKKW-SJORKVTESA-N 1 0 406.531 0.390 20 0 HBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448504905 1069633348 /nfs/dbraw/zinc/63/33/48/1069633348.db2.gz KZWMNLYNAUGANM-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000448505091 1069062424 /nfs/dbraw/zinc/06/24/24/1069062424.db2.gz VAGYLKBBDPHHGN-UHFFFAOYSA-N 1 0 404.515 0.241 20 0 HBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448506187 1069601174 /nfs/dbraw/zinc/60/11/74/1069601174.db2.gz SYNWFTXHNRLLGS-UHFFFAOYSA-N 1 0 414.532 -0.296 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000448506301 1069062445 /nfs/dbraw/zinc/06/24/45/1069062445.db2.gz UUGRHAAYIZFXRT-UHFFFAOYSA-N 1 0 414.510 0.402 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000448506726 1069062468 /nfs/dbraw/zinc/06/24/68/1069062468.db2.gz BESFOMSHERZKRM-UHFFFAOYSA-N 1 0 404.515 0.241 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000448507033 1069062483 /nfs/dbraw/zinc/06/24/83/1069062483.db2.gz ZKFNGZKTYYEOGV-CYBMUJFWSA-N 1 0 419.438 -0.332 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000448507034 1069062474 /nfs/dbraw/zinc/06/24/74/1069062474.db2.gz ZKFNGZKTYYEOGV-ZDUSSCGKSA-N 1 0 419.438 -0.332 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000448508745 1069062400 /nfs/dbraw/zinc/06/24/00/1069062400.db2.gz WNVGENNQRLHNMH-KRWDZBQOSA-N 1 0 406.531 0.392 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000448508746 1069062311 /nfs/dbraw/zinc/06/23/11/1069062311.db2.gz WNVGENNQRLHNMH-QGZVFWFLSA-N 1 0 406.531 0.392 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)n1 ZINC000448510060 1069060433 /nfs/dbraw/zinc/06/04/33/1069060433.db2.gz LKAUEMIWLRFWPI-UHFFFAOYSA-N 1 0 407.496 0.363 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000448511919 1069630572 /nfs/dbraw/zinc/63/05/72/1069630572.db2.gz JCYOXZZTMDMMDB-UHFFFAOYSA-N 1 0 422.511 -0.214 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000448513427 1069060444 /nfs/dbraw/zinc/06/04/44/1069060444.db2.gz QUQXJAMJTJVACF-KRWDZBQOSA-N 1 0 406.531 0.390 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000448513428 1069060482 /nfs/dbraw/zinc/06/04/82/1069060482.db2.gz QUQXJAMJTJVACF-QGZVFWFLSA-N 1 0 406.531 0.390 20 0 HBADRO COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448514005 1069060471 /nfs/dbraw/zinc/06/04/71/1069060471.db2.gz UJHVOSBBRIOIAD-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448519308 1069063416 /nfs/dbraw/zinc/06/34/16/1069063416.db2.gz CVYIGUNKKGHYRB-INIZCTEOSA-N 1 0 424.527 -0.692 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448519309 1069063345 /nfs/dbraw/zinc/06/33/45/1069063345.db2.gz CVYIGUNKKGHYRB-MRXNPFEDSA-N 1 0 424.527 -0.692 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000448520778 1069063388 /nfs/dbraw/zinc/06/33/88/1069063388.db2.gz LNAKQESSFYCPGG-INIZCTEOSA-N 1 0 410.544 -0.219 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000448520779 1069063463 /nfs/dbraw/zinc/06/34/63/1069063463.db2.gz LNAKQESSFYCPGG-MRXNPFEDSA-N 1 0 410.544 -0.219 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000448523218 1069064312 /nfs/dbraw/zinc/06/43/12/1069064312.db2.gz YAAQNCWLUHUSMQ-BLLLJJGKSA-N 1 0 409.512 -0.133 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000448523219 1069064415 /nfs/dbraw/zinc/06/44/15/1069064415.db2.gz YAAQNCWLUHUSMQ-LRDDRELGSA-N 1 0 409.512 -0.133 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000448523220 1069064293 /nfs/dbraw/zinc/06/42/93/1069064293.db2.gz YAAQNCWLUHUSMQ-MLGOLLRUSA-N 1 0 409.512 -0.133 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000448523221 1069064394 /nfs/dbraw/zinc/06/43/94/1069064394.db2.gz YAAQNCWLUHUSMQ-WBMJQRKESA-N 1 0 409.512 -0.133 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)n1 ZINC000448526612 1069065413 /nfs/dbraw/zinc/06/54/13/1069065413.db2.gz BLBCQODFNVLMIZ-UHFFFAOYSA-N 1 0 406.531 0.535 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)N2CCOCC2)o1 ZINC000448526658 1069065266 /nfs/dbraw/zinc/06/52/66/1069065266.db2.gz BYFYQSBGXNOJTK-INIZCTEOSA-N 1 0 418.498 0.474 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)N2CCOCC2)o1 ZINC000448526659 1069065368 /nfs/dbraw/zinc/06/53/68/1069065368.db2.gz BYFYQSBGXNOJTK-MRXNPFEDSA-N 1 0 418.498 0.474 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCCC1 ZINC000448527379 1069542681 /nfs/dbraw/zinc/54/26/81/1069542681.db2.gz BHQFXPXTUIFGKW-UHFFFAOYSA-N 1 0 406.531 0.535 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448528929 1069065385 /nfs/dbraw/zinc/06/53/85/1069065385.db2.gz KVOKITNDEXAJLC-UHFFFAOYSA-N 1 0 422.511 -0.050 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC000448529995 1069065372 /nfs/dbraw/zinc/06/53/72/1069065372.db2.gz BRTWLORCHHPDOG-INIZCTEOSA-N 1 0 402.455 -0.005 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cn1 ZINC000448529996 1069066139 /nfs/dbraw/zinc/06/61/39/1069066139.db2.gz BRTWLORCHHPDOG-MRXNPFEDSA-N 1 0 402.455 -0.005 20 0 HBADRO CC(C)(CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCCCC1 ZINC000448530339 1069065247 /nfs/dbraw/zinc/06/52/47/1069065247.db2.gz VNIHDXPFGLRUCO-UHFFFAOYSA-N 1 0 406.531 0.535 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)n1 ZINC000448531605 1069066112 /nfs/dbraw/zinc/06/61/12/1069066112.db2.gz UKNAVFZLKNCTNU-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 ZINC000448532108 1069065895 /nfs/dbraw/zinc/06/58/95/1069065895.db2.gz LJPALCXGFLIFLY-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000448532483 1069545307 /nfs/dbraw/zinc/54/53/07/1069545307.db2.gz NDSBJZOVEONQHU-GOSISDBHSA-N 1 0 414.510 0.400 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000448532484 1069545885 /nfs/dbraw/zinc/54/58/85/1069545885.db2.gz NDSBJZOVEONQHU-SFHVURJKSA-N 1 0 414.510 0.400 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 ZINC000448532679 1069065981 /nfs/dbraw/zinc/06/59/81/1069065981.db2.gz ODWJHAYKVYJQDR-GOSISDBHSA-N 1 0 414.510 0.573 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 ZINC000448532680 1069066008 /nfs/dbraw/zinc/06/60/08/1069066008.db2.gz ODWJHAYKVYJQDR-SFHVURJKSA-N 1 0 414.510 0.573 20 0 HBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000448534200 1069066189 /nfs/dbraw/zinc/06/61/89/1069066189.db2.gz DTFWOZZOFGHDJG-UHFFFAOYSA-N 1 0 403.462 0.407 20 0 HBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1F ZINC000448534668 1069066105 /nfs/dbraw/zinc/06/61/05/1069066105.db2.gz JSEUDLHJMMBIMQ-UHFFFAOYSA-N 1 0 404.446 0.377 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H](C)O1 ZINC000448534717 1069539497 /nfs/dbraw/zinc/53/94/97/1069539497.db2.gz KLXFGUZSLCWNLQ-CALCHBBNSA-N 1 0 422.530 -0.231 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H](C)O1 ZINC000448534718 1069539603 /nfs/dbraw/zinc/53/96/03/1069539603.db2.gz KLXFGUZSLCWNLQ-IAGOWNOFSA-N 1 0 422.530 -0.231 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H](C)O1 ZINC000448534719 1069559298 /nfs/dbraw/zinc/55/92/98/1069559298.db2.gz KLXFGUZSLCWNLQ-IRXDYDNUSA-N 1 0 422.530 -0.231 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)n1 ZINC000448534839 1069066034 /nfs/dbraw/zinc/06/60/34/1069066034.db2.gz LZEGKYWLHNIRRX-UHFFFAOYSA-N 1 0 414.510 0.532 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000448535364 1069563250 /nfs/dbraw/zinc/56/32/50/1069563250.db2.gz SMHJSKMCFVZFMC-KRWDZBQOSA-N 1 0 422.530 -0.373 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000448535365 1069563109 /nfs/dbraw/zinc/56/31/09/1069563109.db2.gz SMHJSKMCFVZFMC-QGZVFWFLSA-N 1 0 422.530 -0.373 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@H](C)O1 ZINC000448535734 1069842231 /nfs/dbraw/zinc/84/22/31/1069842231.db2.gz WZFHPIMFNLBHQL-CALCHBBNSA-N 1 0 422.530 -0.231 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@@H](C)O1 ZINC000448535735 1069842519 /nfs/dbraw/zinc/84/25/19/1069842519.db2.gz WZFHPIMFNLBHQL-IAGOWNOFSA-N 1 0 422.530 -0.231 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@H](C)O1 ZINC000448535736 1069842778 /nfs/dbraw/zinc/84/27/78/1069842778.db2.gz WZFHPIMFNLBHQL-IRXDYDNUSA-N 1 0 422.530 -0.231 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000448535799 1069065966 /nfs/dbraw/zinc/06/59/66/1069065966.db2.gz XWAWJURGBDHBJG-UHFFFAOYSA-N 1 0 419.486 -0.246 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000448537310 1069587408 /nfs/dbraw/zinc/58/74/08/1069587408.db2.gz JLWNUKOJAZGJSR-UHFFFAOYSA-N 1 0 406.531 0.392 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000448539763 1069063279 /nfs/dbraw/zinc/06/32/79/1069063279.db2.gz WNLOFDANFBXORV-GOSISDBHSA-N 1 0 422.530 -0.373 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000448539764 1069063311 /nfs/dbraw/zinc/06/33/11/1069063311.db2.gz WNLOFDANFBXORV-SFHVURJKSA-N 1 0 422.530 -0.373 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000460173515 1069353244 /nfs/dbraw/zinc/35/32/44/1069353244.db2.gz PLZNKMDMQSEQHZ-KRWDZBQOSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000460173516 1069353088 /nfs/dbraw/zinc/35/30/88/1069353088.db2.gz PLZNKMDMQSEQHZ-QGZVFWFLSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000460173536 1069353818 /nfs/dbraw/zinc/35/38/18/1069353818.db2.gz PPPUOWKCXTZXEZ-UHFFFAOYSA-N 1 0 404.581 -0.464 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000460234573 1069357811 /nfs/dbraw/zinc/35/78/11/1069357811.db2.gz FQHRVZKSBJHSMH-GOSISDBHSA-N 1 0 412.512 -0.427 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000460234577 1069357693 /nfs/dbraw/zinc/35/76/93/1069357693.db2.gz FQHRVZKSBJHSMH-SFHVURJKSA-N 1 0 412.512 -0.427 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000460257111 1069359573 /nfs/dbraw/zinc/35/95/73/1069359573.db2.gz PJERHJANUKYUPJ-KRWDZBQOSA-N 1 0 400.501 -0.523 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000460257112 1069360010 /nfs/dbraw/zinc/36/00/10/1069360010.db2.gz PJERHJANUKYUPJ-QGZVFWFLSA-N 1 0 400.501 -0.523 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000460257423 1069359476 /nfs/dbraw/zinc/35/94/76/1069359476.db2.gz JINXQOZMBSQRIO-JXFKEZNVSA-N 1 0 419.530 -0.352 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000460257424 1069359356 /nfs/dbraw/zinc/35/93/56/1069359356.db2.gz JINXQOZMBSQRIO-OXJNMPFZSA-N 1 0 419.530 -0.352 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000460257425 1069359922 /nfs/dbraw/zinc/35/99/22/1069359922.db2.gz JINXQOZMBSQRIO-OXQOHEQNSA-N 1 0 419.530 -0.352 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000460257428 1069359614 /nfs/dbraw/zinc/35/96/14/1069359614.db2.gz JINXQOZMBSQRIO-UZLBHIALSA-N 1 0 419.530 -0.352 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460257446 1069359759 /nfs/dbraw/zinc/35/97/59/1069359759.db2.gz JIYBBOPOQMIKSO-KRWDZBQOSA-N 1 0 400.501 -0.835 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460257453 1069359312 /nfs/dbraw/zinc/35/93/12/1069359312.db2.gz JIYBBOPOQMIKSO-QGZVFWFLSA-N 1 0 400.501 -0.835 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000460258888 1069359433 /nfs/dbraw/zinc/35/94/33/1069359433.db2.gz NFBPPOJYDXPSED-INIZCTEOSA-N 1 0 418.541 -0.365 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000460258889 1069359865 /nfs/dbraw/zinc/35/98/65/1069359865.db2.gz NFBPPOJYDXPSED-MRXNPFEDSA-N 1 0 418.541 -0.365 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000460262885 1069360344 /nfs/dbraw/zinc/36/03/44/1069360344.db2.gz MPTMBULXVDULLP-KRWDZBQOSA-N 1 0 400.501 -0.523 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000460262886 1069360233 /nfs/dbraw/zinc/36/02/33/1069360233.db2.gz MPTMBULXVDULLP-QGZVFWFLSA-N 1 0 400.501 -0.523 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000460267286 1069360482 /nfs/dbraw/zinc/36/04/82/1069360482.db2.gz VLVRMHGBFNIVAK-UHFFFAOYSA-N 1 0 409.622 -0.110 20 0 HBADRO COc1ccc(CNC(=O)NCC2CC[NH+](CCO)CC2)cc1S(N)(=O)=O ZINC000460277464 1069360906 /nfs/dbraw/zinc/36/09/06/1069360906.db2.gz SLHWAFQAPFEQEV-UHFFFAOYSA-N 1 0 400.501 -0.154 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000460277978 1069360972 /nfs/dbraw/zinc/36/09/72/1069360972.db2.gz WGFJVDGRHYIVBI-INIZCTEOSA-N 1 0 405.565 -0.349 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000460277988 1069361030 /nfs/dbraw/zinc/36/10/30/1069361030.db2.gz WGFJVDGRHYIVBI-MRXNPFEDSA-N 1 0 405.565 -0.349 20 0 HBADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000460350796 1069390058 /nfs/dbraw/zinc/39/00/58/1069390058.db2.gz XKIFKAPBLQOFDN-FPCVCCKLSA-N 1 0 401.529 -0.185 20 0 HBADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000460350797 1069390424 /nfs/dbraw/zinc/39/04/24/1069390424.db2.gz XKIFKAPBLQOFDN-JJXSEGSLSA-N 1 0 401.529 -0.185 20 0 HBADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000460350798 1069390027 /nfs/dbraw/zinc/39/00/27/1069390027.db2.gz XKIFKAPBLQOFDN-JONQDZQNSA-N 1 0 401.529 -0.185 20 0 HBADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000460350799 1069390300 /nfs/dbraw/zinc/39/03/00/1069390300.db2.gz XKIFKAPBLQOFDN-QXSJWSMHSA-N 1 0 401.529 -0.185 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000460369623 1069393048 /nfs/dbraw/zinc/39/30/48/1069393048.db2.gz CNWQXRJJSLJGLC-DLBZAZTESA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000460369624 1069393105 /nfs/dbraw/zinc/39/31/05/1069393105.db2.gz CNWQXRJJSLJGLC-IAGOWNOFSA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000460369625 1069034961 /nfs/dbraw/zinc/03/49/61/1069034961.db2.gz CNWQXRJJSLJGLC-IRXDYDNUSA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000460369626 1069392555 /nfs/dbraw/zinc/39/25/55/1069392555.db2.gz CNWQXRJJSLJGLC-SJORKVTESA-N 1 0 417.576 -0.112 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000460382867 1069393941 /nfs/dbraw/zinc/39/39/41/1069393941.db2.gz GPFYGFUSUDQDAJ-GOSISDBHSA-N 1 0 401.511 -0.172 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000460382879 1069393992 /nfs/dbraw/zinc/39/39/92/1069393992.db2.gz GPFYGFUSUDQDAJ-SFHVURJKSA-N 1 0 401.511 -0.172 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000460472208 1069447751 /nfs/dbraw/zinc/44/77/51/1069447751.db2.gz QYMAVVQMQPQMAC-UHFFFAOYSA-N 1 0 422.507 -0.292 20 0 HBADRO CN(C)S(=O)(=O)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000460480671 1069460482 /nfs/dbraw/zinc/46/04/82/1069460482.db2.gz NZXUXWBNJNJCPG-UHFFFAOYSA-N 1 0 405.565 -0.196 20 0 HBADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000460495476 1069487841 /nfs/dbraw/zinc/48/78/41/1069487841.db2.gz OUBOJPCVGQRCIS-KRWDZBQOSA-N 1 0 409.508 -0.154 20 0 HBADRO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000460495478 1069487867 /nfs/dbraw/zinc/48/78/67/1069487867.db2.gz OUBOJPCVGQRCIS-QGZVFWFLSA-N 1 0 409.508 -0.154 20 0 HBADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000460498668 1069489285 /nfs/dbraw/zinc/48/92/85/1069489285.db2.gz XINLQEYQVZEIPC-KRWDZBQOSA-N 1 0 409.508 -0.154 20 0 HBADRO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000460498670 1069489370 /nfs/dbraw/zinc/48/93/70/1069489370.db2.gz XINLQEYQVZEIPC-QGZVFWFLSA-N 1 0 409.508 -0.154 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000460540913 1069542671 /nfs/dbraw/zinc/54/26/71/1069542671.db2.gz AAIQGMREAYOQOB-KRWDZBQOSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000460540914 1069542586 /nfs/dbraw/zinc/54/25/86/1069542586.db2.gz AAIQGMREAYOQOB-QGZVFWFLSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000460568702 1069603561 /nfs/dbraw/zinc/60/35/61/1069603561.db2.gz YIQXSSNVOGCGPU-UHFFFAOYSA-N 1 0 404.581 -0.464 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ncn1 ZINC000460575696 1069605817 /nfs/dbraw/zinc/60/58/17/1069605817.db2.gz QVZVJBBXARHARQ-HNNXBMFYSA-N 1 0 406.487 -0.323 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ncn1 ZINC000460575702 1069605769 /nfs/dbraw/zinc/60/57/69/1069605769.db2.gz QVZVJBBXARHARQ-OAHLLOKOSA-N 1 0 406.487 -0.323 20 0 HBADRO COc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ncn1 ZINC000460608579 1069607252 /nfs/dbraw/zinc/60/72/52/1069607252.db2.gz SAXZBRLDJTZSML-UHFFFAOYSA-N 1 0 414.470 -0.068 20 0 HBADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000460679545 1069613575 /nfs/dbraw/zinc/61/35/75/1069613575.db2.gz SXMRYUKQCOKWGG-UHFFFAOYSA-N 1 0 406.597 -0.122 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460696113 1069616446 /nfs/dbraw/zinc/61/64/46/1069616446.db2.gz GPWMTQXNXNMBLT-HNNXBMFYSA-N 1 0 414.576 -0.152 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460696114 1069616353 /nfs/dbraw/zinc/61/63/53/1069616353.db2.gz GPWMTQXNXNMBLT-OAHLLOKOSA-N 1 0 414.576 -0.152 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000460748937 1069619417 /nfs/dbraw/zinc/61/94/17/1069619417.db2.gz YXGVEPYPROOLEB-AWEZNQCLSA-N 1 0 401.533 -0.068 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000460748938 1069060893 /nfs/dbraw/zinc/06/08/93/1069060893.db2.gz YXGVEPYPROOLEB-CQSZACIVSA-N 1 0 401.533 -0.068 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000460777466 1069620282 /nfs/dbraw/zinc/62/02/82/1069620282.db2.gz LVZONTWBSBBNTR-UHFFFAOYSA-N 1 0 424.523 -0.606 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000460779052 1069620167 /nfs/dbraw/zinc/62/01/67/1069620167.db2.gz CAGHOZRCYQUHIW-UHFFFAOYSA-N 1 0 410.540 -0.084 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000460793660 1069620966 /nfs/dbraw/zinc/62/09/66/1069620966.db2.gz ORIXEADQOMJWPU-AWEZNQCLSA-N 1 0 400.549 -0.543 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000460793661 1069620823 /nfs/dbraw/zinc/62/08/23/1069620823.db2.gz ORIXEADQOMJWPU-CQSZACIVSA-N 1 0 400.549 -0.543 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000460804013 1069620946 /nfs/dbraw/zinc/62/09/46/1069620946.db2.gz OWJVDHQKQMVUHS-UHFFFAOYSA-N 1 0 410.540 -0.132 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000460804443 1069620924 /nfs/dbraw/zinc/62/09/24/1069620924.db2.gz NPKFYARUXXPELA-AWEZNQCLSA-N 1 0 400.549 -0.590 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000460804444 1069620869 /nfs/dbraw/zinc/62/08/69/1069620869.db2.gz NPKFYARUXXPELA-CQSZACIVSA-N 1 0 400.549 -0.590 20 0 HBADRO CCC(CC)[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000460805665 1069064969 /nfs/dbraw/zinc/06/49/69/1069064969.db2.gz MSRLPXICLDDIBC-SFHVURJKSA-N 1 0 424.542 -0.347 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460864093 1069624641 /nfs/dbraw/zinc/62/46/41/1069624641.db2.gz XGHJZKFRHHVNJU-CYBMUJFWSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460864094 1069624662 /nfs/dbraw/zinc/62/46/62/1069624662.db2.gz XGHJZKFRHHVNJU-ZDUSSCGKSA-N 1 0 401.533 -0.069 20 0 HBADRO COc1cc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)ncn1 ZINC000460922749 1069634886 /nfs/dbraw/zinc/63/48/86/1069634886.db2.gz BGPYOXJLRVAHPZ-HNNXBMFYSA-N 1 0 405.503 -0.096 20 0 HBADRO COc1cc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)ncn1 ZINC000460922750 1069634865 /nfs/dbraw/zinc/63/48/65/1069634865.db2.gz BGPYOXJLRVAHPZ-OAHLLOKOSA-N 1 0 405.503 -0.096 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000460987102 1069082734 /nfs/dbraw/zinc/08/27/34/1069082734.db2.gz KBTGFZXLSSTXPB-DZGCQCFKSA-N 1 0 414.576 -0.297 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000460987103 1069640859 /nfs/dbraw/zinc/64/08/59/1069640859.db2.gz KBTGFZXLSSTXPB-HIFRSBDPSA-N 1 0 414.576 -0.297 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000460987104 1069640918 /nfs/dbraw/zinc/64/09/18/1069640918.db2.gz KBTGFZXLSSTXPB-UKRRQHHQSA-N 1 0 414.576 -0.297 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000460987105 1069641464 /nfs/dbraw/zinc/64/14/64/1069641464.db2.gz KBTGFZXLSSTXPB-ZFWWWQNUSA-N 1 0 414.576 -0.297 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460997693 1069645521 /nfs/dbraw/zinc/64/55/21/1069645521.db2.gz BXOPGMXLTFDZIR-DZGCQCFKSA-N 1 0 414.576 -0.154 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460997699 1069645510 /nfs/dbraw/zinc/64/55/10/1069645510.db2.gz BXOPGMXLTFDZIR-HIFRSBDPSA-N 1 0 414.576 -0.154 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460997701 1069645430 /nfs/dbraw/zinc/64/54/30/1069645430.db2.gz BXOPGMXLTFDZIR-UKRRQHHQSA-N 1 0 414.576 -0.154 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460997704 1069645572 /nfs/dbraw/zinc/64/55/72/1069645572.db2.gz BXOPGMXLTFDZIR-ZFWWWQNUSA-N 1 0 414.576 -0.154 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000460999937 1069645451 /nfs/dbraw/zinc/64/54/51/1069645451.db2.gz KJKRDGSWIVWJSZ-HNNXBMFYSA-N 1 0 410.540 -0.086 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000460999939 1069645484 /nfs/dbraw/zinc/64/54/84/1069645484.db2.gz KJKRDGSWIVWJSZ-OAHLLOKOSA-N 1 0 410.540 -0.086 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000461004399 1069646210 /nfs/dbraw/zinc/64/62/10/1069646210.db2.gz YHZYWLIPLRXIHB-UHFFFAOYSA-N 1 0 410.540 -0.084 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000461007731 1069642990 /nfs/dbraw/zinc/64/29/90/1069642990.db2.gz ZUUWGCGXLJBCLA-GXTWGEPZSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000461007732 1069642908 /nfs/dbraw/zinc/64/29/08/1069642908.db2.gz ZUUWGCGXLJBCLA-JSGCOSHPSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000461007733 1069642759 /nfs/dbraw/zinc/64/27/59/1069642759.db2.gz ZUUWGCGXLJBCLA-OCCSQVGLSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000461007734 1069642780 /nfs/dbraw/zinc/64/27/80/1069642780.db2.gz ZUUWGCGXLJBCLA-TZMCWYRMSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000461043672 1069647787 /nfs/dbraw/zinc/64/77/87/1069647787.db2.gz AJCURLSSGTUOGS-CYBMUJFWSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000461043673 1069648655 /nfs/dbraw/zinc/64/86/55/1069648655.db2.gz AJCURLSSGTUOGS-ZDUSSCGKSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000461065435 1069649173 /nfs/dbraw/zinc/64/91/73/1069649173.db2.gz TZBURDHJKVWNFG-CYBMUJFWSA-N 1 0 401.533 -0.069 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000461065436 1069649257 /nfs/dbraw/zinc/64/92/57/1069649257.db2.gz TZBURDHJKVWNFG-ZDUSSCGKSA-N 1 0 401.533 -0.069 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000461102189 1069655292 /nfs/dbraw/zinc/65/52/92/1069655292.db2.gz OBZMIHMGFYUAEY-HNNXBMFYSA-N 1 0 414.576 -0.200 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000461102190 1069655265 /nfs/dbraw/zinc/65/52/65/1069655265.db2.gz OBZMIHMGFYUAEY-OAHLLOKOSA-N 1 0 414.576 -0.200 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000461106781 1069653186 /nfs/dbraw/zinc/65/31/86/1069653186.db2.gz JUWQEBRPNQDZJX-GXTWGEPZSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000461106782 1069653159 /nfs/dbraw/zinc/65/31/59/1069653159.db2.gz JUWQEBRPNQDZJX-JSGCOSHPSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000461106783 1069653080 /nfs/dbraw/zinc/65/30/80/1069653080.db2.gz JUWQEBRPNQDZJX-OCCSQVGLSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000461106784 1069653050 /nfs/dbraw/zinc/65/30/50/1069653050.db2.gz JUWQEBRPNQDZJX-TZMCWYRMSA-N 1 0 400.549 -0.544 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000461110731 1069656027 /nfs/dbraw/zinc/65/60/27/1069656027.db2.gz RMOWFTWJDURLCH-HNNXBMFYSA-N 1 0 410.540 -0.086 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000461110733 1069655862 /nfs/dbraw/zinc/65/58/62/1069655862.db2.gz RMOWFTWJDURLCH-OAHLLOKOSA-N 1 0 410.540 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000461111329 1069653125 /nfs/dbraw/zinc/65/31/25/1069653125.db2.gz YNXPYVASNZYVRG-DZGCQCFKSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000461111330 1069653134 /nfs/dbraw/zinc/65/31/34/1069653134.db2.gz YNXPYVASNZYVRG-HIFRSBDPSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000461111331 1069653175 /nfs/dbraw/zinc/65/31/75/1069653175.db2.gz YNXPYVASNZYVRG-UKRRQHHQSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000461111333 1069653092 /nfs/dbraw/zinc/65/30/92/1069653092.db2.gz YNXPYVASNZYVRG-ZFWWWQNUSA-N 1 0 401.533 -0.069 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000461115600 1069656012 /nfs/dbraw/zinc/65/60/12/1069656012.db2.gz WLHLJAKFYPBDON-GXTWGEPZSA-N 1 0 414.532 -0.840 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000461115610 1069656093 /nfs/dbraw/zinc/65/60/93/1069656093.db2.gz WLHLJAKFYPBDON-JSGCOSHPSA-N 1 0 414.532 -0.840 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000461115612 1069655782 /nfs/dbraw/zinc/65/57/82/1069655782.db2.gz WLHLJAKFYPBDON-OCCSQVGLSA-N 1 0 414.532 -0.840 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000461115614 1069655958 /nfs/dbraw/zinc/65/59/58/1069655958.db2.gz WLHLJAKFYPBDON-TZMCWYRMSA-N 1 0 414.532 -0.840 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000461118817 1069656803 /nfs/dbraw/zinc/65/68/03/1069656803.db2.gz PFGGDPNOSRTRHE-INIZCTEOSA-N 1 0 424.523 -0.382 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000461118818 1069656647 /nfs/dbraw/zinc/65/66/47/1069656647.db2.gz PFGGDPNOSRTRHE-MRXNPFEDSA-N 1 0 424.523 -0.382 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461193403 1069658085 /nfs/dbraw/zinc/65/80/85/1069658085.db2.gz LJQIVCOZWPPSAE-MOPGFXCFSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461194102 1069659739 /nfs/dbraw/zinc/65/97/39/1069659739.db2.gz LJQIVCOZWPPSAE-OALUTQOASA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461194103 1069659491 /nfs/dbraw/zinc/65/94/91/1069659491.db2.gz LJQIVCOZWPPSAE-RBUKOAKNSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461194104 1069659540 /nfs/dbraw/zinc/65/95/40/1069659540.db2.gz LJQIVCOZWPPSAE-RTBURBONSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461194359 1069659841 /nfs/dbraw/zinc/65/98/41/1069659841.db2.gz POWQKVBJADXIQP-HNNXBMFYSA-N 1 0 412.512 -0.170 20 0 HBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461194360 1069659604 /nfs/dbraw/zinc/65/96/04/1069659604.db2.gz POWQKVBJADXIQP-OAHLLOKOSA-N 1 0 412.512 -0.170 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461197995 1069660668 /nfs/dbraw/zinc/66/06/68/1069660668.db2.gz OGWVUOYAYOQDIK-LLVKDONJSA-N 1 0 401.261 -0.108 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461198007 1069660626 /nfs/dbraw/zinc/66/06/26/1069660626.db2.gz OGWVUOYAYOQDIK-NSHDSACASA-N 1 0 401.261 -0.108 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461202511 1069660652 /nfs/dbraw/zinc/66/06/52/1069660652.db2.gz KKAIYMSQUSOOGV-GDBMZVCRSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461202512 1069001970 /nfs/dbraw/zinc/00/19/70/1069001970.db2.gz KKAIYMSQUSOOGV-GOEBONIOSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461202513 1069002097 /nfs/dbraw/zinc/00/20/97/1069002097.db2.gz KKAIYMSQUSOOGV-HOCLYGCPSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461202514 1069660532 /nfs/dbraw/zinc/66/05/32/1069660532.db2.gz KKAIYMSQUSOOGV-ZBFHGGJFSA-N 1 0 413.544 -0.116 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000461203359 1069660610 /nfs/dbraw/zinc/66/06/10/1069660610.db2.gz VCUUGVYSXYJRMP-AWEZNQCLSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000461203361 1069660597 /nfs/dbraw/zinc/66/05/97/1069660597.db2.gz VCUUGVYSXYJRMP-CQSZACIVSA-N 1 0 404.471 -0.996 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@H]1C ZINC000461233430 1069662165 /nfs/dbraw/zinc/66/21/65/1069662165.db2.gz NKULDBDXFBOAJU-NEPJUHHUSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1C ZINC000461233431 1069661906 /nfs/dbraw/zinc/66/19/06/1069661906.db2.gz NKULDBDXFBOAJU-NWDGAFQWSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1C ZINC000461233432 1069662027 /nfs/dbraw/zinc/66/20/27/1069662027.db2.gz NKULDBDXFBOAJU-RYUDHWBXSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@H]1C ZINC000461233433 1069662225 /nfs/dbraw/zinc/66/22/25/1069662225.db2.gz NKULDBDXFBOAJU-VXGBXAGGSA-N 1 0 412.468 -0.845 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000461239263 1069665017 /nfs/dbraw/zinc/66/50/17/1069665017.db2.gz QPAUQYDMVGKDQP-NEPJUHHUSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000461239267 1069664949 /nfs/dbraw/zinc/66/49/49/1069664949.db2.gz QPAUQYDMVGKDQP-NWDGAFQWSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000461239268 1069664865 /nfs/dbraw/zinc/66/48/65/1069664865.db2.gz QPAUQYDMVGKDQP-RYUDHWBXSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000461239270 1069665040 /nfs/dbraw/zinc/66/50/40/1069665040.db2.gz QPAUQYDMVGKDQP-VXGBXAGGSA-N 1 0 403.476 -0.062 20 0 HBADRO CN1CCC(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)([NH+]2CCCCC2)CC1 ZINC000461281743 1069668398 /nfs/dbraw/zinc/66/83/98/1069668398.db2.gz BTXNKIBVRPSSRG-UHFFFAOYSA-N 1 0 412.560 -0.013 20 0 HBADRO CN1CCC(CNC(=O)C2CCN(S(N)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000461297346 1069672040 /nfs/dbraw/zinc/67/20/40/1069672040.db2.gz RUXRMYXXLXJNIX-UHFFFAOYSA-N 1 0 401.577 -0.032 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cn1 ZINC000461299926 1069672714 /nfs/dbraw/zinc/67/27/14/1069672714.db2.gz ICRHSGNIOCWUGZ-UHFFFAOYSA-N 1 0 412.560 -0.235 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000461419657 1069683570 /nfs/dbraw/zinc/68/35/70/1069683570.db2.gz PCEZHJIOXVYSHI-MRXNPFEDSA-N 1 0 406.597 -0.218 20 0 HBADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCC[NH+]1CCN(CCO)CC1 ZINC000461443293 1069684301 /nfs/dbraw/zinc/68/43/01/1069684301.db2.gz NPISEOCGROQYHH-UHFFFAOYSA-N 1 0 406.483 -0.349 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000461454737 1069687674 /nfs/dbraw/zinc/68/76/74/1069687674.db2.gz JNGVRUKJWXJPHR-HNNXBMFYSA-N 1 0 402.451 -0.090 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000461454738 1069687472 /nfs/dbraw/zinc/68/74/72/1069687472.db2.gz JNGVRUKJWXJPHR-OAHLLOKOSA-N 1 0 402.451 -0.090 20 0 HBADRO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000461512165 1069690880 /nfs/dbraw/zinc/69/08/80/1069690880.db2.gz CURUMGDKWOLASV-UHFFFAOYSA-N 1 0 417.474 -0.938 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000461526963 1069689439 /nfs/dbraw/zinc/68/94/39/1069689439.db2.gz UYQASQHJVNJULY-HRCADAONSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000461526964 1069689479 /nfs/dbraw/zinc/68/94/79/1069689479.db2.gz UYQASQHJVNJULY-JYJNAYRXSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000461526965 1069689285 /nfs/dbraw/zinc/68/92/85/1069689285.db2.gz UYQASQHJVNJULY-OWCLPIDISA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000461526966 1069689205 /nfs/dbraw/zinc/68/92/05/1069689205.db2.gz UYQASQHJVNJULY-PMPSAXMXSA-N 1 0 405.565 -0.256 20 0 HBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CCO1 ZINC000461528537 1069689068 /nfs/dbraw/zinc/68/90/68/1069689068.db2.gz JLHBORJAVHWODL-INIZCTEOSA-N 1 0 408.503 -0.651 20 0 HBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CCO1 ZINC000461528538 1069689419 /nfs/dbraw/zinc/68/94/19/1069689419.db2.gz JLHBORJAVHWODL-MRXNPFEDSA-N 1 0 408.503 -0.651 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000461531776 1069689913 /nfs/dbraw/zinc/68/99/13/1069689913.db2.gz IARUUYZPEMKWJV-CVEARBPZSA-N 1 0 405.565 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000461531777 1069690092 /nfs/dbraw/zinc/69/00/92/1069690092.db2.gz IARUUYZPEMKWJV-HOTGVXAUSA-N 1 0 405.565 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000461531779 1069690129 /nfs/dbraw/zinc/69/01/29/1069690129.db2.gz IARUUYZPEMKWJV-HZPDHXFCSA-N 1 0 405.565 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000461531781 1069689967 /nfs/dbraw/zinc/68/99/67/1069689967.db2.gz IARUUYZPEMKWJV-JKSUJKDBSA-N 1 0 405.565 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000461538862 1069691501 /nfs/dbraw/zinc/69/15/01/1069691501.db2.gz GFAWPOMXQGSTQN-KRWDZBQOSA-N 1 0 418.608 -0.074 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000461538863 1069691401 /nfs/dbraw/zinc/69/14/01/1069691401.db2.gz GFAWPOMXQGSTQN-QGZVFWFLSA-N 1 0 418.608 -0.074 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000461539904 1069692297 /nfs/dbraw/zinc/69/22/97/1069692297.db2.gz JNEPZYRMOGFRRL-INIZCTEOSA-N 1 0 405.565 -0.255 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000461539905 1069692221 /nfs/dbraw/zinc/69/22/21/1069692221.db2.gz JNEPZYRMOGFRRL-MRXNPFEDSA-N 1 0 405.565 -0.255 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C[C@@H]1C ZINC000461550801 1069693718 /nfs/dbraw/zinc/69/37/18/1069693718.db2.gz XFHKUBLCUUZKNR-HRCADAONSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C[C@@H]1C ZINC000461550802 1069693676 /nfs/dbraw/zinc/69/36/76/1069693676.db2.gz XFHKUBLCUUZKNR-JYJNAYRXSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C[C@H]1C ZINC000461550803 1069693517 /nfs/dbraw/zinc/69/35/17/1069693517.db2.gz XFHKUBLCUUZKNR-OWCLPIDISA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C[C@H]1C ZINC000461550804 1069693564 /nfs/dbraw/zinc/69/35/64/1069693564.db2.gz XFHKUBLCUUZKNR-PMPSAXMXSA-N 1 0 405.565 -0.256 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000461551218 1069693749 /nfs/dbraw/zinc/69/37/49/1069693749.db2.gz ZBGDTEDIJMUWFY-HNNXBMFYSA-N 1 0 405.565 -0.255 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000461551219 1069693614 /nfs/dbraw/zinc/69/36/14/1069693614.db2.gz ZBGDTEDIJMUWFY-OAHLLOKOSA-N 1 0 405.565 -0.255 20 0 HBADRO C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000461608371 1069697184 /nfs/dbraw/zinc/69/71/84/1069697184.db2.gz WMWHGAWKGRRMJB-AWEZNQCLSA-N 1 0 418.498 -0.417 20 0 HBADRO C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000461608375 1069696890 /nfs/dbraw/zinc/69/68/90/1069696890.db2.gz WMWHGAWKGRRMJB-CQSZACIVSA-N 1 0 418.498 -0.417 20 0 HBADRO COc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1S(N)(=O)=O ZINC000461659316 1069703538 /nfs/dbraw/zinc/70/35/38/1069703538.db2.gz LWRAMESLHXFIQD-AWEZNQCLSA-N 1 0 400.501 -0.011 20 0 HBADRO COc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1S(N)(=O)=O ZINC000461659317 1069703795 /nfs/dbraw/zinc/70/37/95/1069703795.db2.gz LWRAMESLHXFIQD-CQSZACIVSA-N 1 0 400.501 -0.011 20 0 HBADRO COc1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1S(N)(=O)=O ZINC000461662445 1069702359 /nfs/dbraw/zinc/70/23/59/1069702359.db2.gz JSPYFQBYAQYKHS-UHFFFAOYSA-N 1 0 400.501 -0.059 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000461677190 1069703887 /nfs/dbraw/zinc/70/38/87/1069703887.db2.gz SZHUCWUCECEDGS-CHWSQXEVSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000461677191 1069703741 /nfs/dbraw/zinc/70/37/41/1069703741.db2.gz SZHUCWUCECEDGS-OLZOCXBDSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000461677192 1069703548 /nfs/dbraw/zinc/70/35/48/1069703548.db2.gz SZHUCWUCECEDGS-QWHCGFSZSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000461677193 1069703819 /nfs/dbraw/zinc/70/38/19/1069703819.db2.gz SZHUCWUCECEDGS-STQMWFEESA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000461713949 1069705205 /nfs/dbraw/zinc/70/52/05/1069705205.db2.gz VVSGDTRWSIZICP-CHWSQXEVSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000461713950 1069705240 /nfs/dbraw/zinc/70/52/40/1069705240.db2.gz VVSGDTRWSIZICP-OLZOCXBDSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000461713951 1069705014 /nfs/dbraw/zinc/70/50/14/1069705014.db2.gz VVSGDTRWSIZICP-QWHCGFSZSA-N 1 0 400.501 -0.061 20 0 HBADRO COc1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000461713952 1069705086 /nfs/dbraw/zinc/70/50/86/1069705086.db2.gz VVSGDTRWSIZICP-STQMWFEESA-N 1 0 400.501 -0.061 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000461746961 1069709106 /nfs/dbraw/zinc/70/91/06/1069709106.db2.gz DHVSOBCGOONNOE-UHFFFAOYSA-N 1 0 416.438 -0.342 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)C1 ZINC000461760827 1069713313 /nfs/dbraw/zinc/71/33/13/1069713313.db2.gz QGHOBGFTENANGM-GVDBMIGSSA-N 1 0 402.561 -0.144 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)C1 ZINC000461760828 1069713119 /nfs/dbraw/zinc/71/31/19/1069713119.db2.gz QGHOBGFTENANGM-YESZJQIVSA-N 1 0 402.561 -0.144 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)ncn1 ZINC000461776796 1069711920 /nfs/dbraw/zinc/71/19/20/1069711920.db2.gz NVJLEWOUUXTUBV-UHFFFAOYSA-N 1 0 408.422 0.353 20 0 HBADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000461793491 1069716449 /nfs/dbraw/zinc/71/64/49/1069716449.db2.gz CMBNYVYKZSARLS-KRWDZBQOSA-N 1 0 418.608 -0.074 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)c2)CC1 ZINC000461883114 1069720533 /nfs/dbraw/zinc/72/05/33/1069720533.db2.gz NXFDXZSKSOBLON-UHFFFAOYSA-N 1 0 413.522 -0.003 20 0 HBADRO CC[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000461886390 1069719905 /nfs/dbraw/zinc/71/99/05/1069719905.db2.gz CAWKUYDFENZGCO-UHFFFAOYSA-N 1 0 409.512 -0.617 20 0 HBADRO C[NH+](C)CCN(c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCCC1 ZINC000461949703 1069724083 /nfs/dbraw/zinc/72/40/83/1069724083.db2.gz RNLYQKQCZQFIRZ-NVQRDWNXSA-N 1 0 406.487 -0.252 20 0 HBADRO C[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461961895 1069724404 /nfs/dbraw/zinc/72/44/04/1069724404.db2.gz WJDLFKXEFYDUAA-CYBMUJFWSA-N 1 0 419.507 -0.045 20 0 HBADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000461961896 1069724600 /nfs/dbraw/zinc/72/46/00/1069724600.db2.gz WJDLFKXEFYDUAA-ZDUSSCGKSA-N 1 0 419.507 -0.045 20 0 HBADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000461969265 1069726194 /nfs/dbraw/zinc/72/61/94/1069726194.db2.gz XBNFRXUQFXHZLR-UHFFFAOYSA-N 1 0 407.496 -0.018 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)o1 ZINC000461971979 1069726102 /nfs/dbraw/zinc/72/61/02/1069726102.db2.gz NNFMBNNWHNHHTK-UHFFFAOYSA-N 1 0 411.484 -0.116 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 ZINC000461986440 1069546987 /nfs/dbraw/zinc/54/69/87/1069546987.db2.gz XZSYRVZDYAURGO-HNNXBMFYSA-N 1 0 412.450 0.314 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 ZINC000461986441 1069546622 /nfs/dbraw/zinc/54/66/22/1069546622.db2.gz XZSYRVZDYAURGO-OAHLLOKOSA-N 1 0 412.450 0.314 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000461988111 1069546361 /nfs/dbraw/zinc/54/63/61/1069546361.db2.gz LWTBSHXMMOVMLQ-CYBMUJFWSA-N 1 0 420.495 0.084 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000461988116 1069546872 /nfs/dbraw/zinc/54/68/72/1069546872.db2.gz LWTBSHXMMOVMLQ-ZDUSSCGKSA-N 1 0 420.495 0.084 20 0 HBADRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000461999325 1069727738 /nfs/dbraw/zinc/72/77/38/1069727738.db2.gz FBWKRROGDLPBMA-INIZCTEOSA-N 1 0 423.539 -0.645 20 0 HBADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000461999326 1069728478 /nfs/dbraw/zinc/72/84/78/1069728478.db2.gz FBWKRROGDLPBMA-MRXNPFEDSA-N 1 0 423.539 -0.645 20 0 HBADRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000461999699 1069728606 /nfs/dbraw/zinc/72/86/06/1069728606.db2.gz JSZWABKLMLZHSS-KRWDZBQOSA-N 1 0 422.551 -0.040 20 0 HBADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000461999700 1069728571 /nfs/dbraw/zinc/72/85/71/1069728571.db2.gz JSZWABKLMLZHSS-QGZVFWFLSA-N 1 0 422.551 -0.040 20 0 HBADRO C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000462005311 1069729392 /nfs/dbraw/zinc/72/93/92/1069729392.db2.gz HXRJYCUKUZNWKU-INIZCTEOSA-N 1 0 422.551 -0.191 20 0 HBADRO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000462005314 1069729346 /nfs/dbraw/zinc/72/93/46/1069729346.db2.gz HXRJYCUKUZNWKU-MRXNPFEDSA-N 1 0 422.551 -0.191 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000462006036 1069732201 /nfs/dbraw/zinc/73/22/01/1069732201.db2.gz PDLZJCDHJCMMSI-CABCVRRESA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000462006081 1069731896 /nfs/dbraw/zinc/73/18/96/1069731896.db2.gz PDLZJCDHJCMMSI-GJZGRUSLSA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000462006083 1069732102 /nfs/dbraw/zinc/73/21/02/1069732102.db2.gz PDLZJCDHJCMMSI-HUUCEWRRSA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000462006086 1069731849 /nfs/dbraw/zinc/73/18/49/1069731849.db2.gz PDLZJCDHJCMMSI-LSDHHAIUSA-N 1 0 423.539 -0.561 20 0 HBADRO COc1cc(N2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)ncn1 ZINC000462010180 1069733426 /nfs/dbraw/zinc/73/34/26/1069733426.db2.gz YPKWJZSOOPQVEU-UHFFFAOYSA-N 1 0 421.546 -0.293 20 0 HBADRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000462010241 1069733383 /nfs/dbraw/zinc/73/33/83/1069733383.db2.gz SJCDYPGFXXWNJC-HNNXBMFYSA-N 1 0 401.529 -0.217 20 0 HBADRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000462010242 1069733289 /nfs/dbraw/zinc/73/32/89/1069733289.db2.gz SJCDYPGFXXWNJC-OAHLLOKOSA-N 1 0 401.529 -0.217 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H](C)O1 ZINC000462023958 1069735444 /nfs/dbraw/zinc/73/54/44/1069735444.db2.gz VJVVZCMSDZQHRN-RYUDHWBXSA-N 1 0 401.489 -0.993 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H](C)O1 ZINC000462023959 1069735225 /nfs/dbraw/zinc/73/52/25/1069735225.db2.gz VJVVZCMSDZQHRN-TXEJJXNPSA-N 1 0 401.489 -0.993 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@@H](C)O1 ZINC000462023960 1069735422 /nfs/dbraw/zinc/73/54/22/1069735422.db2.gz VJVVZCMSDZQHRN-VXGBXAGGSA-N 1 0 401.489 -0.993 20 0 HBADRO C[NH+]1CCN(CCNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC000462026800 1069740890 /nfs/dbraw/zinc/74/08/90/1069740890.db2.gz ONYVGKDWSWMSSD-GOSISDBHSA-N 1 0 414.510 -0.100 20 0 HBADRO C[NH+]1CCN(CCNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC000462026802 1069740720 /nfs/dbraw/zinc/74/07/20/1069740720.db2.gz ONYVGKDWSWMSSD-SFHVURJKSA-N 1 0 414.510 -0.100 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000462032316 1069742593 /nfs/dbraw/zinc/74/25/93/1069742593.db2.gz NYNYXXTVQBQNIF-UHFFFAOYSA-N 1 0 419.507 -0.044 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(F)c1 ZINC000462044236 1069739488 /nfs/dbraw/zinc/73/94/88/1069739488.db2.gz IPBVQZAOYGNAJY-HNNXBMFYSA-N 1 0 411.459 -0.050 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(F)c1 ZINC000462044237 1069739574 /nfs/dbraw/zinc/73/95/74/1069739574.db2.gz IPBVQZAOYGNAJY-OAHLLOKOSA-N 1 0 411.459 -0.050 20 0 HBADRO COc1cccc([C@H](CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[NH+](C)C)c1 ZINC000462050236 1069744077 /nfs/dbraw/zinc/74/40/77/1069744077.db2.gz IZDZCABGSPDNOE-INIZCTEOSA-N 1 0 423.495 -0.180 20 0 HBADRO COc1cccc([C@@H](CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[NH+](C)C)c1 ZINC000462050237 1069744182 /nfs/dbraw/zinc/74/41/82/1069744182.db2.gz IZDZCABGSPDNOE-MRXNPFEDSA-N 1 0 423.495 -0.180 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000462052461 1069744824 /nfs/dbraw/zinc/74/48/24/1069744824.db2.gz RRIKAOTWYAXEIP-GOSISDBHSA-N 1 0 421.567 -0.075 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000462052462 1069744788 /nfs/dbraw/zinc/74/47/88/1069744788.db2.gz RRIKAOTWYAXEIP-SFHVURJKSA-N 1 0 421.567 -0.075 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000462058811 1069746052 /nfs/dbraw/zinc/74/60/52/1069746052.db2.gz NAIUPEHHHPUJMS-AWEZNQCLSA-N 1 0 405.480 -0.217 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000462058812 1069745947 /nfs/dbraw/zinc/74/59/47/1069745947.db2.gz NAIUPEHHHPUJMS-CQSZACIVSA-N 1 0 405.480 -0.217 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)CC1 ZINC000462064214 1069746919 /nfs/dbraw/zinc/74/69/19/1069746919.db2.gz WVADLGSAQKLWIO-CBZIJGRNSA-N 1 0 407.515 -0.239 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)CC1 ZINC000462064215 1069746536 /nfs/dbraw/zinc/74/65/36/1069746536.db2.gz WVADLGSAQKLWIO-KONPQCLYSA-N 1 0 407.515 -0.239 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)CC1 ZINC000462064216 1069746661 /nfs/dbraw/zinc/74/66/61/1069746661.db2.gz WVADLGSAQKLWIO-XLMAVXFVSA-N 1 0 407.515 -0.239 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)CC1 ZINC000462064217 1069747046 /nfs/dbraw/zinc/74/70/46/1069747046.db2.gz WVADLGSAQKLWIO-YFHUEUNASA-N 1 0 407.515 -0.239 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000462065767 1069743370 /nfs/dbraw/zinc/74/33/70/1069743370.db2.gz FEZNKHOWRQZGNY-UHFFFAOYSA-N 1 0 405.517 -0.618 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000462093962 1069753329 /nfs/dbraw/zinc/75/33/29/1069753329.db2.gz VSLPTVMAJSCNJI-INIZCTEOSA-N 1 0 418.560 -0.609 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000462093963 1069753235 /nfs/dbraw/zinc/75/32/35/1069753235.db2.gz VSLPTVMAJSCNJI-MRXNPFEDSA-N 1 0 418.560 -0.609 20 0 HBADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)N1CC[NH+](C)CC1 ZINC000462094558 1069753370 /nfs/dbraw/zinc/75/33/70/1069753370.db2.gz VTBDBMSCTDKWCS-CABCVRRESA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)N1CC[NH+](C)CC1 ZINC000462094559 1069753219 /nfs/dbraw/zinc/75/32/19/1069753219.db2.gz VTBDBMSCTDKWCS-GJZGRUSLSA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)N1CC[NH+](C)CC1 ZINC000462094560 1069753353 /nfs/dbraw/zinc/75/33/53/1069753353.db2.gz VTBDBMSCTDKWCS-HUUCEWRRSA-N 1 0 423.539 -0.561 20 0 HBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)N1CC[NH+](C)CC1 ZINC000462094561 1069753201 /nfs/dbraw/zinc/75/32/01/1069753201.db2.gz VTBDBMSCTDKWCS-LSDHHAIUSA-N 1 0 423.539 -0.561 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000462157774 1069757310 /nfs/dbraw/zinc/75/73/10/1069757310.db2.gz POATYRIBTILFAZ-UHFFFAOYSA-N 1 0 423.495 -0.174 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462167672 1069757870 /nfs/dbraw/zinc/75/78/70/1069757870.db2.gz WMLOKCSVCKNKQM-AWEZNQCLSA-N 1 0 407.500 -0.257 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462167673 1069758014 /nfs/dbraw/zinc/75/80/14/1069758014.db2.gz WMLOKCSVCKNKQM-CQSZACIVSA-N 1 0 407.500 -0.257 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cn([C@@H]3COC[C@H]3OC)nn2)CC1 ZINC000462214152 1069762227 /nfs/dbraw/zinc/76/22/27/1069762227.db2.gz OLGBVDKDDPKAAO-IAGOWNOFSA-N 1 0 423.518 -0.440 20 0 HBADRO CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000462218110 1069763318 /nfs/dbraw/zinc/76/33/18/1069763318.db2.gz LEYQUSFOUHFOKH-BRWVUGGUSA-N 1 0 421.502 -0.688 20 0 HBADRO CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000462218111 1069763488 /nfs/dbraw/zinc/76/34/88/1069763488.db2.gz LEYQUSFOUHFOKH-GVDBMIGSSA-N 1 0 421.502 -0.688 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000462252851 1071264928 /nfs/dbraw/zinc/26/49/28/1071264928.db2.gz LIMDDCDIXJPZRM-UHFFFAOYSA-N 1 0 422.511 -0.058 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000462272596 1071265756 /nfs/dbraw/zinc/26/57/56/1071265756.db2.gz PTGFEWVBVDOZGT-AWEZNQCLSA-N 1 0 409.468 -0.423 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000462272602 1071265876 /nfs/dbraw/zinc/26/58/76/1071265876.db2.gz PTGFEWVBVDOZGT-CQSZACIVSA-N 1 0 409.468 -0.423 20 0 HBADRO CC(C)C[C@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)C(=O)NCC[NH+](C)C ZINC000462278886 1071267979 /nfs/dbraw/zinc/26/79/79/1071267979.db2.gz NJTHHIUXCUUOAE-NSHDSACASA-N 1 0 404.493 -0.750 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000462282825 1071268082 /nfs/dbraw/zinc/26/80/82/1071268082.db2.gz XUGSFNAYVSFWCU-UHFFFAOYSA-N 1 0 422.511 -0.025 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000462291373 1071269494 /nfs/dbraw/zinc/26/94/94/1071269494.db2.gz UYLJQYOSBZEMTA-UHFFFAOYSA-N 1 0 401.489 -0.769 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000462298430 1071270274 /nfs/dbraw/zinc/27/02/74/1071270274.db2.gz QOWXBTCZEGRCJH-UHFFFAOYSA-N 1 0 419.511 -0.194 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000462302474 1071270224 /nfs/dbraw/zinc/27/02/24/1071270224.db2.gz WJYXYEVJTVFACS-KBPBESRZSA-N 1 0 409.468 -0.207 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000462302475 1071270096 /nfs/dbraw/zinc/27/00/96/1071270096.db2.gz WJYXYEVJTVFACS-KGLIPLIRSA-N 1 0 409.468 -0.207 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000462302476 1071270148 /nfs/dbraw/zinc/27/01/48/1071270148.db2.gz WJYXYEVJTVFACS-UONOGXRCSA-N 1 0 409.468 -0.207 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000462302477 1071270392 /nfs/dbraw/zinc/27/03/92/1071270392.db2.gz WJYXYEVJTVFACS-ZIAGYGMSSA-N 1 0 409.468 -0.207 20 0 HBADRO O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337808 1071278228 /nfs/dbraw/zinc/27/82/28/1071278228.db2.gz FHYXGNQGJOOPGY-CABCVRRESA-N 1 0 417.915 -0.400 20 0 HBADRO O=C(CN1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337809 1071278472 /nfs/dbraw/zinc/27/84/72/1071278472.db2.gz FHYXGNQGJOOPGY-GJZGRUSLSA-N 1 0 417.915 -0.400 20 0 HBADRO O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337810 1071278424 /nfs/dbraw/zinc/27/84/24/1071278424.db2.gz FHYXGNQGJOOPGY-HUUCEWRRSA-N 1 0 417.915 -0.400 20 0 HBADRO O=C(CN1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337811 1071278260 /nfs/dbraw/zinc/27/82/60/1071278260.db2.gz FHYXGNQGJOOPGY-LSDHHAIUSA-N 1 0 417.915 -0.400 20 0 HBADRO O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338340 1071278442 /nfs/dbraw/zinc/27/84/42/1071278442.db2.gz FRDPWYSPUDQDQL-CHWSQXEVSA-N 1 0 419.450 -0.775 20 0 HBADRO O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338341 1071278290 /nfs/dbraw/zinc/27/82/90/1071278290.db2.gz FRDPWYSPUDQDQL-OLZOCXBDSA-N 1 0 419.450 -0.775 20 0 HBADRO O=C(CN1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338342 1071278083 /nfs/dbraw/zinc/27/80/83/1071278083.db2.gz FRDPWYSPUDQDQL-QWHCGFSZSA-N 1 0 419.450 -0.775 20 0 HBADRO O=C(CN1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338343 1071278352 /nfs/dbraw/zinc/27/83/52/1071278352.db2.gz FRDPWYSPUDQDQL-STQMWFEESA-N 1 0 419.450 -0.775 20 0 HBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000462340815 1071275996 /nfs/dbraw/zinc/27/59/96/1071275996.db2.gz MRYIMEKVDWVKLH-MSOLQXFVSA-N 1 0 404.511 -0.241 20 0 HBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C[C@H](O)C[C@@H]2CO)CC1 ZINC000462340817 1071275837 /nfs/dbraw/zinc/27/58/37/1071275837.db2.gz MRYIMEKVDWVKLH-QZTJIDSGSA-N 1 0 404.511 -0.241 20 0 HBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 ZINC000462340819 1071275864 /nfs/dbraw/zinc/27/58/64/1071275864.db2.gz MRYIMEKVDWVKLH-ROUUACIJSA-N 1 0 404.511 -0.241 20 0 HBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C[C@H](O)C[C@H]2CO)CC1 ZINC000462340821 1071275878 /nfs/dbraw/zinc/27/58/78/1071275878.db2.gz MRYIMEKVDWVKLH-ZWKOTPCHSA-N 1 0 404.511 -0.241 20 0 HBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000462487843 1071295371 /nfs/dbraw/zinc/29/53/71/1071295371.db2.gz KOEFOIHURYRXOC-CYBMUJFWSA-N 1 0 424.527 -0.414 20 0 HBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000462487844 1071295254 /nfs/dbraw/zinc/29/52/54/1071295254.db2.gz KOEFOIHURYRXOC-ZDUSSCGKSA-N 1 0 424.527 -0.414 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462490131 1071295580 /nfs/dbraw/zinc/29/55/80/1071295580.db2.gz OYFDLOGJKLEYEZ-AWEZNQCLSA-N 1 0 404.558 -0.244 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462490132 1071296345 /nfs/dbraw/zinc/29/63/45/1071296345.db2.gz OYFDLOGJKLEYEZ-CQSZACIVSA-N 1 0 404.558 -0.244 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000462508680 1071296434 /nfs/dbraw/zinc/29/64/34/1071296434.db2.gz GGYNJEFSAUOKHA-UHFFFAOYSA-N 1 0 401.577 -0.096 20 0 HBADRO CSC1(CNC(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)CC[NH+](C)CC1 ZINC000462514922 1071296467 /nfs/dbraw/zinc/29/64/67/1071296467.db2.gz WDRSQFXHGUPOGX-HNNXBMFYSA-N 1 0 424.571 0.430 20 0 HBADRO CSC1(CNC(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)CC[NH+](C)CC1 ZINC000462514923 1069658742 /nfs/dbraw/zinc/65/87/42/1069658742.db2.gz WDRSQFXHGUPOGX-OAHLLOKOSA-N 1 0 424.571 0.430 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000462520108 1071296979 /nfs/dbraw/zinc/29/69/79/1071296979.db2.gz DYPDAAQDDQHAJT-UHFFFAOYSA-N 1 0 401.489 -0.865 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000462521062 1071297547 /nfs/dbraw/zinc/29/75/47/1071297547.db2.gz AZZPDKCGSWLZLA-UHFFFAOYSA-N 1 0 408.484 -0.319 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000462524048 1071297731 /nfs/dbraw/zinc/29/77/31/1071297731.db2.gz VNCWVOTWKQCJHF-UHFFFAOYSA-N 1 0 421.527 -0.044 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000462547345 1071301150 /nfs/dbraw/zinc/30/11/50/1071301150.db2.gz FWZWGYZCOFVETH-UHFFFAOYSA-N 1 0 408.484 -0.319 20 0 HBADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000462665069 1071307049 /nfs/dbraw/zinc/30/70/49/1071307049.db2.gz YZCFUUSXTIXNML-UHFFFAOYSA-N 1 0 402.498 -0.142 20 0 HBADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000462668820 1071307410 /nfs/dbraw/zinc/30/74/10/1071307410.db2.gz OJSPFHQMSBSRJJ-LLVKDONJSA-N 1 0 402.498 -0.143 20 0 HBADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000462668821 1071307765 /nfs/dbraw/zinc/30/77/65/1071307765.db2.gz OJSPFHQMSBSRJJ-NSHDSACASA-N 1 0 402.498 -0.143 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674865 1071307588 /nfs/dbraw/zinc/30/75/88/1071307588.db2.gz ABNINFAIAPCGPD-DOTOQJQBSA-N 1 0 416.569 -0.082 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674866 1071307722 /nfs/dbraw/zinc/30/77/22/1071307722.db2.gz ABNINFAIAPCGPD-NVXWUHKLSA-N 1 0 416.569 -0.082 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674867 1071307510 /nfs/dbraw/zinc/30/75/10/1071307510.db2.gz ABNINFAIAPCGPD-RDJZCZTQSA-N 1 0 416.569 -0.082 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674868 1071307692 /nfs/dbraw/zinc/30/76/92/1071307692.db2.gz ABNINFAIAPCGPD-WBVHZDCISA-N 1 0 416.569 -0.082 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462705696 1071310892 /nfs/dbraw/zinc/31/08/92/1071310892.db2.gz NLJWJQVITVUQNJ-UHFFFAOYSA-N 1 0 406.508 -0.084 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462710789 1071310689 /nfs/dbraw/zinc/31/06/89/1071310689.db2.gz MZWXWNHAOSQDPQ-KRWDZBQOSA-N 1 0 409.468 -0.205 20 0 HBADRO CS(=O)(=O)Cc1noc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462710792 1071310858 /nfs/dbraw/zinc/31/08/58/1071310858.db2.gz MZWXWNHAOSQDPQ-QGZVFWFLSA-N 1 0 409.468 -0.205 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3nc(CS(C)(=O)=O)no3)cn2)CC1 ZINC000462717714 1071311566 /nfs/dbraw/zinc/31/15/66/1071311566.db2.gz XUIYANOTGVYKHB-UHFFFAOYSA-N 1 0 423.499 -0.105 20 0 HBADRO CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000462733601 1071312006 /nfs/dbraw/zinc/31/20/06/1071312006.db2.gz JKXOCCKTEGMNII-UHFFFAOYSA-N 1 0 417.576 -0.099 20 0 HBADRO CN(C)S(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000462733691 1071311603 /nfs/dbraw/zinc/31/16/03/1071311603.db2.gz FXESKXFAQSUIPY-INIZCTEOSA-N 1 0 413.544 -0.534 20 0 HBADRO Cn1c(=O)ccn(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1=O ZINC000462741623 1071312834 /nfs/dbraw/zinc/31/28/34/1071312834.db2.gz BABCWEPRDLIJEB-UHFFFAOYSA-N 1 0 409.468 -0.974 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000462742457 1071313460 /nfs/dbraw/zinc/31/34/60/1071313460.db2.gz DYJMLAINCLDCNG-UHFFFAOYSA-N 1 0 411.484 -0.205 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C1 ZINC000462744070 1071313499 /nfs/dbraw/zinc/31/34/99/1071313499.db2.gz XWBZEIMOETVNHB-INIZCTEOSA-N 1 0 405.565 -0.686 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C1 ZINC000462744071 1071313102 /nfs/dbraw/zinc/31/31/02/1071313102.db2.gz XWBZEIMOETVNHB-MRXNPFEDSA-N 1 0 405.565 -0.686 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nn1 ZINC000462749033 1071314004 /nfs/dbraw/zinc/31/40/04/1071314004.db2.gz NAQKADROILAGKJ-UHFFFAOYSA-N 1 0 423.499 -0.542 20 0 HBADRO COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nn1 ZINC000462749916 1071314076 /nfs/dbraw/zinc/31/40/76/1071314076.db2.gz VXAHDZDCQPBWDM-UHFFFAOYSA-N 1 0 410.456 -0.457 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ncccc2O)c1 ZINC000462749944 1071314137 /nfs/dbraw/zinc/31/41/37/1071314137.db2.gz WGMUQYQZBAQLDQ-UHFFFAOYSA-N 1 0 421.479 -0.004 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000462751713 1071312599 /nfs/dbraw/zinc/31/25/99/1071312599.db2.gz AVJPWVYLBFXDMI-UHFFFAOYSA-N 1 0 418.541 -0.805 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1 ZINC000462754320 1071313257 /nfs/dbraw/zinc/31/32/57/1071313257.db2.gz OVVZWLSRNJFLQX-UHFFFAOYSA-N 1 0 418.479 -0.025 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)CNC2=O)c1 ZINC000462754697 1071313184 /nfs/dbraw/zinc/31/31/84/1071313184.db2.gz QFPIGISZNMNAEE-UHFFFAOYSA-N 1 0 411.484 -0.203 20 0 HBADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755115 1071313337 /nfs/dbraw/zinc/31/33/37/1071313337.db2.gz KHRAPMHEHZULFQ-BLLLJJGKSA-N 1 0 412.512 -0.259 20 0 HBADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755116 1071313220 /nfs/dbraw/zinc/31/32/20/1071313220.db2.gz KHRAPMHEHZULFQ-LRDDRELGSA-N 1 0 412.512 -0.259 20 0 HBADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755117 1071313482 /nfs/dbraw/zinc/31/34/82/1071313482.db2.gz KHRAPMHEHZULFQ-MLGOLLRUSA-N 1 0 412.512 -0.259 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755118 1071313287 /nfs/dbraw/zinc/31/32/87/1071313287.db2.gz KHRAPMHEHZULFQ-WBMJQRKESA-N 1 0 412.512 -0.259 20 0 HBADRO CC(C)NC(=O)CN(C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462755393 1071315325 /nfs/dbraw/zinc/31/53/25/1071315325.db2.gz UIUIXNMUOLYMHV-UHFFFAOYSA-N 1 0 413.544 -0.079 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000462755832 1071315257 /nfs/dbraw/zinc/31/52/57/1071315257.db2.gz WVCRCOFYRZGEHH-UHFFFAOYSA-N 1 0 411.484 -0.205 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCN2CCCS2(=O)=O)c1 ZINC000462756746 1071315145 /nfs/dbraw/zinc/31/51/45/1071315145.db2.gz QMGJNVXHMIABGT-UHFFFAOYSA-N 1 0 418.541 -0.109 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2CCCS2(=O)=O)c1 ZINC000462759121 1071315188 /nfs/dbraw/zinc/31/51/88/1071315188.db2.gz WRJPBPXSLHVPSC-UHFFFAOYSA-N 1 0 404.514 -0.500 20 0 HBADRO CN(C)S(=O)(=O)CCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462760795 1069048609 /nfs/dbraw/zinc/04/86/09/1069048609.db2.gz IBYRECYKLOWWNH-UHFFFAOYSA-N 1 0 406.530 -0.254 20 0 HBADRO CCS(=O)(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462762395 1071314455 /nfs/dbraw/zinc/31/44/55/1071314455.db2.gz MGUROBDLCDEEJA-UHFFFAOYSA-N 1 0 406.530 -0.254 20 0 HBADRO COCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1=O ZINC000462765452 1071314426 /nfs/dbraw/zinc/31/44/26/1071314426.db2.gz RYFGTNWJNLITHE-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO COCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1=O ZINC000462765459 1071314590 /nfs/dbraw/zinc/31/45/90/1071314590.db2.gz RYFGTNWJNLITHE-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc3c2ncnc3N)c1 ZINC000462766881 1071315441 /nfs/dbraw/zinc/31/54/41/1071315441.db2.gz QYPCTYHLPXNQSW-UHFFFAOYSA-N 1 0 418.483 -0.113 20 0 HBADRO COCCn1nc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)ccc1=O ZINC000462767487 1071315384 /nfs/dbraw/zinc/31/53/84/1071315384.db2.gz YKKFAXGKKAJGHF-UHFFFAOYSA-N 1 0 423.495 -0.018 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)NS(C)(=O)=O)c1 ZINC000462767786 1071315054 /nfs/dbraw/zinc/31/50/54/1071315054.db2.gz YYKIFOIAZSVMSD-UHFFFAOYSA-N 1 0 406.530 -0.207 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825942 1071317756 /nfs/dbraw/zinc/31/77/56/1071317756.db2.gz AWBOGAZSOIDHJP-AWEZNQCLSA-N 1 0 405.503 -0.396 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825943 1071317957 /nfs/dbraw/zinc/31/79/57/1071317957.db2.gz AWBOGAZSOIDHJP-CQSZACIVSA-N 1 0 405.503 -0.396 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000462953264 1069562194 /nfs/dbraw/zinc/56/21/94/1069562194.db2.gz MDAQSONRBNBMKX-PBHICJAKSA-N 1 0 412.494 0.513 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000462953265 1069561672 /nfs/dbraw/zinc/56/16/72/1069561672.db2.gz MDAQSONRBNBMKX-RHSMWYFYSA-N 1 0 412.494 0.513 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000462953266 1069561583 /nfs/dbraw/zinc/56/15/83/1069561583.db2.gz MDAQSONRBNBMKX-WMLDXEAASA-N 1 0 412.494 0.513 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000462953267 1069562245 /nfs/dbraw/zinc/56/22/45/1069562245.db2.gz MDAQSONRBNBMKX-YOEHRIQHSA-N 1 0 412.494 0.513 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957338 1071327532 /nfs/dbraw/zinc/32/75/32/1071327532.db2.gz KARAYIVJJWSQOU-DOTOQJQBSA-N 1 0 412.494 0.547 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957339 1071327760 /nfs/dbraw/zinc/32/77/60/1071327760.db2.gz KARAYIVJJWSQOU-NVXWUHKLSA-N 1 0 412.494 0.547 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957340 1071327688 /nfs/dbraw/zinc/32/76/88/1071327688.db2.gz KARAYIVJJWSQOU-RDJZCZTQSA-N 1 0 412.494 0.547 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957341 1071327347 /nfs/dbraw/zinc/32/73/47/1071327347.db2.gz KARAYIVJJWSQOU-WBVHZDCISA-N 1 0 412.494 0.547 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968001 1071328197 /nfs/dbraw/zinc/32/81/97/1071328197.db2.gz NHKPIADGFMYSLI-GDBMZVCRSA-N 1 0 413.482 -0.059 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968002 1071329161 /nfs/dbraw/zinc/32/91/61/1071329161.db2.gz NHKPIADGFMYSLI-GOEBONIOSA-N 1 0 413.482 -0.059 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968003 1071328856 /nfs/dbraw/zinc/32/88/56/1071328856.db2.gz NHKPIADGFMYSLI-HOCLYGCPSA-N 1 0 413.482 -0.059 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968004 1071328507 /nfs/dbraw/zinc/32/85/07/1071328507.db2.gz NHKPIADGFMYSLI-ZBFHGGJFSA-N 1 0 413.482 -0.059 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)n1 ZINC000462970180 1069545560 /nfs/dbraw/zinc/54/55/60/1069545560.db2.gz SZUFZMHLDLDNHM-UHFFFAOYSA-N 1 0 402.430 0.398 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)Cc2ccc(O)cc2)cn1 ZINC000462994797 1071330643 /nfs/dbraw/zinc/33/06/43/1071330643.db2.gz OSHUVSNVSNOXLH-UHFFFAOYSA-N 1 0 402.455 -0.436 20 0 HBADRO O=S(=O)(CC[NH2+]C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000463074456 1069700857 /nfs/dbraw/zinc/70/08/57/1069700857.db2.gz RWPNEMORWXKITB-UHFFFAOYSA-N 1 0 402.542 -0.300 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000463190433 1071346481 /nfs/dbraw/zinc/34/64/81/1071346481.db2.gz DAYGELQYXMASGQ-INIZCTEOSA-N 1 0 400.501 -0.097 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000463190435 1071346611 /nfs/dbraw/zinc/34/66/11/1071346611.db2.gz DAYGELQYXMASGQ-MRXNPFEDSA-N 1 0 400.501 -0.097 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194616 1071347269 /nfs/dbraw/zinc/34/72/69/1071347269.db2.gz SHAYKFKLFMLYFC-KBPBESRZSA-N 1 0 404.533 -0.305 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194628 1071347045 /nfs/dbraw/zinc/34/70/45/1071347045.db2.gz SHAYKFKLFMLYFC-KGLIPLIRSA-N 1 0 404.533 -0.305 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194629 1071347329 /nfs/dbraw/zinc/34/73/29/1071347329.db2.gz SHAYKFKLFMLYFC-UONOGXRCSA-N 1 0 404.533 -0.305 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194631 1071347078 /nfs/dbraw/zinc/34/70/78/1071347078.db2.gz SHAYKFKLFMLYFC-ZIAGYGMSSA-N 1 0 404.533 -0.305 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000463196070 1071348101 /nfs/dbraw/zinc/34/81/01/1071348101.db2.gz IDQFGTZZUVUSED-HNNXBMFYSA-N 1 0 401.485 -0.269 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000463196071 1071347799 /nfs/dbraw/zinc/34/77/99/1071347799.db2.gz IDQFGTZZUVUSED-OAHLLOKOSA-N 1 0 401.485 -0.269 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000463197455 1071347868 /nfs/dbraw/zinc/34/78/68/1071347868.db2.gz AVMKWYPBYXODES-UHFFFAOYSA-N 1 0 410.544 -0.362 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000463200847 1071352293 /nfs/dbraw/zinc/35/22/93/1071352293.db2.gz JZEPCRLLRILLTJ-AWEZNQCLSA-N 1 0 403.501 -0.038 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000463200848 1071352154 /nfs/dbraw/zinc/35/21/54/1071352154.db2.gz JZEPCRLLRILLTJ-CQSZACIVSA-N 1 0 403.501 -0.038 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000463202883 1071349281 /nfs/dbraw/zinc/34/92/81/1071349281.db2.gz OQJXSLJFGJBPFG-HNNXBMFYSA-N 1 0 411.484 -0.618 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000463202884 1071349313 /nfs/dbraw/zinc/34/93/13/1071349313.db2.gz OQJXSLJFGJBPFG-OAHLLOKOSA-N 1 0 411.484 -0.618 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000463212039 1071350911 /nfs/dbraw/zinc/35/09/11/1071350911.db2.gz SNUBDIYDTPYLOT-UHFFFAOYSA-N 1 0 411.532 -0.967 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1=O ZINC000463214631 1071350956 /nfs/dbraw/zinc/35/09/56/1071350956.db2.gz QFPWQTKEJBFXQM-MOPGFXCFSA-N 1 0 416.522 -0.017 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1=O ZINC000463214632 1071351035 /nfs/dbraw/zinc/35/10/35/1071351035.db2.gz QFPWQTKEJBFXQM-OALUTQOASA-N 1 0 416.522 -0.017 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1=O ZINC000463214633 1071350817 /nfs/dbraw/zinc/35/08/17/1071350817.db2.gz QFPWQTKEJBFXQM-RBUKOAKNSA-N 1 0 416.522 -0.017 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1=O ZINC000463214634 1071350852 /nfs/dbraw/zinc/35/08/52/1071350852.db2.gz QFPWQTKEJBFXQM-RTBURBONSA-N 1 0 416.522 -0.017 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000463225847 1071353637 /nfs/dbraw/zinc/35/36/37/1071353637.db2.gz RILIRTDZNUEENW-AWEZNQCLSA-N 1 0 400.501 -0.030 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000463225848 1071353535 /nfs/dbraw/zinc/35/35/35/1071353535.db2.gz RILIRTDZNUEENW-CQSZACIVSA-N 1 0 400.501 -0.030 20 0 HBADRO COC(=O)CCCN1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000463289046 1071360117 /nfs/dbraw/zinc/36/01/17/1071360117.db2.gz OHYYIGFFJHQLMX-DLBZAZTESA-N 1 0 403.545 -0.509 20 0 HBADRO COC(=O)CCCN1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000463289047 1071359971 /nfs/dbraw/zinc/35/99/71/1071359971.db2.gz OHYYIGFFJHQLMX-IAGOWNOFSA-N 1 0 403.545 -0.509 20 0 HBADRO COC(=O)CCCN1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000463289048 1071360182 /nfs/dbraw/zinc/36/01/82/1071360182.db2.gz OHYYIGFFJHQLMX-IRXDYDNUSA-N 1 0 403.545 -0.509 20 0 HBADRO COC(=O)CCCN1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000463289049 1071360071 /nfs/dbraw/zinc/36/00/71/1071360071.db2.gz OHYYIGFFJHQLMX-SJORKVTESA-N 1 0 403.545 -0.509 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000463309062 1071361059 /nfs/dbraw/zinc/36/10/59/1071361059.db2.gz SKNXFBOEGHZEFO-CABCVRRESA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000463309069 1071360916 /nfs/dbraw/zinc/36/09/16/1071360916.db2.gz SKNXFBOEGHZEFO-GJZGRUSLSA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000463309071 1071361125 /nfs/dbraw/zinc/36/11/25/1071361125.db2.gz SKNXFBOEGHZEFO-HUUCEWRRSA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000463309073 1071361016 /nfs/dbraw/zinc/36/10/16/1071361016.db2.gz SKNXFBOEGHZEFO-LSDHHAIUSA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCN1CCOCC1(C)C ZINC000463318966 1071361667 /nfs/dbraw/zinc/36/16/67/1071361667.db2.gz ZGRVTNATLSJMNV-AWEZNQCLSA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCN1CCOCC1(C)C ZINC000463318967 1071361505 /nfs/dbraw/zinc/36/15/05/1071361505.db2.gz ZGRVTNATLSJMNV-CQSZACIVSA-N 1 0 404.533 -0.568 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000463341243 1071363977 /nfs/dbraw/zinc/36/39/77/1071363977.db2.gz UXQIJRGGUPGIDI-BZUAXINKSA-N 1 0 418.560 -0.180 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000463341244 1071364127 /nfs/dbraw/zinc/36/41/27/1071364127.db2.gz UXQIJRGGUPGIDI-HRCADAONSA-N 1 0 418.560 -0.180 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC2)c1 ZINC000463344358 1071363825 /nfs/dbraw/zinc/36/38/25/1071363825.db2.gz ILOOLLSGUGZBKO-AWEZNQCLSA-N 1 0 415.512 -0.151 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000463344359 1071364005 /nfs/dbraw/zinc/36/40/05/1071364005.db2.gz ILOOLLSGUGZBKO-CQSZACIVSA-N 1 0 415.512 -0.151 20 0 HBADRO C[C@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000463345575 1071363857 /nfs/dbraw/zinc/36/38/57/1071363857.db2.gz NONMZYIIWOAMAN-AWEZNQCLSA-N 1 0 413.496 -0.397 20 0 HBADRO C[C@@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000463345576 1071364669 /nfs/dbraw/zinc/36/46/69/1071364669.db2.gz NONMZYIIWOAMAN-CQSZACIVSA-N 1 0 413.496 -0.397 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC2)cc1OC ZINC000463348020 1071364601 /nfs/dbraw/zinc/36/46/01/1071364601.db2.gz GSCNQFMQIIEPMZ-CQSZACIVSA-N 1 0 415.512 -0.151 20 0 HBADRO COCCN(C(=O)C[N@H+](C)C[C@@H](C)O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000463350549 1071365140 /nfs/dbraw/zinc/36/51/40/1071365140.db2.gz VSSFLPPSCORQDK-CQSZACIVSA-N 1 0 419.482 -0.129 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC2)cc1OC ZINC000463365078 1071367358 /nfs/dbraw/zinc/36/73/58/1071367358.db2.gz GSCNQFMQIIEPMZ-AWEZNQCLSA-N 1 0 415.512 -0.151 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000463369192 1071367171 /nfs/dbraw/zinc/36/71/71/1071367171.db2.gz PIZLJZBLOQKJLN-BBRMVZONSA-N 1 0 406.574 -0.242 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000463369193 1071367537 /nfs/dbraw/zinc/36/75/37/1071367537.db2.gz PIZLJZBLOQKJLN-CJNGLKHVSA-N 1 0 406.574 -0.242 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000463369194 1071367947 /nfs/dbraw/zinc/36/79/47/1071367947.db2.gz PIZLJZBLOQKJLN-CZUORRHYSA-N 1 0 406.574 -0.242 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000463369195 1071367768 /nfs/dbraw/zinc/36/77/68/1071367768.db2.gz PIZLJZBLOQKJLN-XJKSGUPXSA-N 1 0 406.574 -0.242 20 0 HBADRO COCCN(C(=O)C[N@H+](C)C[C@H](C)O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000463371579 1071367913 /nfs/dbraw/zinc/36/79/13/1071367913.db2.gz VSSFLPPSCORQDK-AWEZNQCLSA-N 1 0 419.482 -0.129 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)C1 ZINC000463423589 1071372668 /nfs/dbraw/zinc/37/26/68/1071372668.db2.gz GZZVYPDDWFEAKU-IBGZPJMESA-N 1 0 418.604 -0.235 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)C1 ZINC000463423590 1071372717 /nfs/dbraw/zinc/37/27/17/1071372717.db2.gz GZZVYPDDWFEAKU-LJQANCHMSA-N 1 0 418.604 -0.235 20 0 HBADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000463439194 1071372032 /nfs/dbraw/zinc/37/20/32/1071372032.db2.gz IHULLTMEYCIENJ-UHFFFAOYSA-N 1 0 408.524 -0.201 20 0 HBADRO CO[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(O)cc1 ZINC000463450306 1071376168 /nfs/dbraw/zinc/37/61/68/1071376168.db2.gz CEXCKKCHPMWWHN-KRWDZBQOSA-N 1 0 412.512 -0.284 20 0 HBADRO CO[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(O)cc1 ZINC000463450307 1071376026 /nfs/dbraw/zinc/37/60/26/1071376026.db2.gz CEXCKKCHPMWWHN-QGZVFWFLSA-N 1 0 412.512 -0.284 20 0 HBADRO C[C@](O)(CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)CN1CCOCC1 ZINC000463457466 1071375997 /nfs/dbraw/zinc/37/59/97/1071375997.db2.gz TVTPOFVIJWGLSI-KKBFJZEXSA-N 1 0 400.545 -0.088 20 0 HBADRO C[C@](O)(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)CN1CCOCC1 ZINC000463457467 1071376253 /nfs/dbraw/zinc/37/62/53/1071376253.db2.gz TVTPOFVIJWGLSI-KMCQBPLKSA-N 1 0 400.545 -0.088 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@](CO)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000463457860 1071375954 /nfs/dbraw/zinc/37/59/54/1071375954.db2.gz WTPCXQCGRJSSTO-FQEVSTJZSA-N 1 0 402.451 -0.004 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@@](CO)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000463457864 1071376122 /nfs/dbraw/zinc/37/61/22/1071376122.db2.gz WTPCXQCGRJSSTO-HXUWFJFHSA-N 1 0 402.451 -0.004 20 0 HBADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000463496018 1071380631 /nfs/dbraw/zinc/38/06/31/1071380631.db2.gz DVKZVPKKQQRDHJ-UHFFFAOYSA-N 1 0 422.507 -0.674 20 0 HBADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000463538712 1071382898 /nfs/dbraw/zinc/38/28/98/1071382898.db2.gz CERBDQXFJIZBRQ-AWEZNQCLSA-N 1 0 410.496 -0.737 20 0 HBADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000463538716 1071382983 /nfs/dbraw/zinc/38/29/83/1071382983.db2.gz CERBDQXFJIZBRQ-CQSZACIVSA-N 1 0 410.496 -0.737 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463598875 1071386126 /nfs/dbraw/zinc/38/61/26/1071386126.db2.gz ARZTXEVBKXVGRZ-INIZCTEOSA-N 1 0 424.523 -0.382 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463598876 1071386016 /nfs/dbraw/zinc/38/60/16/1071386016.db2.gz ARZTXEVBKXVGRZ-MRXNPFEDSA-N 1 0 424.523 -0.382 20 0 HBADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000463620224 1071387945 /nfs/dbraw/zinc/38/79/45/1071387945.db2.gz GEAZUDJRALLXAO-INIZCTEOSA-N 1 0 412.498 -0.167 20 0 HBADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nn1 ZINC000463620228 1071387828 /nfs/dbraw/zinc/38/78/28/1071387828.db2.gz GEAZUDJRALLXAO-MRXNPFEDSA-N 1 0 412.498 -0.167 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463636547 1071389971 /nfs/dbraw/zinc/38/99/71/1071389971.db2.gz OINISFILUCXUCB-UHFFFAOYSA-N 1 0 416.526 -0.689 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463637298 1071389801 /nfs/dbraw/zinc/38/98/01/1071389801.db2.gz VVYHPJZYAXIUSN-UHFFFAOYSA-N 1 0 417.510 -0.215 20 0 HBADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463647655 1071391387 /nfs/dbraw/zinc/39/13/87/1071391387.db2.gz FFRJVPYWELXMTB-GOSISDBHSA-N 1 0 417.510 -0.480 20 0 HBADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463647660 1071391369 /nfs/dbraw/zinc/39/13/69/1071391369.db2.gz FFRJVPYWELXMTB-SFHVURJKSA-N 1 0 417.510 -0.480 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463657654 1071394254 /nfs/dbraw/zinc/39/42/54/1071394254.db2.gz JWUHHQAHCJCUGJ-UHFFFAOYSA-N 1 0 417.510 -0.216 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463658933 1071394220 /nfs/dbraw/zinc/39/42/20/1071394220.db2.gz FQCBBSSMCUXVCN-UHFFFAOYSA-N 1 0 405.499 -0.407 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)nn1 ZINC000463664437 1071393377 /nfs/dbraw/zinc/39/33/77/1071393377.db2.gz YVLFKRNXAWLNOD-HNNXBMFYSA-N 1 0 415.454 -0.646 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)nn1 ZINC000463664438 1071393246 /nfs/dbraw/zinc/39/32/46/1071393246.db2.gz YVLFKRNXAWLNOD-OAHLLOKOSA-N 1 0 415.454 -0.646 20 0 HBADRO CNc1nc(NCc2nnc(C3CC3)n2C)nc(NCc2nnc(C3CC3)n2C)[nH+]1 ZINC000463664774 1071393200 /nfs/dbraw/zinc/39/32/00/1071393200.db2.gz ZUPGFBOZEPIAEG-UHFFFAOYSA-N 1 0 410.490 -0.585 20 0 HBADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463685783 1071395513 /nfs/dbraw/zinc/39/55/13/1071395513.db2.gz BYQFVFJMLFPHGZ-UHFFFAOYSA-N 1 0 417.510 -0.623 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463686167 1071395401 /nfs/dbraw/zinc/39/54/01/1071395401.db2.gz OLYKKQGMOMNJDZ-KRWDZBQOSA-N 1 0 403.483 -0.606 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463686169 1071395304 /nfs/dbraw/zinc/39/53/04/1071395304.db2.gz OLYKKQGMOMNJDZ-QGZVFWFLSA-N 1 0 403.483 -0.606 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c2)nn1 ZINC000463686847 1071395465 /nfs/dbraw/zinc/39/54/65/1071395465.db2.gz PKUYOPAVHXJCOI-UHFFFAOYSA-N 1 0 416.438 -0.435 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463703655 1071397655 /nfs/dbraw/zinc/39/76/55/1071397655.db2.gz PSCFJBKOMXCVJU-INIZCTEOSA-N 1 0 416.526 -0.691 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463703656 1071397588 /nfs/dbraw/zinc/39/75/88/1071397588.db2.gz PSCFJBKOMXCVJU-MRXNPFEDSA-N 1 0 416.526 -0.691 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463705101 1071397704 /nfs/dbraw/zinc/39/77/04/1071397704.db2.gz FGSJKOCCDYKKBD-AWEZNQCLSA-N 1 0 416.438 -0.171 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463705103 1071398290 /nfs/dbraw/zinc/39/82/90/1071398290.db2.gz FGSJKOCCDYKKBD-CQSZACIVSA-N 1 0 416.438 -0.171 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCOCC1 ZINC000463720483 1071398692 /nfs/dbraw/zinc/39/86/92/1071398692.db2.gz AQGASEWXYNWTFO-UHFFFAOYSA-N 1 0 417.510 -0.216 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463732224 1071399759 /nfs/dbraw/zinc/39/97/59/1071399759.db2.gz UOZBYSXZJLENPS-GOSISDBHSA-N 1 0 417.510 -0.216 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463732225 1071400000 /nfs/dbraw/zinc/40/00/00/1071400000.db2.gz UOZBYSXZJLENPS-SFHVURJKSA-N 1 0 417.510 -0.216 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)n1 ZINC000463771432 1069545993 /nfs/dbraw/zinc/54/59/93/1069545993.db2.gz YZKVVZVJOJSYAO-UHFFFAOYSA-N 1 0 413.482 -0.046 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)nn1 ZINC000463786939 1071410488 /nfs/dbraw/zinc/41/04/88/1071410488.db2.gz MQFLZRDINHSIBV-GOSISDBHSA-N 1 0 402.411 -0.825 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)nn1 ZINC000463786940 1071410553 /nfs/dbraw/zinc/41/05/53/1071410553.db2.gz MQFLZRDINHSIBV-SFHVURJKSA-N 1 0 402.411 -0.825 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)nn1 ZINC000463791775 1071405958 /nfs/dbraw/zinc/40/59/58/1071405958.db2.gz SMQACIQBKWWTCJ-GOSISDBHSA-N 1 0 404.427 -0.579 20 0 HBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)nn1 ZINC000463791776 1071406051 /nfs/dbraw/zinc/40/60/51/1071406051.db2.gz SMQACIQBKWWTCJ-SFHVURJKSA-N 1 0 404.427 -0.579 20 0 HBADRO O=C(NCCN1CCCOCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463795421 1071406941 /nfs/dbraw/zinc/40/69/41/1071406941.db2.gz AGEFTKPJGZJCFB-UHFFFAOYSA-N 1 0 403.483 -0.605 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463807979 1071412246 /nfs/dbraw/zinc/41/22/46/1071412246.db2.gz MPMXUHXKPKJCRU-UHFFFAOYSA-N 1 0 410.540 -0.051 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463816636 1071416155 /nfs/dbraw/zinc/41/61/55/1071416155.db2.gz ILNUEKQAYZVLRL-HNNXBMFYSA-N 1 0 410.540 -0.051 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463816637 1071416054 /nfs/dbraw/zinc/41/60/54/1071416054.db2.gz ILNUEKQAYZVLRL-OAHLLOKOSA-N 1 0 410.540 -0.051 20 0 HBADRO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000463820912 1071417137 /nfs/dbraw/zinc/41/71/37/1071417137.db2.gz OWVYVTLLSSVANJ-KRWDZBQOSA-N 1 0 410.540 -0.053 20 0 HBADRO CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000463820913 1071416989 /nfs/dbraw/zinc/41/69/89/1071416989.db2.gz OWVYVTLLSSVANJ-QGZVFWFLSA-N 1 0 410.540 -0.053 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463875684 1071424709 /nfs/dbraw/zinc/42/47/09/1071424709.db2.gz DNSFZJYXQSDGIQ-UHFFFAOYSA-N 1 0 424.523 -0.428 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000464015201 1069546090 /nfs/dbraw/zinc/54/60/90/1069546090.db2.gz XMULLBXMZOXUAU-CYBMUJFWSA-N 1 0 402.430 0.444 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000464015402 1069545828 /nfs/dbraw/zinc/54/58/28/1069545828.db2.gz XMULLBXMZOXUAU-ZDUSSCGKSA-N 1 0 402.430 0.444 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000464063811 1071438859 /nfs/dbraw/zinc/43/88/59/1071438859.db2.gz AJWBSCWNTUYILB-UHFFFAOYSA-N 1 0 401.471 -0.334 20 0 HBADRO CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)S1(=O)=O ZINC000464215187 1071446296 /nfs/dbraw/zinc/44/62/96/1071446296.db2.gz AGGQCFRUMYXOOQ-DLBZAZTESA-N 1 0 404.577 -0.016 20 0 HBADRO CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H](C)S1(=O)=O ZINC000464215188 1071447186 /nfs/dbraw/zinc/44/71/86/1071447186.db2.gz AGGQCFRUMYXOOQ-IAGOWNOFSA-N 1 0 404.577 -0.016 20 0 HBADRO CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)S1(=O)=O ZINC000464215189 1071447137 /nfs/dbraw/zinc/44/71/37/1071447137.db2.gz AGGQCFRUMYXOOQ-IRXDYDNUSA-N 1 0 404.577 -0.016 20 0 HBADRO CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H](C)S1(=O)=O ZINC000464215190 1071447112 /nfs/dbraw/zinc/44/71/12/1071447112.db2.gz AGGQCFRUMYXOOQ-SJORKVTESA-N 1 0 404.577 -0.016 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1=O ZINC000464516585 1071463827 /nfs/dbraw/zinc/46/38/27/1071463827.db2.gz DUTGMMUXZONBEE-UHFFFAOYSA-N 1 0 403.439 -0.328 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CC1 ZINC000464517594 1071463797 /nfs/dbraw/zinc/46/37/97/1071463797.db2.gz FBDQLZPULFBOEC-UHFFFAOYSA-N 1 0 410.540 -0.018 20 0 HBADRO CCN1CCN(CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C(=O)C1=O ZINC000464521053 1071464622 /nfs/dbraw/zinc/46/46/22/1071464622.db2.gz IRHFABZQGLKNOQ-UHFFFAOYSA-N 1 0 417.510 -0.058 20 0 HBADRO Cn1c(=O)ccn(CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c1=O ZINC000464554551 1071467491 /nfs/dbraw/zinc/46/74/91/1071467491.db2.gz SZWOXXIGYOMYNJ-UHFFFAOYSA-N 1 0 401.467 -0.188 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOC1 ZINC000464596956 1071472363 /nfs/dbraw/zinc/47/23/63/1071472363.db2.gz OKEDKHXGQNYMAR-IBGZPJMESA-N 1 0 417.470 -0.676 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOC1 ZINC000464596958 1071472313 /nfs/dbraw/zinc/47/23/13/1071472313.db2.gz OKEDKHXGQNYMAR-LJQANCHMSA-N 1 0 417.470 -0.676 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000464599291 1071472914 /nfs/dbraw/zinc/47/29/14/1071472914.db2.gz ZFGXLPMBJYMWTE-HDMKZQKVSA-N 1 0 418.512 -0.507 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000464599292 1071473071 /nfs/dbraw/zinc/47/30/71/1071473071.db2.gz ZFGXLPMBJYMWTE-IIDMSEBBSA-N 1 0 418.512 -0.507 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000464599293 1071473103 /nfs/dbraw/zinc/47/31/03/1071473103.db2.gz ZFGXLPMBJYMWTE-RLFYNMQTSA-N 1 0 418.512 -0.507 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000464599294 1071473169 /nfs/dbraw/zinc/47/31/69/1071473169.db2.gz ZFGXLPMBJYMWTE-RVKKMQEKSA-N 1 0 418.512 -0.507 20 0 HBADRO COCCCN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C1CC[NH+](C)CC1 ZINC000464717587 1071480197 /nfs/dbraw/zinc/48/01/97/1071480197.db2.gz YKULHUXFGTXLJQ-UHFFFAOYSA-N 1 0 405.499 -0.002 20 0 HBADRO COCCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000464723356 1071481854 /nfs/dbraw/zinc/48/18/54/1071481854.db2.gz MTZOHAUKMGPTDF-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO COC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464728871 1071482740 /nfs/dbraw/zinc/48/27/40/1071482740.db2.gz HDTNCUUUEVTUOJ-AWEZNQCLSA-N 1 0 401.471 -0.103 20 0 HBADRO COCCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000464733307 1071481104 /nfs/dbraw/zinc/48/11/04/1071481104.db2.gz ZPSFXJFNUPBKMH-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO COCCOC[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464735743 1071481092 /nfs/dbraw/zinc/48/10/92/1071481092.db2.gz MTCGNWHHOADYAR-INIZCTEOSA-N 1 0 417.514 -0.003 20 0 HBADRO COCCOC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464735744 1071481032 /nfs/dbraw/zinc/48/10/32/1071481032.db2.gz MTCGNWHHOADYAR-MRXNPFEDSA-N 1 0 417.514 -0.003 20 0 HBADRO O=C(CN1CCN(S(=O)(=O)Cc2ccon2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000464736868 1071481686 /nfs/dbraw/zinc/48/16/86/1071481686.db2.gz LVTMVJOUHYSURW-UHFFFAOYSA-N 1 0 411.528 -0.135 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000464757430 1071485000 /nfs/dbraw/zinc/48/50/00/1071485000.db2.gz NYVOJZHRIOZEHQ-INIZCTEOSA-N 1 0 416.530 -0.600 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000464757431 1071484903 /nfs/dbraw/zinc/48/49/03/1071484903.db2.gz NYVOJZHRIOZEHQ-MRXNPFEDSA-N 1 0 416.530 -0.600 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000464763437 1071485722 /nfs/dbraw/zinc/48/57/22/1071485722.db2.gz PUNRGWJGBAAJKZ-GOSISDBHSA-N 1 0 424.567 -0.092 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000464763438 1071485645 /nfs/dbraw/zinc/48/56/45/1071485645.db2.gz PUNRGWJGBAAJKZ-SFHVURJKSA-N 1 0 424.567 -0.092 20 0 HBADRO Cc1nsc(N2CCC[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000464763976 1071485671 /nfs/dbraw/zinc/48/56/71/1071485671.db2.gz DVYSWVXXUPDYSZ-UHFFFAOYSA-N 1 0 404.500 -0.194 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464765496 1071485819 /nfs/dbraw/zinc/48/58/19/1071485819.db2.gz MWASAUITPGPUEU-KRWDZBQOSA-N 1 0 412.556 -0.229 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464765497 1071485701 /nfs/dbraw/zinc/48/57/01/1071485701.db2.gz MWASAUITPGPUEU-QGZVFWFLSA-N 1 0 412.556 -0.229 20 0 HBADRO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464776294 1071485836 /nfs/dbraw/zinc/48/58/36/1071485836.db2.gz TXKAELQNEHYSLW-DOTOQJQBSA-N 1 0 412.556 -0.230 20 0 HBADRO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464776296 1071485610 /nfs/dbraw/zinc/48/56/10/1071485610.db2.gz TXKAELQNEHYSLW-NVXWUHKLSA-N 1 0 412.556 -0.230 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464776297 1071485749 /nfs/dbraw/zinc/48/57/49/1071485749.db2.gz TXKAELQNEHYSLW-RDJZCZTQSA-N 1 0 412.556 -0.230 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464776299 1071485848 /nfs/dbraw/zinc/48/58/48/1071485848.db2.gz TXKAELQNEHYSLW-WBVHZDCISA-N 1 0 412.556 -0.230 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000464777101 1071485559 /nfs/dbraw/zinc/48/55/59/1071485559.db2.gz MBTKIXDAUHZZJK-MSOLQXFVSA-N 1 0 400.589 -0.019 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000464777102 1071486533 /nfs/dbraw/zinc/48/65/33/1071486533.db2.gz MBTKIXDAUHZZJK-QZTJIDSGSA-N 1 0 400.589 -0.019 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000464777103 1071486403 /nfs/dbraw/zinc/48/64/03/1071486403.db2.gz MBTKIXDAUHZZJK-ROUUACIJSA-N 1 0 400.589 -0.019 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000464777104 1071486461 /nfs/dbraw/zinc/48/64/61/1071486461.db2.gz MBTKIXDAUHZZJK-ZWKOTPCHSA-N 1 0 400.589 -0.019 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000464788959 1071486412 /nfs/dbraw/zinc/48/64/12/1071486412.db2.gz BBARCVVJIFBQFQ-FQEVSTJZSA-N 1 0 412.498 -0.386 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000464788960 1071486517 /nfs/dbraw/zinc/48/65/17/1071486517.db2.gz BBARCVVJIFBQFQ-HXUWFJFHSA-N 1 0 412.498 -0.386 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000464797164 1071488827 /nfs/dbraw/zinc/48/88/27/1071488827.db2.gz XKGGCXFOEHPHRJ-IBGZPJMESA-N 1 0 408.524 -0.015 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000464797165 1071488941 /nfs/dbraw/zinc/48/89/41/1071488941.db2.gz XKGGCXFOEHPHRJ-LJQANCHMSA-N 1 0 408.524 -0.015 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800325 1071487031 /nfs/dbraw/zinc/48/70/31/1071487031.db2.gz VSMJJPLAANSWID-AUUYWEPGSA-N 1 0 408.524 -0.017 20 0 HBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800326 1071487723 /nfs/dbraw/zinc/48/77/23/1071487723.db2.gz VSMJJPLAANSWID-IFXJQAMLSA-N 1 0 408.524 -0.017 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800327 1071487976 /nfs/dbraw/zinc/48/79/76/1071487976.db2.gz VSMJJPLAANSWID-KUHUBIRLSA-N 1 0 408.524 -0.017 20 0 HBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800328 1071487854 /nfs/dbraw/zinc/48/78/54/1071487854.db2.gz VSMJJPLAANSWID-LIRRHRJNSA-N 1 0 408.524 -0.017 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000465000682 1071505437 /nfs/dbraw/zinc/50/54/37/1071505437.db2.gz CWYKHURGLWUXHW-KRWDZBQOSA-N 1 0 417.576 -0.132 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000465000683 1071506097 /nfs/dbraw/zinc/50/60/97/1071506097.db2.gz CWYKHURGLWUXHW-QGZVFWFLSA-N 1 0 417.576 -0.132 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000465018339 1071507497 /nfs/dbraw/zinc/50/74/97/1071507497.db2.gz WVMKUTHKEFCEMD-KRWDZBQOSA-N 1 0 409.531 -0.323 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000465018343 1071507528 /nfs/dbraw/zinc/50/75/28/1071507528.db2.gz WVMKUTHKEFCEMD-QGZVFWFLSA-N 1 0 409.531 -0.323 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000465027706 1071509151 /nfs/dbraw/zinc/50/91/51/1071509151.db2.gz BSRPMZGBLXXZPJ-UHFFFAOYSA-N 1 0 403.483 -0.391 20 0 HBADRO Cn1c2c(ccn2CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)n(C)c1=O ZINC000465034801 1071507470 /nfs/dbraw/zinc/50/74/70/1071507470.db2.gz NMLIVHZFFTYMLO-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000465050016 1071510492 /nfs/dbraw/zinc/51/04/92/1071510492.db2.gz OAWKTLIGIVRLCI-UHFFFAOYSA-N 1 0 402.499 -0.721 20 0 HBADRO CCOCC[N@@H+]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@@H]1CC ZINC000465118278 1071517768 /nfs/dbraw/zinc/51/77/68/1071517768.db2.gz DSHYHVLOEWOKDU-HNNXBMFYSA-N 1 0 405.499 -0.002 20 0 HBADRO CCOCC[N@@H+]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C[C@H]1CC ZINC000465118286 1071517480 /nfs/dbraw/zinc/51/74/80/1071517480.db2.gz DSHYHVLOEWOKDU-OAHLLOKOSA-N 1 0 405.499 -0.002 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465119285 1071517817 /nfs/dbraw/zinc/51/78/17/1071517817.db2.gz HRNSDOVQYPBQFH-HNNXBMFYSA-N 1 0 404.515 -0.572 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465119286 1071517652 /nfs/dbraw/zinc/51/76/52/1071517652.db2.gz HRNSDOVQYPBQFH-OAHLLOKOSA-N 1 0 404.515 -0.572 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)CCO1 ZINC000465119679 1071517567 /nfs/dbraw/zinc/51/75/67/1071517567.db2.gz INTVUBLEKDOJHE-AWEZNQCLSA-N 1 0 403.483 -0.250 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)CCO1 ZINC000465119680 1071518299 /nfs/dbraw/zinc/51/82/99/1071518299.db2.gz INTVUBLEKDOJHE-CQSZACIVSA-N 1 0 403.483 -0.250 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000465119717 1071518446 /nfs/dbraw/zinc/51/84/46/1071518446.db2.gz JALFZQSOXMQYBC-HNNXBMFYSA-N 1 0 402.499 -0.723 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000465119721 1071518348 /nfs/dbraw/zinc/51/83/48/1071518348.db2.gz JALFZQSOXMQYBC-OAHLLOKOSA-N 1 0 402.499 -0.723 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)c1 ZINC000465121233 1071518401 /nfs/dbraw/zinc/51/84/01/1071518401.db2.gz MISCKFMUKPGYNL-UHFFFAOYSA-N 1 0 412.450 -0.209 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000465125150 1071515896 /nfs/dbraw/zinc/51/58/96/1071515896.db2.gz AFKJGACLWIGZTM-AWEZNQCLSA-N 1 0 403.483 -0.344 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000465125151 1071515714 /nfs/dbraw/zinc/51/57/14/1071515714.db2.gz AFKJGACLWIGZTM-CQSZACIVSA-N 1 0 403.483 -0.344 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000465125329 1071515862 /nfs/dbraw/zinc/51/58/62/1071515862.db2.gz FGNRBPSLJNWKDI-INIZCTEOSA-N 1 0 416.526 -0.333 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000465125330 1071515814 /nfs/dbraw/zinc/51/58/14/1071515814.db2.gz FGNRBPSLJNWKDI-MRXNPFEDSA-N 1 0 416.526 -0.333 20 0 HBADRO CC(C)[C@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC000465125482 1071516300 /nfs/dbraw/zinc/51/63/00/1071516300.db2.gz BUAOPJLWYZYMDG-INIZCTEOSA-N 1 0 404.515 -0.573 20 0 HBADRO CC(C)[C@@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC000465125483 1071516540 /nfs/dbraw/zinc/51/65/40/1071516540.db2.gz BUAOPJLWYZYMDG-MRXNPFEDSA-N 1 0 404.515 -0.573 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000465125492 1071516420 /nfs/dbraw/zinc/51/64/20/1071516420.db2.gz BYOASLMUJOCEMN-HNNXBMFYSA-N 1 0 403.483 -0.391 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000465125493 1071516605 /nfs/dbraw/zinc/51/66/05/1071516605.db2.gz BYOASLMUJOCEMN-OAHLLOKOSA-N 1 0 403.483 -0.391 20 0 HBADRO Cn1c2c(ccn2CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c(=O)n(C)c1=O ZINC000465127300 1071516369 /nfs/dbraw/zinc/51/63/69/1071516369.db2.gz MFECRPGMRZWYCL-UHFFFAOYSA-N 1 0 403.483 -0.200 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465127671 1071516266 /nfs/dbraw/zinc/51/62/66/1071516266.db2.gz NCRXVETZMXDBPY-UHFFFAOYSA-N 1 0 418.498 -0.949 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465128405 1071516503 /nfs/dbraw/zinc/51/65/03/1071516503.db2.gz LAPWPDRIPUYEDT-UHFFFAOYSA-N 1 0 404.515 -0.572 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CC[NH+](CC3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000465128936 1071516973 /nfs/dbraw/zinc/51/69/73/1071516973.db2.gz QYDHUQNOXAPUCY-UHFFFAOYSA-N 1 0 403.483 -0.391 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465130031 1071517062 /nfs/dbraw/zinc/51/70/62/1071517062.db2.gz VEGAHJZRTVXZPF-UHFFFAOYSA-N 1 0 418.498 -0.902 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465136710 1071518465 /nfs/dbraw/zinc/51/84/65/1071518465.db2.gz SJVYBAKZJNSXEF-UHFFFAOYSA-N 1 0 404.515 -0.427 20 0 HBADRO Cn1c2c(ccn2CC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(=O)n(C)c1=O ZINC000465137273 1071520332 /nfs/dbraw/zinc/52/03/32/1071520332.db2.gz DMXWDXWTNXHRAJ-UHFFFAOYSA-N 1 0 412.450 -0.162 20 0 HBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465143598 1071518978 /nfs/dbraw/zinc/51/89/78/1071518978.db2.gz ARMXXMMWNHPPAJ-KRWDZBQOSA-N 1 0 417.510 -0.034 20 0 HBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465143611 1071518937 /nfs/dbraw/zinc/51/89/37/1071518937.db2.gz ARMXXMMWNHPPAJ-QGZVFWFLSA-N 1 0 417.510 -0.034 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000465164768 1071522936 /nfs/dbraw/zinc/52/29/36/1071522936.db2.gz DQXRGUBGVNEVSV-UHFFFAOYSA-N 1 0 417.510 0.000 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000465174574 1071523578 /nfs/dbraw/zinc/52/35/78/1071523578.db2.gz DRGAPJFKSFSFLW-UHFFFAOYSA-N 1 0 416.526 -0.287 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465176722 1071524157 /nfs/dbraw/zinc/52/41/57/1071524157.db2.gz VOOSSWGKPJYXML-HNNXBMFYSA-N 1 0 418.498 -0.902 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465176723 1071524241 /nfs/dbraw/zinc/52/42/41/1071524241.db2.gz VOOSSWGKPJYXML-OAHLLOKOSA-N 1 0 418.498 -0.902 20 0 HBADRO C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000465181826 1071524782 /nfs/dbraw/zinc/52/47/82/1071524782.db2.gz FNOMHHJDIFLAMY-GDBMZVCRSA-N 1 0 403.549 -0.381 20 0 HBADRO C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000465181827 1071524947 /nfs/dbraw/zinc/52/49/47/1071524947.db2.gz FNOMHHJDIFLAMY-GOEBONIOSA-N 1 0 403.549 -0.381 20 0 HBADRO C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000465181828 1071524756 /nfs/dbraw/zinc/52/47/56/1071524756.db2.gz FNOMHHJDIFLAMY-HOCLYGCPSA-N 1 0 403.549 -0.381 20 0 HBADRO C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000465181829 1071524878 /nfs/dbraw/zinc/52/48/78/1071524878.db2.gz FNOMHHJDIFLAMY-ZBFHGGJFSA-N 1 0 403.549 -0.381 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1=O ZINC000465230634 1071529332 /nfs/dbraw/zinc/52/93/32/1071529332.db2.gz BAIMZGDRYDMVPH-DLBZAZTESA-N 1 0 416.526 -0.238 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1=O ZINC000465230636 1071529558 /nfs/dbraw/zinc/52/95/58/1071529558.db2.gz BAIMZGDRYDMVPH-IAGOWNOFSA-N 1 0 416.526 -0.238 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1=O ZINC000465230638 1071529510 /nfs/dbraw/zinc/52/95/10/1071529510.db2.gz BAIMZGDRYDMVPH-IRXDYDNUSA-N 1 0 416.526 -0.238 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1=O ZINC000465230639 1071529213 /nfs/dbraw/zinc/52/92/13/1071529213.db2.gz BAIMZGDRYDMVPH-SJORKVTESA-N 1 0 416.526 -0.238 20 0 HBADRO CC[NH+](CC)CCOC1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000465252750 1071529479 /nfs/dbraw/zinc/52/94/79/1071529479.db2.gz KEHICACLHVZMAE-UHFFFAOYSA-N 1 0 420.514 -0.217 20 0 HBADRO CC[NH+](CC)CCOC1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000465269417 1071531594 /nfs/dbraw/zinc/53/15/94/1071531594.db2.gz YZAGERJJDUDNKX-UHFFFAOYSA-N 1 0 420.514 -0.217 20 0 HBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000465308140 1071533507 /nfs/dbraw/zinc/53/35/07/1071533507.db2.gz PRKDDWJRFFBXTN-HNNXBMFYSA-N 1 0 405.499 -0.108 20 0 HBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000465308141 1071533643 /nfs/dbraw/zinc/53/36/43/1071533643.db2.gz PRKDDWJRFFBXTN-OAHLLOKOSA-N 1 0 405.499 -0.108 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000465310957 1071533671 /nfs/dbraw/zinc/53/36/71/1071533671.db2.gz HANSORQDKBUZAR-CYBMUJFWSA-N 1 0 420.466 -0.050 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000465310958 1071533553 /nfs/dbraw/zinc/53/35/53/1071533553.db2.gz HANSORQDKBUZAR-ZDUSSCGKSA-N 1 0 420.466 -0.050 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000465314055 1071534249 /nfs/dbraw/zinc/53/42/49/1071534249.db2.gz FWKIAYPQZKGNER-INIZCTEOSA-N 1 0 408.503 -0.131 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000465314056 1071534221 /nfs/dbraw/zinc/53/42/21/1071534221.db2.gz FWKIAYPQZKGNER-MRXNPFEDSA-N 1 0 408.503 -0.131 20 0 HBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465319922 1071532987 /nfs/dbraw/zinc/53/29/87/1071532987.db2.gz SRBYBXHYCMPGOH-HNNXBMFYSA-N 1 0 405.499 -0.108 20 0 HBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465319923 1071532911 /nfs/dbraw/zinc/53/29/11/1071532911.db2.gz SRBYBXHYCMPGOH-OAHLLOKOSA-N 1 0 405.499 -0.108 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000465320545 1071532773 /nfs/dbraw/zinc/53/27/73/1071532773.db2.gz URHKEOMYJJIYSS-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000465320546 1071532849 /nfs/dbraw/zinc/53/28/49/1071532849.db2.gz URHKEOMYJJIYSS-CQSZACIVSA-N 1 0 411.528 -0.373 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000465324608 1071536285 /nfs/dbraw/zinc/53/62/85/1071536285.db2.gz HZPALYFWCKWTLK-KRWDZBQOSA-N 1 0 419.530 -0.462 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000465324611 1071536252 /nfs/dbraw/zinc/53/62/52/1071536252.db2.gz HZPALYFWCKWTLK-QGZVFWFLSA-N 1 0 419.530 -0.462 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000465324840 1071536141 /nfs/dbraw/zinc/53/61/41/1071536141.db2.gz ZOGLTBMZWCUVSB-UHFFFAOYSA-N 1 0 420.514 -0.129 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)c1 ZINC000465325084 1071536315 /nfs/dbraw/zinc/53/63/15/1071536315.db2.gz JMCSXAGQEMKDSR-UHFFFAOYSA-N 1 0 415.454 -0.338 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000465327407 1071536822 /nfs/dbraw/zinc/53/68/22/1071536822.db2.gz SSMMYXKPQYQQEZ-UHFFFAOYSA-N 1 0 405.503 -0.850 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000465327792 1071534299 /nfs/dbraw/zinc/53/42/99/1071534299.db2.gz UVZKZVJWQJDOQO-UHFFFAOYSA-N 1 0 406.487 -0.519 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000465330293 1071534697 /nfs/dbraw/zinc/53/46/97/1071534697.db2.gz RMZUYCUVVYOUON-UHFFFAOYSA-N 1 0 406.487 -0.519 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000465330691 1071534268 /nfs/dbraw/zinc/53/42/68/1071534268.db2.gz ZBBDLDWSIORCHK-HNNXBMFYSA-N 1 0 406.487 -0.519 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000465330692 1071534819 /nfs/dbraw/zinc/53/48/19/1071534819.db2.gz ZBBDLDWSIORCHK-OAHLLOKOSA-N 1 0 406.487 -0.519 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000465352927 1071536830 /nfs/dbraw/zinc/53/68/30/1071536830.db2.gz KJNVAJACGJLPTF-UHFFFAOYSA-N 1 0 418.498 -0.463 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(OCC[NH+]3CCCC3)CC1)c(=O)n2C ZINC000465360758 1071538298 /nfs/dbraw/zinc/53/82/98/1071538298.db2.gz APJMUILLHCZPBB-UHFFFAOYSA-N 1 0 418.498 -0.463 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1=O ZINC000465377649 1071539485 /nfs/dbraw/zinc/53/94/85/1071539485.db2.gz XXZHSFXSVPZNTM-IGMJJTELSA-N 1 0 405.499 -0.186 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1=O ZINC000465377653 1071539394 /nfs/dbraw/zinc/53/93/94/1071539394.db2.gz XXZHSFXSVPZNTM-ODCFSMADSA-N 1 0 405.499 -0.186 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1=O ZINC000465377655 1071539236 /nfs/dbraw/zinc/53/92/36/1071539236.db2.gz XXZHSFXSVPZNTM-RDNQGFKOSA-N 1 0 405.499 -0.186 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1=O ZINC000465377660 1071539343 /nfs/dbraw/zinc/53/93/43/1071539343.db2.gz XXZHSFXSVPZNTM-RTEYEHBSSA-N 1 0 405.499 -0.186 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000465399766 1071589095 /nfs/dbraw/zinc/58/90/95/1071589095.db2.gz HHLFABUMPXXKIX-INIZCTEOSA-N 1 0 407.515 -0.033 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000465399772 1071589157 /nfs/dbraw/zinc/58/91/57/1071589157.db2.gz HHLFABUMPXXKIX-MRXNPFEDSA-N 1 0 407.515 -0.033 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000465418645 1071614924 /nfs/dbraw/zinc/61/49/24/1071614924.db2.gz UOCHRNXZQHTOCX-GXTWGEPZSA-N 1 0 406.468 0.040 20 0 HBADRO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000465418649 1071614780 /nfs/dbraw/zinc/61/47/80/1071614780.db2.gz UOCHRNXZQHTOCX-JSGCOSHPSA-N 1 0 406.468 0.040 20 0 HBADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000465418650 1071614833 /nfs/dbraw/zinc/61/48/33/1071614833.db2.gz UOCHRNXZQHTOCX-OCCSQVGLSA-N 1 0 406.468 0.040 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000465418651 1071614899 /nfs/dbraw/zinc/61/48/99/1071614899.db2.gz UOCHRNXZQHTOCX-TZMCWYRMSA-N 1 0 406.468 0.040 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@](C)(O)CN3CCOCC3)ccn2)CC1 ZINC000465520639 1071750447 /nfs/dbraw/zinc/75/04/47/1071750447.db2.gz UZTGNDHSSGIPFW-FQEVSTJZSA-N 1 0 406.531 -0.284 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@](C)(O)CN3CCOCC3)ccn2)CC1 ZINC000465520640 1071750540 /nfs/dbraw/zinc/75/05/40/1071750540.db2.gz UZTGNDHSSGIPFW-HXUWFJFHSA-N 1 0 406.531 -0.284 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465551406 1071971938 /nfs/dbraw/zinc/97/19/38/1071971938.db2.gz WMJJWCDSTPUJLO-INIZCTEOSA-N 1 0 403.531 -0.104 20 0 HBADRO C[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465551408 1071971972 /nfs/dbraw/zinc/97/19/72/1071971972.db2.gz WMJJWCDSTPUJLO-MRXNPFEDSA-N 1 0 403.531 -0.104 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000465563651 1072133973 /nfs/dbraw/zinc/13/39/73/1072133973.db2.gz DXIOUPZOSCIMKC-FQEVSTJZSA-N 1 0 406.531 -0.284 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)CN3CCOCC3)cn2)CC1 ZINC000465563652 1072133924 /nfs/dbraw/zinc/13/39/24/1072133924.db2.gz DXIOUPZOSCIMKC-HXUWFJFHSA-N 1 0 406.531 -0.284 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCN(C)CC1 ZINC000465567909 1072166105 /nfs/dbraw/zinc/16/61/05/1072166105.db2.gz JFPMQJPQQKVUOP-KRWDZBQOSA-N 1 0 405.547 -0.116 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCN(C)CC1 ZINC000465567921 1072166220 /nfs/dbraw/zinc/16/62/20/1072166220.db2.gz JFPMQJPQQKVUOP-QGZVFWFLSA-N 1 0 405.547 -0.116 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000465571696 1072171035 /nfs/dbraw/zinc/17/10/35/1072171035.db2.gz HSPIDUQUMJJTMF-GOSISDBHSA-N 1 0 412.579 -0.652 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000465571704 1072170832 /nfs/dbraw/zinc/17/08/32/1072170832.db2.gz HSPIDUQUMJJTMF-SFHVURJKSA-N 1 0 412.579 -0.652 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465588101 1069000122 /nfs/dbraw/zinc/00/01/22/1069000122.db2.gz BLPHDTFRFNFHGI-UHFFFAOYSA-N 1 0 415.516 -0.056 20 0 HBADRO C[C@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465654378 1069157587 /nfs/dbraw/zinc/15/75/87/1069157587.db2.gz OMJIKKANBWCKEW-GOSISDBHSA-N 1 0 404.563 -0.219 20 0 HBADRO C[C@@H](CNC(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465654390 1069158426 /nfs/dbraw/zinc/15/84/26/1069158426.db2.gz OMJIKKANBWCKEW-SFHVURJKSA-N 1 0 404.563 -0.219 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000465671434 1069160717 /nfs/dbraw/zinc/16/07/17/1069160717.db2.gz VDMBXIGHJAHPTG-CHWSQXEVSA-N 1 0 413.500 -0.123 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000465671435 1069160541 /nfs/dbraw/zinc/16/05/41/1069160541.db2.gz VDMBXIGHJAHPTG-OLZOCXBDSA-N 1 0 413.500 -0.123 20 0 HBADRO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000465671437 1069160594 /nfs/dbraw/zinc/16/05/94/1069160594.db2.gz VDMBXIGHJAHPTG-QWHCGFSZSA-N 1 0 413.500 -0.123 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000465671439 1069160693 /nfs/dbraw/zinc/16/06/93/1069160693.db2.gz VDMBXIGHJAHPTG-STQMWFEESA-N 1 0 413.500 -0.123 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465700127 1069162338 /nfs/dbraw/zinc/16/23/38/1069162338.db2.gz VMGLKUNHRWVPEL-UHFFFAOYSA-N 1 0 403.505 -0.200 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000465726947 1069167413 /nfs/dbraw/zinc/16/74/13/1069167413.db2.gz UULWSFJVKKCZSP-UHFFFAOYSA-N 1 0 415.516 -0.058 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@](C)(O)CN2CCOCC2)CC1 ZINC000465768224 1069176322 /nfs/dbraw/zinc/17/63/22/1069176322.db2.gz HFUVJROHEUFQBR-FQEVSTJZSA-N 1 0 406.531 -0.284 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@](C)(O)CN2CCOCC2)CC1 ZINC000465768225 1069176161 /nfs/dbraw/zinc/17/61/61/1069176161.db2.gz HFUVJROHEUFQBR-HXUWFJFHSA-N 1 0 406.531 -0.284 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000465802831 1069179924 /nfs/dbraw/zinc/17/99/24/1069179924.db2.gz AZPCWAGTKQIWSL-UHFFFAOYSA-N 1 0 424.590 -0.365 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465826492 1069182347 /nfs/dbraw/zinc/18/23/47/1069182347.db2.gz ORJREMVQTZSMSU-AEFFLSMTSA-N 1 0 422.574 -0.077 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465826493 1069182422 /nfs/dbraw/zinc/18/24/22/1069182422.db2.gz ORJREMVQTZSMSU-FUHWJXTLSA-N 1 0 422.574 -0.077 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465826494 1069182463 /nfs/dbraw/zinc/18/24/63/1069182463.db2.gz ORJREMVQTZSMSU-SJLPKXTDSA-N 1 0 422.574 -0.077 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465826495 1069182267 /nfs/dbraw/zinc/18/22/67/1069182267.db2.gz ORJREMVQTZSMSU-WMZOPIPTSA-N 1 0 422.574 -0.077 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000465829536 1069182247 /nfs/dbraw/zinc/18/22/47/1069182247.db2.gz DSMDUEIBUQVSPV-INIZCTEOSA-N 1 0 419.530 -0.445 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000465829539 1069182477 /nfs/dbraw/zinc/18/24/77/1069182477.db2.gz DSMDUEIBUQVSPV-MRXNPFEDSA-N 1 0 419.530 -0.445 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000465850443 1069185924 /nfs/dbraw/zinc/18/59/24/1069185924.db2.gz SNNAQJQRIUGZRO-NRFANRHFSA-N 1 0 421.542 -0.140 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000465850456 1069185804 /nfs/dbraw/zinc/18/58/04/1069185804.db2.gz SNNAQJQRIUGZRO-OAQYLSRUSA-N 1 0 421.542 -0.140 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000465859371 1069197553 /nfs/dbraw/zinc/19/75/53/1069197553.db2.gz KUZQPPGLBGJTJF-UHFFFAOYSA-N 1 0 411.547 -0.279 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465868135 1069200112 /nfs/dbraw/zinc/20/01/12/1069200112.db2.gz GCTLFDPJBDZKTF-INIZCTEOSA-N 1 0 415.516 -0.058 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465868136 1069200206 /nfs/dbraw/zinc/20/02/06/1069200206.db2.gz GCTLFDPJBDZKTF-MRXNPFEDSA-N 1 0 415.516 -0.058 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465871297 1069200577 /nfs/dbraw/zinc/20/05/77/1069200577.db2.gz GHCREBZLVMQHKG-HNNXBMFYSA-N 1 0 400.505 -0.923 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465871302 1069200831 /nfs/dbraw/zinc/20/08/31/1069200831.db2.gz GHCREBZLVMQHKG-OAHLLOKOSA-N 1 0 400.505 -0.923 20 0 HBADRO C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C[NH+]1CCN(C)CC1 ZINC000465873243 1069200963 /nfs/dbraw/zinc/20/09/63/1069200963.db2.gz IIEHUNMQJXFVSX-DLBZAZTESA-N 1 0 419.592 -0.342 20 0 HBADRO C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C[NH+]1CCN(C)CC1 ZINC000465873256 1069200679 /nfs/dbraw/zinc/20/06/79/1069200679.db2.gz IIEHUNMQJXFVSX-IAGOWNOFSA-N 1 0 419.592 -0.342 20 0 HBADRO C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C[NH+]1CCN(C)CC1 ZINC000465873257 1069201007 /nfs/dbraw/zinc/20/10/07/1069201007.db2.gz IIEHUNMQJXFVSX-IRXDYDNUSA-N 1 0 419.592 -0.342 20 0 HBADRO C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C[NH+]1CCN(C)CC1 ZINC000465873258 1069200634 /nfs/dbraw/zinc/20/06/34/1069200634.db2.gz IIEHUNMQJXFVSX-SJORKVTESA-N 1 0 419.592 -0.342 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000465880882 1069203254 /nfs/dbraw/zinc/20/32/54/1069203254.db2.gz XPWBIJXESWAFOT-UHFFFAOYSA-N 1 0 419.530 -0.445 20 0 HBADRO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000465894895 1069209511 /nfs/dbraw/zinc/20/95/11/1069209511.db2.gz BPSAZBNPCIJMLO-HNNXBMFYSA-N 1 0 407.606 -0.452 20 0 HBADRO C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000465894908 1069209617 /nfs/dbraw/zinc/20/96/17/1069209617.db2.gz BPSAZBNPCIJMLO-OAHLLOKOSA-N 1 0 407.606 -0.452 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000465899461 1069210140 /nfs/dbraw/zinc/21/01/40/1069210140.db2.gz GQFMQGHJYRQPJI-UHFFFAOYSA-N 1 0 413.563 -0.034 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000465905348 1069210906 /nfs/dbraw/zinc/21/09/06/1069210906.db2.gz MNVFZVMLOKXMPM-INIZCTEOSA-N 1 0 421.633 -0.062 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000465905349 1069210708 /nfs/dbraw/zinc/21/07/08/1069210708.db2.gz MNVFZVMLOKXMPM-MRXNPFEDSA-N 1 0 421.633 -0.062 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465909635 1069212583 /nfs/dbraw/zinc/21/25/83/1069212583.db2.gz SUOGAIZOPGWMQF-HNNXBMFYSA-N 1 0 414.532 -0.533 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465909639 1069212465 /nfs/dbraw/zinc/21/24/65/1069212465.db2.gz SUOGAIZOPGWMQF-OAHLLOKOSA-N 1 0 414.532 -0.533 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCOCC1 ZINC000465916724 1069213588 /nfs/dbraw/zinc/21/35/88/1069213588.db2.gz AIJGSOUJJUTWRX-UHFFFAOYSA-N 1 0 415.516 -0.058 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2=O)n1 ZINC000465922750 1069215549 /nfs/dbraw/zinc/21/55/49/1069215549.db2.gz DAOXYEROXMKFHB-KRWDZBQOSA-N 1 0 421.546 -0.395 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2=O)n1 ZINC000465922781 1069215610 /nfs/dbraw/zinc/21/56/10/1069215610.db2.gz DAOXYEROXMKFHB-QGZVFWFLSA-N 1 0 421.546 -0.395 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2=O)cn1 ZINC000465934254 1069218408 /nfs/dbraw/zinc/21/84/08/1069218408.db2.gz ORJNVZYNIBFXFL-GOSISDBHSA-N 1 0 421.546 -0.395 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)NCCCC[NH+]3CCN(CCO)CC3)C2=O)cn1 ZINC000465934255 1069218548 /nfs/dbraw/zinc/21/85/48/1069218548.db2.gz ORJNVZYNIBFXFL-SFHVURJKSA-N 1 0 421.546 -0.395 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000465939661 1069221954 /nfs/dbraw/zinc/22/19/54/1069221954.db2.gz XHLNKGUGSMXIKX-GOSISDBHSA-N 1 0 424.590 -0.629 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000465939662 1069221702 /nfs/dbraw/zinc/22/17/02/1069221702.db2.gz XHLNKGUGSMXIKX-SFHVURJKSA-N 1 0 424.590 -0.629 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000465947309 1069223202 /nfs/dbraw/zinc/22/32/02/1069223202.db2.gz IQQGOVBHHYKQRT-KRWDZBQOSA-N 1 0 410.563 -0.360 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000465947310 1069223251 /nfs/dbraw/zinc/22/32/51/1069223251.db2.gz IQQGOVBHHYKQRT-QGZVFWFLSA-N 1 0 410.563 -0.360 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)c1=O ZINC000465950107 1069225969 /nfs/dbraw/zinc/22/59/69/1069225969.db2.gz LSVZVBGWADCXSU-HNNXBMFYSA-N 1 0 405.503 -0.801 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1=O ZINC000465950108 1069225891 /nfs/dbraw/zinc/22/58/91/1069225891.db2.gz LSVZVBGWADCXSU-OAHLLOKOSA-N 1 0 405.503 -0.801 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000465950110 1069226061 /nfs/dbraw/zinc/22/60/61/1069226061.db2.gz LUPPCFUEDWDMJU-GOSISDBHSA-N 1 0 422.574 -0.231 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000465950111 1069225828 /nfs/dbraw/zinc/22/58/28/1069225828.db2.gz LUPPCFUEDWDMJU-SFHVURJKSA-N 1 0 422.574 -0.231 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000465950956 1069226149 /nfs/dbraw/zinc/22/61/49/1069226149.db2.gz PSCGWRLWALRCCZ-AWEZNQCLSA-N 1 0 401.489 -0.448 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000465950959 1069225793 /nfs/dbraw/zinc/22/57/93/1069225793.db2.gz PSCGWRLWALRCCZ-CQSZACIVSA-N 1 0 401.489 -0.448 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465954449 1069228363 /nfs/dbraw/zinc/22/83/63/1069228363.db2.gz MYRURNXZOJDZDK-KRWDZBQOSA-N 1 0 410.563 -0.231 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465954450 1069228337 /nfs/dbraw/zinc/22/83/37/1069228337.db2.gz MYRURNXZOJDZDK-QGZVFWFLSA-N 1 0 410.563 -0.231 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000465956528 1069229701 /nfs/dbraw/zinc/22/97/01/1069229701.db2.gz HXDYBMHGKQUAFB-UHFFFAOYSA-N 1 0 416.548 -0.159 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000465958358 1069229800 /nfs/dbraw/zinc/22/98/00/1069229800.db2.gz RLACFWBSBFOFIF-GOSISDBHSA-N 1 0 422.574 -0.087 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000465958359 1069229983 /nfs/dbraw/zinc/22/99/83/1069229983.db2.gz RLACFWBSBFOFIF-SFHVURJKSA-N 1 0 422.574 -0.087 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000465958882 1069231021 /nfs/dbraw/zinc/23/10/21/1069231021.db2.gz SXUMSZFCXLBKOB-CABCVRRESA-N 1 0 405.503 -0.280 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000465958887 1069231093 /nfs/dbraw/zinc/23/10/93/1069231093.db2.gz SXUMSZFCXLBKOB-GJZGRUSLSA-N 1 0 405.503 -0.280 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000465958889 1069231251 /nfs/dbraw/zinc/23/12/51/1069231251.db2.gz SXUMSZFCXLBKOB-HUUCEWRRSA-N 1 0 405.503 -0.280 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000465958892 1069230901 /nfs/dbraw/zinc/23/09/01/1069230901.db2.gz SXUMSZFCXLBKOB-LSDHHAIUSA-N 1 0 405.503 -0.280 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000465959139 1069229954 /nfs/dbraw/zinc/22/99/54/1069229954.db2.gz SXHOUFGOQKQSGP-DLBZAZTESA-N 1 0 409.531 -0.146 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000465959145 1069229772 /nfs/dbraw/zinc/22/97/72/1069229772.db2.gz SXHOUFGOQKQSGP-IAGOWNOFSA-N 1 0 409.531 -0.146 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000465959147 1069230011 /nfs/dbraw/zinc/23/00/11/1069230011.db2.gz SXHOUFGOQKQSGP-IRXDYDNUSA-N 1 0 409.531 -0.146 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000465959150 1069229916 /nfs/dbraw/zinc/22/99/16/1069229916.db2.gz SXHOUFGOQKQSGP-SJORKVTESA-N 1 0 409.531 -0.146 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465959553 1069229837 /nfs/dbraw/zinc/22/98/37/1069229837.db2.gz UXDZFRSLRKZCFR-HNNXBMFYSA-N 1 0 417.514 -0.401 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465959557 1069229861 /nfs/dbraw/zinc/22/98/61/1069229861.db2.gz UXDZFRSLRKZCFR-OAHLLOKOSA-N 1 0 417.514 -0.401 20 0 HBADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CCO2)n1 ZINC000465959694 1069231040 /nfs/dbraw/zinc/23/10/40/1069231040.db2.gz TYXXNXKZGUUJJR-DLBZAZTESA-N 1 0 407.519 -0.107 20 0 HBADRO Cc1nc(C)n(C[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CCO2)n1 ZINC000465959695 1069231214 /nfs/dbraw/zinc/23/12/14/1069231214.db2.gz TYXXNXKZGUUJJR-IAGOWNOFSA-N 1 0 407.519 -0.107 20 0 HBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CCO2)n1 ZINC000465959696 1069231121 /nfs/dbraw/zinc/23/11/21/1069231121.db2.gz TYXXNXKZGUUJJR-IRXDYDNUSA-N 1 0 407.519 -0.107 20 0 HBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CCO2)n1 ZINC000465959697 1069230918 /nfs/dbraw/zinc/23/09/18/1069230918.db2.gz TYXXNXKZGUUJJR-SJORKVTESA-N 1 0 407.519 -0.107 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465962161 1069230401 /nfs/dbraw/zinc/23/04/01/1069230401.db2.gz WVAGSOUQYNMBDP-CABCVRRESA-N 1 0 403.549 -0.313 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465962164 1069230519 /nfs/dbraw/zinc/23/05/19/1069230519.db2.gz WVAGSOUQYNMBDP-GJZGRUSLSA-N 1 0 403.549 -0.313 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465962166 1069230480 /nfs/dbraw/zinc/23/04/80/1069230480.db2.gz WVAGSOUQYNMBDP-HUUCEWRRSA-N 1 0 403.549 -0.313 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465962168 1069230303 /nfs/dbraw/zinc/23/03/03/1069230303.db2.gz WVAGSOUQYNMBDP-LSDHHAIUSA-N 1 0 403.549 -0.313 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465970301 1069232791 /nfs/dbraw/zinc/23/27/91/1069232791.db2.gz DCOVKOYFXSVBTN-KRWDZBQOSA-N 1 0 413.544 -0.317 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465970303 1069232554 /nfs/dbraw/zinc/23/25/54/1069232554.db2.gz DCOVKOYFXSVBTN-QGZVFWFLSA-N 1 0 413.544 -0.317 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465971593 1069233327 /nfs/dbraw/zinc/23/33/27/1069233327.db2.gz GYWKKHGKZYZGEI-GDBMZVCRSA-N 1 0 403.549 -0.190 20 0 HBADRO C[C@H]1C[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465971594 1069233709 /nfs/dbraw/zinc/23/37/09/1069233709.db2.gz GYWKKHGKZYZGEI-GOEBONIOSA-N 1 0 403.549 -0.190 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465971595 1069233772 /nfs/dbraw/zinc/23/37/72/1069233772.db2.gz GYWKKHGKZYZGEI-HOCLYGCPSA-N 1 0 403.549 -0.190 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000465971596 1069233821 /nfs/dbraw/zinc/23/38/21/1069233821.db2.gz GYWKKHGKZYZGEI-ZBFHGGJFSA-N 1 0 403.549 -0.190 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000465972251 1069233785 /nfs/dbraw/zinc/23/37/85/1069233785.db2.gz JEUHGGRHOVVIKB-KRWDZBQOSA-N 1 0 411.547 -0.423 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000465972252 1069233853 /nfs/dbraw/zinc/23/38/53/1069233853.db2.gz JEUHGGRHOVVIKB-QGZVFWFLSA-N 1 0 411.547 -0.423 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000465993363 1069266726 /nfs/dbraw/zinc/26/67/26/1069266726.db2.gz XETQSHHZUMDYLI-INIZCTEOSA-N 1 0 403.549 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000465993364 1069266753 /nfs/dbraw/zinc/26/67/53/1069266753.db2.gz XETQSHHZUMDYLI-MRXNPFEDSA-N 1 0 403.549 -0.189 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000465999249 1069269149 /nfs/dbraw/zinc/26/91/49/1069269149.db2.gz RDVQJDITEUCSSX-UHFFFAOYSA-N 1 0 421.564 -0.705 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)Cc2ccccc2C1 ZINC000466005172 1069272463 /nfs/dbraw/zinc/27/24/63/1069272463.db2.gz GHNMPLPZSWPDND-UHFFFAOYSA-N 1 0 412.498 -0.374 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000466051294 1069280709 /nfs/dbraw/zinc/28/07/09/1069280709.db2.gz POYDFYLPVVMSRJ-CVEARBPZSA-N 1 0 402.565 -0.712 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000466051300 1069280675 /nfs/dbraw/zinc/28/06/75/1069280675.db2.gz POYDFYLPVVMSRJ-HOTGVXAUSA-N 1 0 402.565 -0.712 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000466051302 1069280879 /nfs/dbraw/zinc/28/08/79/1069280879.db2.gz POYDFYLPVVMSRJ-HZPDHXFCSA-N 1 0 402.565 -0.712 20 0 HBADRO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000466051305 1069280760 /nfs/dbraw/zinc/28/07/60/1069280760.db2.gz POYDFYLPVVMSRJ-JKSUJKDBSA-N 1 0 402.565 -0.712 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000466079592 1069284417 /nfs/dbraw/zinc/28/44/17/1069284417.db2.gz XEGCKIJHDCKWQH-UHFFFAOYSA-N 1 0 403.505 -0.200 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000466091062 1069286086 /nfs/dbraw/zinc/28/60/86/1069286086.db2.gz DICDNGQMJODIAE-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000466107230 1069288154 /nfs/dbraw/zinc/28/81/54/1069288154.db2.gz CACOCXVCPLVKQO-KRWDZBQOSA-N 1 0 405.547 -0.115 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000466107231 1069288440 /nfs/dbraw/zinc/28/84/40/1069288440.db2.gz CACOCXVCPLVKQO-QGZVFWFLSA-N 1 0 405.547 -0.115 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000466110494 1069289100 /nfs/dbraw/zinc/28/91/00/1069289100.db2.gz QRNHGXCFZNUMHL-IBGZPJMESA-N 1 0 424.590 -0.554 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000466110496 1069288856 /nfs/dbraw/zinc/28/88/56/1069288856.db2.gz QRNHGXCFZNUMHL-LJQANCHMSA-N 1 0 424.590 -0.554 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000466113147 1069289041 /nfs/dbraw/zinc/28/90/41/1069289041.db2.gz RMEWXQWCMHFFPD-GOSISDBHSA-N 1 0 422.574 -0.264 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000466113148 1069288906 /nfs/dbraw/zinc/28/89/06/1069288906.db2.gz RMEWXQWCMHFFPD-SFHVURJKSA-N 1 0 422.574 -0.264 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC000466128721 1069292857 /nfs/dbraw/zinc/29/28/57/1069292857.db2.gz GVZNPFDMUSCNAQ-KRWDZBQOSA-N 1 0 410.563 -0.362 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC000466128728 1069292675 /nfs/dbraw/zinc/29/26/75/1069292675.db2.gz GVZNPFDMUSCNAQ-QGZVFWFLSA-N 1 0 410.563 -0.362 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466129546 1069292783 /nfs/dbraw/zinc/29/27/83/1069292783.db2.gz HCVXWRDUMMTPPD-KRWDZBQOSA-N 1 0 424.571 -0.019 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000466129548 1069292713 /nfs/dbraw/zinc/29/27/13/1069292713.db2.gz HCVXWRDUMMTPPD-QGZVFWFLSA-N 1 0 424.571 -0.019 20 0 HBADRO C[C@H](CNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000466130282 1069292567 /nfs/dbraw/zinc/29/25/67/1069292567.db2.gz JWRHEYRJSQGNTB-CYBMUJFWSA-N 1 0 403.487 -0.363 20 0 HBADRO C[C@@H](CNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000466130283 1069292812 /nfs/dbraw/zinc/29/28/12/1069292812.db2.gz JWRHEYRJSQGNTB-ZDUSSCGKSA-N 1 0 403.487 -0.363 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)no1 ZINC000466132397 1069596126 /nfs/dbraw/zinc/59/61/26/1069596126.db2.gz NJAAHHOHBCYHMN-INIZCTEOSA-N 1 0 421.546 0.132 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)no1 ZINC000466132398 1069293497 /nfs/dbraw/zinc/29/34/97/1069293497.db2.gz NJAAHHOHBCYHMN-MRXNPFEDSA-N 1 0 421.546 0.132 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466133876 1069294709 /nfs/dbraw/zinc/29/47/09/1069294709.db2.gz OAVXWNTWYWKYQX-KRWDZBQOSA-N 1 0 408.547 -0.654 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466133877 1069294508 /nfs/dbraw/zinc/29/45/08/1069294508.db2.gz OAVXWNTWYWKYQX-QGZVFWFLSA-N 1 0 408.547 -0.654 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000466134872 1069294014 /nfs/dbraw/zinc/29/40/14/1069294014.db2.gz HKTPCGHBHAPZTQ-INIZCTEOSA-N 1 0 403.531 -0.104 20 0 HBADRO C[C@H](CNC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000466134874 1069293846 /nfs/dbraw/zinc/29/38/46/1069293846.db2.gz HKTPCGHBHAPZTQ-MRXNPFEDSA-N 1 0 403.531 -0.104 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000466145617 1069295474 /nfs/dbraw/zinc/29/54/74/1069295474.db2.gz QAQPWCUZHXJYFA-INIZCTEOSA-N 1 0 408.547 -0.608 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000466145619 1069295413 /nfs/dbraw/zinc/29/54/13/1069295413.db2.gz QAQPWCUZHXJYFA-MRXNPFEDSA-N 1 0 408.547 -0.608 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CC(=O)NCCOC)CC2)CC1 ZINC000466146297 1069295025 /nfs/dbraw/zinc/29/50/25/1069295025.db2.gz QXRWEVVFGYGHHN-GOSISDBHSA-N 1 0 412.579 -0.650 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CC(=O)NCCOC)CC2)CC1 ZINC000466146306 1069295446 /nfs/dbraw/zinc/29/54/46/1069295446.db2.gz QXRWEVVFGYGHHN-SFHVURJKSA-N 1 0 412.579 -0.650 20 0 HBADRO C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466150574 1069295304 /nfs/dbraw/zinc/29/53/04/1069295304.db2.gz ZMAASDCACTZDTR-MOPGFXCFSA-N 1 0 424.590 -0.556 20 0 HBADRO C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466150575 1069295152 /nfs/dbraw/zinc/29/51/52/1069295152.db2.gz ZMAASDCACTZDTR-OALUTQOASA-N 1 0 424.590 -0.556 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000466150576 1069295271 /nfs/dbraw/zinc/29/52/71/1069295271.db2.gz ZMAASDCACTZDTR-RBUKOAKNSA-N 1 0 424.590 -0.556 20 0 HBADRO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466150577 1069295514 /nfs/dbraw/zinc/29/55/14/1069295514.db2.gz ZMAASDCACTZDTR-RTBURBONSA-N 1 0 424.590 -0.556 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152042 1069295099 /nfs/dbraw/zinc/29/50/99/1069295099.db2.gz XQKZPFHUKXRLQK-GOSISDBHSA-N 1 0 410.563 -0.944 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152043 1069295385 /nfs/dbraw/zinc/29/53/85/1069295385.db2.gz XQKZPFHUKXRLQK-SFHVURJKSA-N 1 0 410.563 -0.944 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000466234306 1069312568 /nfs/dbraw/zinc/31/25/68/1069312568.db2.gz GLCPLGWFINORJA-CABCVRRESA-N 1 0 407.519 -0.019 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000466234307 1069312726 /nfs/dbraw/zinc/31/27/26/1069312726.db2.gz GLCPLGWFINORJA-GJZGRUSLSA-N 1 0 407.519 -0.019 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000466234308 1069312417 /nfs/dbraw/zinc/31/24/17/1069312417.db2.gz GLCPLGWFINORJA-HUUCEWRRSA-N 1 0 407.519 -0.019 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000466234309 1069312622 /nfs/dbraw/zinc/31/26/22/1069312622.db2.gz GLCPLGWFINORJA-LSDHHAIUSA-N 1 0 407.519 -0.019 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466239875 1069313620 /nfs/dbraw/zinc/31/36/20/1069313620.db2.gz SFLQNRSWRKRWME-INIZCTEOSA-N 1 0 402.503 -0.202 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466239876 1069313717 /nfs/dbraw/zinc/31/37/17/1069313717.db2.gz SFLQNRSWRKRWME-MRXNPFEDSA-N 1 0 402.503 -0.202 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000466256911 1069315806 /nfs/dbraw/zinc/31/58/06/1069315806.db2.gz RENWJYRDLWIJLO-INIZCTEOSA-N 1 0 417.514 -0.217 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000466256918 1069315668 /nfs/dbraw/zinc/31/56/68/1069315668.db2.gz RENWJYRDLWIJLO-MRXNPFEDSA-N 1 0 417.514 -0.217 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000466299217 1069318356 /nfs/dbraw/zinc/31/83/56/1069318356.db2.gz PLFINYPERFKSRR-GOSISDBHSA-N 1 0 421.542 -0.037 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000466299218 1069318305 /nfs/dbraw/zinc/31/83/05/1069318305.db2.gz PLFINYPERFKSRR-SFHVURJKSA-N 1 0 421.542 -0.037 20 0 HBADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000466311714 1069319360 /nfs/dbraw/zinc/31/93/60/1069319360.db2.gz TWZLEOFFWILBHH-CABCVRRESA-N 1 0 400.487 -0.144 20 0 HBADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000466311715 1069319519 /nfs/dbraw/zinc/31/95/19/1069319519.db2.gz TWZLEOFFWILBHH-GJZGRUSLSA-N 1 0 400.487 -0.144 20 0 HBADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000466311716 1069319662 /nfs/dbraw/zinc/31/96/62/1069319662.db2.gz TWZLEOFFWILBHH-HUUCEWRRSA-N 1 0 400.487 -0.144 20 0 HBADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000466311717 1069319441 /nfs/dbraw/zinc/31/94/41/1069319441.db2.gz TWZLEOFFWILBHH-LSDHHAIUSA-N 1 0 400.487 -0.144 20 0 HBADRO C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)N(C)C ZINC000466359229 1069326000 /nfs/dbraw/zinc/32/60/00/1069326000.db2.gz KSRMUIHJLWLLEG-JLTOFOAXSA-N 1 0 401.467 -0.224 20 0 HBADRO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)N(C)C ZINC000466359230 1069325943 /nfs/dbraw/zinc/32/59/43/1069325943.db2.gz KSRMUIHJLWLLEG-VBKZILBWSA-N 1 0 401.467 -0.224 20 0 HBADRO C[C@@H](NC(=O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)N(C)C ZINC000466359231 1069325761 /nfs/dbraw/zinc/32/57/61/1069325761.db2.gz KSRMUIHJLWLLEG-VLIAUNLRSA-N 1 0 401.467 -0.224 20 0 HBADRO C[C@H](NC(=O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C(=O)N(C)C ZINC000466359232 1069325684 /nfs/dbraw/zinc/32/56/84/1069325684.db2.gz KSRMUIHJLWLLEG-XOBRGWDASA-N 1 0 401.467 -0.224 20 0 HBADRO NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000466364216 1069326431 /nfs/dbraw/zinc/32/64/31/1069326431.db2.gz IWGNNYXSLKFWPP-HRAATJIYSA-N 1 0 413.478 -0.093 20 0 HBADRO NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000466364217 1069326618 /nfs/dbraw/zinc/32/66/18/1069326618.db2.gz IWGNNYXSLKFWPP-IERDGZPVSA-N 1 0 413.478 -0.093 20 0 HBADRO NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000466364218 1069326204 /nfs/dbraw/zinc/32/62/04/1069326204.db2.gz IWGNNYXSLKFWPP-IIBYNOLFSA-N 1 0 413.478 -0.093 20 0 HBADRO NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000466364219 1069326516 /nfs/dbraw/zinc/32/65/16/1069326516.db2.gz IWGNNYXSLKFWPP-KKSFZXQISA-N 1 0 413.478 -0.093 20 0 HBADRO Cc1cc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2=O)n(C)n1 ZINC000466479566 1069341615 /nfs/dbraw/zinc/34/16/15/1069341615.db2.gz YFHMKKUMWACNRG-CABCVRRESA-N 1 0 405.503 -0.137 20 0 HBADRO Cc1cc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2=O)n(C)n1 ZINC000466479567 1069341875 /nfs/dbraw/zinc/34/18/75/1069341875.db2.gz YFHMKKUMWACNRG-GJZGRUSLSA-N 1 0 405.503 -0.137 20 0 HBADRO Cc1cc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)C2=O)n(C)n1 ZINC000466479568 1069341757 /nfs/dbraw/zinc/34/17/57/1069341757.db2.gz YFHMKKUMWACNRG-HUUCEWRRSA-N 1 0 405.503 -0.137 20 0 HBADRO Cc1cc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)C2=O)n(C)n1 ZINC000466479569 1069342004 /nfs/dbraw/zinc/34/20/04/1069342004.db2.gz YFHMKKUMWACNRG-LSDHHAIUSA-N 1 0 405.503 -0.137 20 0 HBADRO O=C(CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)NCC(=O)N1CCCC1 ZINC000466495166 1069346084 /nfs/dbraw/zinc/34/60/84/1069346084.db2.gz JLPLLTHLQLUABJ-NRFANRHFSA-N 1 0 413.478 -0.079 20 0 HBADRO O=C(CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)NCC(=O)N1CCCC1 ZINC000466495167 1069345784 /nfs/dbraw/zinc/34/57/84/1069345784.db2.gz JLPLLTHLQLUABJ-OAQYLSRUSA-N 1 0 413.478 -0.079 20 0 HBADRO CC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000466497743 1069344751 /nfs/dbraw/zinc/34/47/51/1069344751.db2.gz URFAYSMSRDTEGQ-NRFANRHFSA-N 1 0 413.478 -0.126 20 0 HBADRO CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000466497744 1069344636 /nfs/dbraw/zinc/34/46/36/1069344636.db2.gz URFAYSMSRDTEGQ-OAQYLSRUSA-N 1 0 413.478 -0.126 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc2sccc2c1=O ZINC000466521152 1069348902 /nfs/dbraw/zinc/34/89/02/1069348902.db2.gz GBMSCBRMADAJAC-UHFFFAOYSA-N 1 0 407.496 -0.293 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2c(ncnc2N(C)C)n1C ZINC000466527844 1069349377 /nfs/dbraw/zinc/34/93/77/1069349377.db2.gz FUEPOJHJSJKXSR-UHFFFAOYSA-N 1 0 417.514 -0.103 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000466529492 1069349944 /nfs/dbraw/zinc/34/99/44/1069349944.db2.gz OEQLLVSDKOZXIY-UHFFFAOYSA-N 1 0 401.471 -0.411 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000466530868 1069350491 /nfs/dbraw/zinc/35/04/91/1069350491.db2.gz PNMDXXGSSFDTKC-UHFFFAOYSA-N 1 0 415.498 -0.102 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000466537736 1069350834 /nfs/dbraw/zinc/35/08/34/1069350834.db2.gz BESUYLYPBQKYFM-UHFFFAOYSA-N 1 0 405.455 -0.302 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(cnn2C)c1OC ZINC000466538063 1069354269 /nfs/dbraw/zinc/35/42/69/1069354269.db2.gz FOGGKUUHKGHCCC-UHFFFAOYSA-N 1 0 404.471 -0.161 20 0 HBADRO CCCC(=O)N1CSC[C@H]1C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000466539429 1069403176 /nfs/dbraw/zinc/40/31/76/1069403176.db2.gz BFZQQBSUBIMCAV-HNNXBMFYSA-N 1 0 400.545 -0.063 20 0 HBADRO CCCC(=O)N1CSC[C@@H]1C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000466539430 1069403100 /nfs/dbraw/zinc/40/31/00/1069403100.db2.gz BFZQQBSUBIMCAV-OAHLLOKOSA-N 1 0 400.545 -0.063 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000466545558 1069405976 /nfs/dbraw/zinc/40/59/76/1069405976.db2.gz RWRFELFJZMPZRJ-HOTGVXAUSA-N 1 0 408.499 -0.589 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000466545559 1069405859 /nfs/dbraw/zinc/40/58/59/1069405859.db2.gz RWRFELFJZMPZRJ-HZPDHXFCSA-N 1 0 408.499 -0.589 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000466545560 1069405952 /nfs/dbraw/zinc/40/59/52/1069405952.db2.gz RWRFELFJZMPZRJ-IYBDPMFKSA-N 1 0 408.499 -0.589 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466569023 1069418338 /nfs/dbraw/zinc/41/83/38/1069418338.db2.gz ZXVABTKVNMYLKX-PBHICJAKSA-N 1 0 415.560 -0.190 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466569024 1069418351 /nfs/dbraw/zinc/41/83/51/1069418351.db2.gz ZXVABTKVNMYLKX-RHSMWYFYSA-N 1 0 415.560 -0.190 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466569025 1069418171 /nfs/dbraw/zinc/41/81/71/1069418171.db2.gz ZXVABTKVNMYLKX-WMLDXEAASA-N 1 0 415.560 -0.190 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466569026 1069418281 /nfs/dbraw/zinc/41/82/81/1069418281.db2.gz ZXVABTKVNMYLKX-YOEHRIQHSA-N 1 0 415.560 -0.190 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3nnnn3C)cc2)CC1 ZINC000466662380 1069579894 /nfs/dbraw/zinc/57/98/94/1069579894.db2.gz VVFPCHPPIRQKQB-UHFFFAOYSA-N 1 0 400.487 -0.055 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1 ZINC000466697569 1069623732 /nfs/dbraw/zinc/62/37/32/1069623732.db2.gz XEQXZBYDMJFDSG-UHFFFAOYSA-N 1 0 416.486 -0.121 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466704559 1069625182 /nfs/dbraw/zinc/62/51/82/1069625182.db2.gz KMBNTCISDWPYJB-UHFFFAOYSA-N 1 0 416.486 -0.042 20 0 HBADRO CC[NH+](CC)CCOC1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000466727659 1069650627 /nfs/dbraw/zinc/65/06/27/1069650627.db2.gz JNLCNTLAXMFBIB-HNNXBMFYSA-N 1 0 418.560 -0.178 20 0 HBADRO CC[NH+](CC)CCOC1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000466727660 1069650493 /nfs/dbraw/zinc/65/04/93/1069650493.db2.gz JNLCNTLAXMFBIB-OAHLLOKOSA-N 1 0 418.560 -0.178 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000466728737 1069651180 /nfs/dbraw/zinc/65/11/80/1069651180.db2.gz KDAFJJDNGBYIGN-KRWDZBQOSA-N 1 0 406.531 -0.625 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000466728742 1069651385 /nfs/dbraw/zinc/65/13/85/1069651385.db2.gz KDAFJJDNGBYIGN-QGZVFWFLSA-N 1 0 406.531 -0.625 20 0 HBADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000466729534 1069657936 /nfs/dbraw/zinc/65/79/36/1069657936.db2.gz VLSMVSZLQAYLCM-UHFFFAOYSA-N 1 0 404.558 -0.298 20 0 HBADRO Cn1ccnc(N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1=O ZINC000466740914 1069678241 /nfs/dbraw/zinc/67/82/41/1069678241.db2.gz JFKJHNQGPBVWQE-UHFFFAOYSA-N 1 0 412.498 -0.569 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000466756642 1071812058 /nfs/dbraw/zinc/81/20/58/1071812058.db2.gz CQWPVQBYOOABTB-DOTOQJQBSA-N 1 0 414.576 -0.712 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000466756643 1071812149 /nfs/dbraw/zinc/81/21/49/1071812149.db2.gz CQWPVQBYOOABTB-NVXWUHKLSA-N 1 0 414.576 -0.712 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000466756644 1071812210 /nfs/dbraw/zinc/81/22/10/1071812210.db2.gz CQWPVQBYOOABTB-RDJZCZTQSA-N 1 0 414.576 -0.712 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000466756645 1071811919 /nfs/dbraw/zinc/81/19/19/1071811919.db2.gz CQWPVQBYOOABTB-WBVHZDCISA-N 1 0 414.576 -0.712 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466765826 1071841374 /nfs/dbraw/zinc/84/13/74/1071841374.db2.gz LDWOSDFHIYDPBJ-UHFFFAOYSA-N 1 0 407.519 -0.220 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466766919 1071843266 /nfs/dbraw/zinc/84/32/66/1071843266.db2.gz KHIHDEWJKYRKQF-GDBMZVCRSA-N 1 0 401.533 -0.627 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466766920 1071843566 /nfs/dbraw/zinc/84/35/66/1071843566.db2.gz KHIHDEWJKYRKQF-GOEBONIOSA-N 1 0 401.533 -0.627 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466766921 1071843306 /nfs/dbraw/zinc/84/33/06/1071843306.db2.gz KHIHDEWJKYRKQF-HOCLYGCPSA-N 1 0 401.533 -0.627 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466766922 1071843415 /nfs/dbraw/zinc/84/34/15/1071843415.db2.gz KHIHDEWJKYRKQF-ZBFHGGJFSA-N 1 0 401.533 -0.627 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)C2 ZINC000466771853 1071859407 /nfs/dbraw/zinc/85/94/07/1071859407.db2.gz PKBSDZJPOJKHOZ-UHFFFAOYSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCC(C)CC1 ZINC000466776629 1071867728 /nfs/dbraw/zinc/86/77/28/1071867728.db2.gz IZVAQVAUCBUPAO-HNNXBMFYSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCC(C)CC1 ZINC000466776630 1071867755 /nfs/dbraw/zinc/86/77/55/1071867755.db2.gz IZVAQVAUCBUPAO-OAHLLOKOSA-N 1 0 407.519 -0.221 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466777040 1071866849 /nfs/dbraw/zinc/86/68/49/1071866849.db2.gz KFEMMNFIAJMIIL-HNNXBMFYSA-N 1 0 407.519 -0.364 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466777041 1071867007 /nfs/dbraw/zinc/86/70/07/1071867007.db2.gz KFEMMNFIAJMIIL-OAHLLOKOSA-N 1 0 407.519 -0.364 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000466781368 1071869889 /nfs/dbraw/zinc/86/98/89/1071869889.db2.gz ZSVSSINGIYZUOY-INIZCTEOSA-N 1 0 419.530 -0.077 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000466781369 1071869737 /nfs/dbraw/zinc/86/97/37/1071869737.db2.gz ZSVSSINGIYZUOY-MRXNPFEDSA-N 1 0 419.530 -0.077 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC000466782353 1071870999 /nfs/dbraw/zinc/87/09/99/1071870999.db2.gz KOTBKIQNNHUJDN-GOOCMWNKSA-N 1 0 405.503 -0.327 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C[NH+]1CCCCC1 ZINC000466788913 1071872482 /nfs/dbraw/zinc/87/24/82/1071872482.db2.gz QAGFNMOKSFHLKZ-HNNXBMFYSA-N 1 0 407.519 -0.220 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C[NH+]1CCCCC1 ZINC000466788914 1071872511 /nfs/dbraw/zinc/87/25/11/1071872511.db2.gz QAGFNMOKSFHLKZ-OAHLLOKOSA-N 1 0 407.519 -0.220 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807982 1071916880 /nfs/dbraw/zinc/91/68/80/1071916880.db2.gz VZUJUILQFBFXKT-CABCVRRESA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807983 1071916804 /nfs/dbraw/zinc/91/68/04/1071916804.db2.gz VZUJUILQFBFXKT-GJZGRUSLSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807984 1071916751 /nfs/dbraw/zinc/91/67/51/1071916751.db2.gz VZUJUILQFBFXKT-HUUCEWRRSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807985 1071916900 /nfs/dbraw/zinc/91/69/00/1071916900.db2.gz VZUJUILQFBFXKT-LSDHHAIUSA-N 1 0 407.519 -0.221 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2 ZINC000466810260 1071918351 /nfs/dbraw/zinc/91/83/51/1071918351.db2.gz XMIJALDXMVZQHP-KRWDZBQOSA-N 1 0 411.532 -0.905 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C2 ZINC000466810261 1071918492 /nfs/dbraw/zinc/91/84/92/1071918492.db2.gz XMIJALDXMVZQHP-QGZVFWFLSA-N 1 0 411.532 -0.905 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000466828239 1071920139 /nfs/dbraw/zinc/92/01/39/1071920139.db2.gz WZPGWNCZJFQBRH-UHFFFAOYSA-N 1 0 406.487 -0.225 20 0 HBADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cn1C ZINC000466881168 1071965703 /nfs/dbraw/zinc/96/57/03/1071965703.db2.gz FCJPTTUQYDDBQU-UHFFFAOYSA-N 1 0 400.501 -0.110 20 0 HBADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000466884078 1071966217 /nfs/dbraw/zinc/96/62/17/1071966217.db2.gz UNHNKBXWFNPFJE-UHFFFAOYSA-N 1 0 402.517 -0.405 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 ZINC000466892133 1069268192 /nfs/dbraw/zinc/26/81/92/1069268192.db2.gz WXPJOWZAXKSTGX-UHFFFAOYSA-N 1 0 400.501 -0.014 20 0 HBADRO O=C(CN1CCC(OCC[NH+]2CCCC2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000466904633 1068621938 /nfs/dbraw/zinc/62/19/38/1068621938.db2.gz MKXOTAAIHLPRMC-HNNXBMFYSA-N 1 0 416.544 -0.424 20 0 HBADRO O=C(CN1CCC(OCC[NH+]2CCCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000466904634 1068621998 /nfs/dbraw/zinc/62/19/98/1068621998.db2.gz MKXOTAAIHLPRMC-OAHLLOKOSA-N 1 0 416.544 -0.424 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000466922023 1071968009 /nfs/dbraw/zinc/96/80/09/1071968009.db2.gz RURSMHYLAZMCAI-UHFFFAOYSA-N 1 0 400.501 -0.651 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000466932166 1071968700 /nfs/dbraw/zinc/96/87/00/1071968700.db2.gz GQBPAMCLVCBTNK-HNNXBMFYSA-N 1 0 405.503 -0.311 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000466932167 1071968509 /nfs/dbraw/zinc/96/85/09/1071968509.db2.gz GQBPAMCLVCBTNK-OAHLLOKOSA-N 1 0 405.503 -0.311 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)C2 ZINC000466939157 1071968569 /nfs/dbraw/zinc/96/85/69/1071968569.db2.gz ICZFHTVACNPTFM-UHFFFAOYSA-N 1 0 407.519 -0.077 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000466939633 1071968637 /nfs/dbraw/zinc/96/86/37/1071968637.db2.gz KRJOQPFRSUQCGM-HNNXBMFYSA-N 1 0 407.519 -0.065 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000466939634 1071969031 /nfs/dbraw/zinc/96/90/31/1071969031.db2.gz KRJOQPFRSUQCGM-OAHLLOKOSA-N 1 0 407.519 -0.065 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000466947593 1071969176 /nfs/dbraw/zinc/96/91/76/1071969176.db2.gz BBFFZBCAZMMDRL-UHFFFAOYSA-N 1 0 407.519 -0.077 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000466952737 1071969360 /nfs/dbraw/zinc/96/93/60/1071969360.db2.gz GQZPUSOSGPFELB-UHFFFAOYSA-N 1 0 407.519 -0.033 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000466956547 1070193215 /nfs/dbraw/zinc/19/32/15/1070193215.db2.gz ZQHGBLSYLZJLBC-INIZCTEOSA-N 1 0 415.498 -0.039 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000466956548 1070193183 /nfs/dbraw/zinc/19/31/83/1070193183.db2.gz ZQHGBLSYLZJLBC-MRXNPFEDSA-N 1 0 415.498 -0.039 20 0 HBADRO CC1CC[NH+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466972122 1071104269 /nfs/dbraw/zinc/10/42/69/1071104269.db2.gz CJCBYBWSCWWQQD-UHFFFAOYSA-N 1 0 407.519 -0.220 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466973420 1071274125 /nfs/dbraw/zinc/27/41/25/1071274125.db2.gz FBVBZLLHKUJJBB-UHFFFAOYSA-N 1 0 407.519 -0.221 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC[N@H+](C)Cc1ccccc1)C2 ZINC000466974602 1071969828 /nfs/dbraw/zinc/96/98/28/1071969828.db2.gz LNANXRIXXRDIPA-UHFFFAOYSA-N 1 0 415.498 -0.210 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)C2 ZINC000466977535 1071409415 /nfs/dbraw/zinc/40/94/15/1071409415.db2.gz RVSSWBDAOUHWDH-UHFFFAOYSA-N 1 0 415.498 -0.080 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC[NH+](CC3CC3)CC1)C2 ZINC000466977950 1071399948 /nfs/dbraw/zinc/39/99/48/1071399948.db2.gz BQNCBSGYOHWBNO-UHFFFAOYSA-N 1 0 405.503 -0.467 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000466979788 1071970306 /nfs/dbraw/zinc/97/03/06/1071970306.db2.gz UKQSEXSUJDBVMS-UHFFFAOYSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C[C@H](C)O1 ZINC000466981820 1071970242 /nfs/dbraw/zinc/97/02/42/1071970242.db2.gz WUNWTJZKHRONAD-GASCZTMLSA-N 1 0 423.518 -0.843 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C[C@H](C)O1 ZINC000466981826 1069358205 /nfs/dbraw/zinc/35/82/05/1069358205.db2.gz WUNWTJZKHRONAD-GJZGRUSLSA-N 1 0 423.518 -0.843 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C[C@@H](C)O1 ZINC000466981828 1069360541 /nfs/dbraw/zinc/36/05/41/1069360541.db2.gz WUNWTJZKHRONAD-HUUCEWRRSA-N 1 0 423.518 -0.843 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000466982284 1071970442 /nfs/dbraw/zinc/97/04/42/1071970442.db2.gz DYAWXCHGVACLCV-CABCVRRESA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000466982285 1071970320 /nfs/dbraw/zinc/97/03/20/1071970320.db2.gz DYAWXCHGVACLCV-GJZGRUSLSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCCC[C@H]1C ZINC000466982286 1071970259 /nfs/dbraw/zinc/97/02/59/1071970259.db2.gz DYAWXCHGVACLCV-HUUCEWRRSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000466982287 1071970407 /nfs/dbraw/zinc/97/04/07/1071970407.db2.gz DYAWXCHGVACLCV-LSDHHAIUSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000466983627 1071970430 /nfs/dbraw/zinc/97/04/30/1071970430.db2.gz HWCKAVLCMVWDEL-CABCVRRESA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000466983628 1071970291 /nfs/dbraw/zinc/97/02/91/1071970291.db2.gz HWCKAVLCMVWDEL-GJZGRUSLSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000466983629 1071970375 /nfs/dbraw/zinc/97/03/75/1071970375.db2.gz HWCKAVLCMVWDEL-HUUCEWRRSA-N 1 0 407.519 -0.221 20 0 HBADRO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000466983630 1071970366 /nfs/dbraw/zinc/97/03/66/1071970366.db2.gz HWCKAVLCMVWDEL-LSDHHAIUSA-N 1 0 407.519 -0.221 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)C2 ZINC000466985120 1069687401 /nfs/dbraw/zinc/68/74/01/1069687401.db2.gz SUIHSZIHUIBNAU-UHFFFAOYSA-N 1 0 415.498 -0.080 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466985619 1071970852 /nfs/dbraw/zinc/97/08/52/1071970852.db2.gz XIOOTASRLBQFHK-HNNXBMFYSA-N 1 0 423.518 -0.985 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466985620 1069617196 /nfs/dbraw/zinc/61/71/96/1069617196.db2.gz XIOOTASRLBQFHK-OAHLLOKOSA-N 1 0 423.518 -0.985 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007513 1071972077 /nfs/dbraw/zinc/97/20/77/1071972077.db2.gz QLOUIIZEVMNNMH-GASCZTMLSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007514 1069246273 /nfs/dbraw/zinc/24/62/73/1069246273.db2.gz QLOUIIZEVMNNMH-GJZGRUSLSA-N 1 0 407.519 -0.079 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007515 1069246041 /nfs/dbraw/zinc/24/60/41/1069246041.db2.gz QLOUIIZEVMNNMH-HUUCEWRRSA-N 1 0 407.519 -0.079 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000467009327 1069246101 /nfs/dbraw/zinc/24/61/01/1069246101.db2.gz NLRRUTTYTZDECL-UHFFFAOYSA-N 1 0 423.518 -0.841 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467011616 1071971962 /nfs/dbraw/zinc/97/19/62/1071971962.db2.gz AGRAJAWTSCPKNA-HNNXBMFYSA-N 1 0 407.519 -0.077 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467011617 1071972044 /nfs/dbraw/zinc/97/20/44/1071972044.db2.gz AGRAJAWTSCPKNA-OAHLLOKOSA-N 1 0 407.519 -0.077 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000467014380 1071972736 /nfs/dbraw/zinc/97/27/36/1071972736.db2.gz RZTVVNGXQJLOPM-AWEZNQCLSA-N 1 0 405.503 -0.325 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000467014381 1071972583 /nfs/dbraw/zinc/97/25/83/1071972583.db2.gz RZTVVNGXQJLOPM-CQSZACIVSA-N 1 0 405.503 -0.325 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000467064805 1071977963 /nfs/dbraw/zinc/97/79/63/1071977963.db2.gz OHKSVJXPHDRYFD-HZMBPMFUSA-N 1 0 400.439 -0.830 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000467064806 1071977937 /nfs/dbraw/zinc/97/79/37/1071977937.db2.gz OHKSVJXPHDRYFD-IINYFYTJSA-N 1 0 400.439 -0.830 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000467064807 1071977875 /nfs/dbraw/zinc/97/78/75/1071977875.db2.gz OHKSVJXPHDRYFD-QMTHXVAHSA-N 1 0 400.439 -0.830 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000467064808 1071977986 /nfs/dbraw/zinc/97/79/86/1071977986.db2.gz OHKSVJXPHDRYFD-YGRLFVJLSA-N 1 0 400.439 -0.830 20 0 HBADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000467088881 1071981818 /nfs/dbraw/zinc/98/18/18/1071981818.db2.gz BXSURSWLOMQXOQ-UHFFFAOYSA-N 1 0 400.487 -0.169 20 0 HBADRO C[C@@H](CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCCCC1 ZINC000467089604 1071981783 /nfs/dbraw/zinc/98/17/83/1071981783.db2.gz HLCZMKCSPJNECZ-HNNXBMFYSA-N 1 0 407.519 -0.077 20 0 HBADRO C[C@H](CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCCCC1 ZINC000467089605 1071981709 /nfs/dbraw/zinc/98/17/09/1071981709.db2.gz HLCZMKCSPJNECZ-OAHLLOKOSA-N 1 0 407.519 -0.077 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1(C[NH+](C)C)CCCC1)C2 ZINC000467090200 1071981833 /nfs/dbraw/zinc/98/18/33/1071981833.db2.gz JNHGEHIELKDMOZ-UHFFFAOYSA-N 1 0 407.519 -0.220 20 0 HBADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467096491 1071982404 /nfs/dbraw/zinc/98/24/04/1071982404.db2.gz QRWFHLWBZREAAC-HNNXBMFYSA-N 1 0 407.519 -0.077 20 0 HBADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467096492 1071982457 /nfs/dbraw/zinc/98/24/57/1071982457.db2.gz QRWFHLWBZREAAC-OAHLLOKOSA-N 1 0 407.519 -0.077 20 0 HBADRO CC[NH+](CC)CCOCCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467096671 1071982370 /nfs/dbraw/zinc/98/23/70/1071982370.db2.gz ZTUFOBWYXHKMPV-UHFFFAOYSA-N 1 0 411.507 -0.983 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000467099809 1071982257 /nfs/dbraw/zinc/98/22/57/1071982257.db2.gz CRNBNLJVBCSXAL-UHFFFAOYSA-N 1 0 407.519 -0.220 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467110606 1068698913 /nfs/dbraw/zinc/69/89/13/1068698913.db2.gz OPAQMPWEIHSOEO-HNNXBMFYSA-N 1 0 407.519 -0.221 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467110607 1068699230 /nfs/dbraw/zinc/69/92/30/1068699230.db2.gz OPAQMPWEIHSOEO-OAHLLOKOSA-N 1 0 407.519 -0.221 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000467112456 1068699838 /nfs/dbraw/zinc/69/98/38/1068699838.db2.gz WYUGDTWIKGZEEK-UHFFFAOYSA-N 1 0 407.519 -0.077 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1C ZINC000467158774 1071988449 /nfs/dbraw/zinc/98/84/49/1071988449.db2.gz NMLZGKJWLQGCMH-UHFFFAOYSA-N 1 0 400.483 0.297 20 0 HBADRO Cn1ccnc(N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1=O ZINC000467180052 1071989788 /nfs/dbraw/zinc/98/97/88/1071989788.db2.gz IQQINJARZSMIRZ-UHFFFAOYSA-N 1 0 420.495 -0.422 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000467182129 1071989724 /nfs/dbraw/zinc/98/97/24/1071989724.db2.gz QBJJOSBUBFLSMO-UHFFFAOYSA-N 1 0 400.483 0.330 20 0 HBADRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000467195846 1071990357 /nfs/dbraw/zinc/99/03/57/1071990357.db2.gz NBHBOKFFQDWICJ-LLVKDONJSA-N 1 0 404.423 -0.249 20 0 HBADRO COC(=O)COc1ccc([C@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000467195847 1071990280 /nfs/dbraw/zinc/99/02/80/1071990280.db2.gz NBHBOKFFQDWICJ-NSHDSACASA-N 1 0 404.423 -0.249 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467199945 1071990306 /nfs/dbraw/zinc/99/03/06/1071990306.db2.gz BZOGOFCSYMWTOF-AWEZNQCLSA-N 1 0 407.515 -0.186 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467199946 1071990258 /nfs/dbraw/zinc/99/02/58/1071990258.db2.gz BZOGOFCSYMWTOF-CQSZACIVSA-N 1 0 407.515 -0.186 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)c(=O)[nH]c1=O ZINC000467204035 1071990224 /nfs/dbraw/zinc/99/02/24/1071990224.db2.gz CKYRIKKYFUQZLD-UHFFFAOYSA-N 1 0 423.514 -0.063 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000467222978 1071990866 /nfs/dbraw/zinc/99/08/66/1071990866.db2.gz CCLNBKGFYZMMDT-UHFFFAOYSA-N 1 0 422.486 -0.452 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000467226339 1071991733 /nfs/dbraw/zinc/99/17/33/1071991733.db2.gz BTAGHRWWABCQBP-AWEZNQCLSA-N 1 0 420.470 -0.700 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000467226340 1071991581 /nfs/dbraw/zinc/99/15/81/1071991581.db2.gz BTAGHRWWABCQBP-CQSZACIVSA-N 1 0 420.470 -0.700 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000467227541 1071991629 /nfs/dbraw/zinc/99/16/29/1071991629.db2.gz FQRQZYJJKFDZDU-AWEZNQCLSA-N 1 0 422.486 -0.406 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000467227542 1071991715 /nfs/dbraw/zinc/99/17/15/1071991715.db2.gz FQRQZYJJKFDZDU-CQSZACIVSA-N 1 0 422.486 -0.406 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000467233447 1071992339 /nfs/dbraw/zinc/99/23/39/1071992339.db2.gz SOXWXDDFKCIAKT-AWEZNQCLSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000467233448 1071992106 /nfs/dbraw/zinc/99/21/06/1071992106.db2.gz SOXWXDDFKCIAKT-CQSZACIVSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000467244220 1071992895 /nfs/dbraw/zinc/99/28/95/1071992895.db2.gz CXWGLYYSRUCOBB-GFCCVEGCSA-N 1 0 408.459 -0.761 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000467244221 1071992980 /nfs/dbraw/zinc/99/29/80/1071992980.db2.gz CXWGLYYSRUCOBB-LBPRGKRZSA-N 1 0 408.459 -0.761 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000467246267 1071992953 /nfs/dbraw/zinc/99/29/53/1071992953.db2.gz LUMMCSBZHZXOOP-UHFFFAOYSA-N 1 0 420.470 -0.698 20 0 HBADRO CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000467263861 1071994213 /nfs/dbraw/zinc/99/42/13/1071994213.db2.gz DNUPOAHBJXDCJT-UHFFFAOYSA-N 1 0 401.467 -0.250 20 0 HBADRO C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000467325608 1072004207 /nfs/dbraw/zinc/00/42/07/1072004207.db2.gz FFZJJDWJQFVART-GFCCVEGCSA-N 1 0 424.479 -0.260 20 0 HBADRO C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000467325609 1072004131 /nfs/dbraw/zinc/00/41/31/1072004131.db2.gz FFZJJDWJQFVART-LBPRGKRZSA-N 1 0 424.479 -0.260 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)CC1 ZINC000467375135 1072005757 /nfs/dbraw/zinc/00/57/57/1072005757.db2.gz DECWMJMAAYHXHO-UHFFFAOYSA-N 1 0 404.515 -0.121 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000467473301 1071225165 /nfs/dbraw/zinc/22/51/65/1071225165.db2.gz BXQITEDCKUQQGP-ZDUSSCGKSA-N 1 0 412.512 -0.115 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(O)CC[NH+](C)CC3)CC2)cc1 ZINC000467486671 1071318616 /nfs/dbraw/zinc/31/86/16/1071318616.db2.gz INRCZZNOPWXXRM-UHFFFAOYSA-N 1 0 424.567 -0.126 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000467487805 1072009168 /nfs/dbraw/zinc/00/91/68/1072009168.db2.gz WDRJVHFGGDXIIE-UHFFFAOYSA-N 1 0 415.512 -0.055 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000467489890 1072009245 /nfs/dbraw/zinc/00/92/45/1072009245.db2.gz LQZYMTRCSYLLFK-UHFFFAOYSA-N 1 0 402.542 -0.061 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000467504321 1072010878 /nfs/dbraw/zinc/01/08/78/1072010878.db2.gz SANKUWDJDZGXBF-UHFFFAOYSA-N 1 0 418.541 -1.000 20 0 HBADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@](C)(O)CN2CCOCC2)no1 ZINC000467506445 1069614911 /nfs/dbraw/zinc/61/49/11/1069614911.db2.gz ZLJLXQHMQKUKFK-GUYCJALGSA-N 1 0 400.501 0.243 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000467509510 1072011865 /nfs/dbraw/zinc/01/18/65/1072011865.db2.gz GFNJPKVJDBMHSO-UHFFFAOYSA-N 1 0 418.585 -0.136 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000467510963 1072011937 /nfs/dbraw/zinc/01/19/37/1072011937.db2.gz MYGHCLQLPBQGCY-UHFFFAOYSA-N 1 0 403.526 -0.045 20 0 HBADRO C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000467511882 1071481153 /nfs/dbraw/zinc/48/11/53/1071481153.db2.gz QXOHUHAGKLCZCK-OAHLLOKOSA-N 1 0 404.558 -0.480 20 0 HBADRO C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000467512266 1072011336 /nfs/dbraw/zinc/01/13/36/1072011336.db2.gz SCRYKSUADWQIRU-INIZCTEOSA-N 1 0 418.585 -0.232 20 0 HBADRO C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000467512267 1072011655 /nfs/dbraw/zinc/01/16/55/1072011655.db2.gz SCRYKSUADWQIRU-MRXNPFEDSA-N 1 0 418.585 -0.232 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000467513541 1071497206 /nfs/dbraw/zinc/49/72/06/1071497206.db2.gz YNVRGNOJENOWJC-HNNXBMFYSA-N 1 0 405.542 -0.005 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000467513542 1071497268 /nfs/dbraw/zinc/49/72/68/1071497268.db2.gz YNVRGNOJENOWJC-OAHLLOKOSA-N 1 0 405.542 -0.005 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000467517793 1072011575 /nfs/dbraw/zinc/01/15/75/1072011575.db2.gz HUZSWFZPEWVSHB-UHFFFAOYSA-N 1 0 405.547 -0.549 20 0 HBADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCOCC1 ZINC000467547565 1072013096 /nfs/dbraw/zinc/01/30/96/1072013096.db2.gz UBOFXGAVRMENSJ-AWEZNQCLSA-N 1 0 424.523 -0.086 20 0 HBADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCOCC1 ZINC000467547566 1072013163 /nfs/dbraw/zinc/01/31/63/1072013163.db2.gz UBOFXGAVRMENSJ-CQSZACIVSA-N 1 0 424.523 -0.086 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000467551501 1072013747 /nfs/dbraw/zinc/01/37/47/1072013747.db2.gz BYQPAZKUJICSCR-UHFFFAOYSA-N 1 0 419.592 -0.695 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000467557119 1069704521 /nfs/dbraw/zinc/70/45/21/1069704521.db2.gz ZDYCDKAKOHZYMJ-HNNXBMFYSA-N 1 0 415.560 -0.057 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000467557250 1069705044 /nfs/dbraw/zinc/70/50/44/1069705044.db2.gz ZDYCDKAKOHZYMJ-OAHLLOKOSA-N 1 0 415.560 -0.057 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CCO1 ZINC000467567579 1072014326 /nfs/dbraw/zinc/01/43/26/1072014326.db2.gz RLMGYWZJBLTFAV-INIZCTEOSA-N 1 0 419.482 -0.203 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CCO1 ZINC000467567581 1072014059 /nfs/dbraw/zinc/01/40/59/1072014059.db2.gz RLMGYWZJBLTFAV-MRXNPFEDSA-N 1 0 419.482 -0.203 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000467570426 1072014173 /nfs/dbraw/zinc/01/41/73/1072014173.db2.gz FRWKGDNKCFIYGM-CJNGLKHVSA-N 1 0 419.482 -0.075 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000467570430 1072014657 /nfs/dbraw/zinc/01/46/57/1072014657.db2.gz FRWKGDNKCFIYGM-CZUORRHYSA-N 1 0 419.482 -0.075 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1NC(=O)CC[NH+](C)C ZINC000467571155 1072014681 /nfs/dbraw/zinc/01/46/81/1072014681.db2.gz XDBHQNWRZDWKEF-UHFFFAOYSA-N 1 0 419.482 -0.201 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1NC(=O)CC[NH+](C)C ZINC000467580267 1071329654 /nfs/dbraw/zinc/32/96/54/1071329654.db2.gz VNJSQOBTQCPUTP-UHFFFAOYSA-N 1 0 405.499 -0.040 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000467585396 1072015150 /nfs/dbraw/zinc/01/51/50/1072015150.db2.gz BPBSWGXVLCYTLH-UHFFFAOYSA-N 1 0 418.498 -0.628 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1NC(=O)CC[NH+](C)C ZINC000467598443 1072015980 /nfs/dbraw/zinc/01/59/80/1072015980.db2.gz FDLFXLOUFJLXLK-UHFFFAOYSA-N 1 0 419.482 -0.513 20 0 HBADRO COc1cc2c(cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)NC(=O)CC2 ZINC000467602107 1072016603 /nfs/dbraw/zinc/01/66/03/1072016603.db2.gz PMVITQQZMQUCFI-HNNXBMFYSA-N 1 0 417.466 -0.026 20 0 HBADRO COc1cc2c(cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)NC(=O)CC2 ZINC000467602108 1072016741 /nfs/dbraw/zinc/01/67/41/1072016741.db2.gz PMVITQQZMQUCFI-OAHLLOKOSA-N 1 0 417.466 -0.026 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000467611459 1072017816 /nfs/dbraw/zinc/01/78/16/1072017816.db2.gz CEYSMYJOHKUJND-HNNXBMFYSA-N 1 0 405.455 -0.464 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000467611460 1072017597 /nfs/dbraw/zinc/01/75/97/1072017597.db2.gz CEYSMYJOHKUJND-OAHLLOKOSA-N 1 0 405.455 -0.464 20 0 HBADRO C[C@H](C(=O)N(C)CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cccn1 ZINC000467626996 1072018893 /nfs/dbraw/zinc/01/88/93/1072018893.db2.gz ALNGVFXADKUVMD-CVEARBPZSA-N 1 0 413.544 -0.130 20 0 HBADRO C[C@@H](C(=O)N(C)CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cccn1 ZINC000467626997 1072018679 /nfs/dbraw/zinc/01/86/79/1072018679.db2.gz ALNGVFXADKUVMD-HOTGVXAUSA-N 1 0 413.544 -0.130 20 0 HBADRO C[C@H](C(=O)N(C)CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cccn1 ZINC000467626998 1072018943 /nfs/dbraw/zinc/01/89/43/1072018943.db2.gz ALNGVFXADKUVMD-HZPDHXFCSA-N 1 0 413.544 -0.130 20 0 HBADRO C[C@@H](C(=O)N(C)CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cccn1 ZINC000467626999 1072018835 /nfs/dbraw/zinc/01/88/35/1072018835.db2.gz ALNGVFXADKUVMD-JKSUJKDBSA-N 1 0 413.544 -0.130 20 0 HBADRO CN(CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ncnc2nc[nH]c21 ZINC000467641288 1072020676 /nfs/dbraw/zinc/02/06/76/1072020676.db2.gz QNGIBWRWSJJEQP-CYBMUJFWSA-N 1 0 409.516 -0.244 20 0 HBADRO CN(CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ncnc2nc[nH]c21 ZINC000467641296 1072097165 /nfs/dbraw/zinc/09/71/65/1072097165.db2.gz QNGIBWRWSJJEQP-ZDUSSCGKSA-N 1 0 409.516 -0.244 20 0 HBADRO C[NH+](C)CCCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467643284 1072179008 /nfs/dbraw/zinc/17/90/08/1072179008.db2.gz HRYXESBTFPGJKG-GFCCVEGCSA-N 1 0 409.555 -0.024 20 0 HBADRO C[NH+](C)CCCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467643285 1072178882 /nfs/dbraw/zinc/17/88/82/1072178882.db2.gz HRYXESBTFPGJKG-LBPRGKRZSA-N 1 0 409.555 -0.024 20 0 HBADRO C[NH+](C)CCCN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000467649642 1069164001 /nfs/dbraw/zinc/16/40/01/1069164001.db2.gz HKUQVZBSGPATSP-LLVKDONJSA-N 1 0 409.555 -0.024 20 0 HBADRO C[NH+](C)CCCN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 ZINC000467649643 1069163843 /nfs/dbraw/zinc/16/38/43/1069163843.db2.gz HKUQVZBSGPATSP-NSHDSACASA-N 1 0 409.555 -0.024 20 0 HBADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000467677866 1072022244 /nfs/dbraw/zinc/02/22/44/1072022244.db2.gz UGGMANJOTMDNFS-INIZCTEOSA-N 1 0 418.498 -0.419 20 0 HBADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000467677867 1072022145 /nfs/dbraw/zinc/02/21/45/1072022145.db2.gz UGGMANJOTMDNFS-MRXNPFEDSA-N 1 0 418.498 -0.419 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000467694420 1072022752 /nfs/dbraw/zinc/02/27/52/1072022752.db2.gz ACFMIJBJTVLXAU-CYBMUJFWSA-N 1 0 411.532 -0.262 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000467694421 1071812183 /nfs/dbraw/zinc/81/21/83/1071812183.db2.gz ACFMIJBJTVLXAU-ZDUSSCGKSA-N 1 0 411.532 -0.262 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000467700517 1072023080 /nfs/dbraw/zinc/02/30/80/1072023080.db2.gz LPIUFTGLMPSIPE-UHFFFAOYSA-N 1 0 407.496 -0.012 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000467701064 1072023236 /nfs/dbraw/zinc/02/32/36/1072023236.db2.gz QLFVJFHTLOBGAC-UHFFFAOYSA-N 1 0 406.483 -0.700 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000467701927 1072023135 /nfs/dbraw/zinc/02/31/35/1072023135.db2.gz AFPHGAHVEVXBHT-INIZCTEOSA-N 1 0 408.503 -0.849 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000467701928 1072023283 /nfs/dbraw/zinc/02/32/83/1072023283.db2.gz AFPHGAHVEVXBHT-MRXNPFEDSA-N 1 0 408.503 -0.849 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000467702102 1072023210 /nfs/dbraw/zinc/02/32/10/1072023210.db2.gz CNHQBQKWOSOBET-UHFFFAOYSA-N 1 0 404.514 -0.742 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000467702322 1072023766 /nfs/dbraw/zinc/02/37/66/1072023766.db2.gz HCAMYSPBVWVUMR-UHFFFAOYSA-N 1 0 402.473 -0.902 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(N2CCOCC2)ccn1 ZINC000467703049 1072024044 /nfs/dbraw/zinc/02/40/44/1072024044.db2.gz QTWXFIXHHULSRS-UHFFFAOYSA-N 1 0 405.499 -0.219 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000467704965 1072023959 /nfs/dbraw/zinc/02/39/59/1072023959.db2.gz NOXSLVIBTWATBL-UHFFFAOYSA-N 1 0 404.514 -0.742 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C)ccc1S(N)(=O)=O ZINC000467705545 1072024392 /nfs/dbraw/zinc/02/43/92/1072024392.db2.gz QPGMHEPTLQXKAZ-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000467706541 1072024314 /nfs/dbraw/zinc/02/43/14/1072024314.db2.gz RWTQEBOLSTULJC-UHFFFAOYSA-N 1 0 423.489 -0.126 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000467707523 1072024468 /nfs/dbraw/zinc/02/44/68/1072024468.db2.gz ZBNTXWNXNYXQPN-UHFFFAOYSA-N 1 0 422.482 -0.109 20 0 HBADRO CNc1nc(NCc2nnc3ccccn32)nc(NCc2nnc3ccccn32)[nH+]1 ZINC000467721108 1072024836 /nfs/dbraw/zinc/02/48/36/1072024836.db2.gz SGDIFPARDWIJNI-UHFFFAOYSA-N 1 0 402.426 -0.511 20 0 HBADRO CNc1nc(NCc2cccc(C(N)=O)c2)nc(NCc2cccc(C(N)=O)c2)[nH+]1 ZINC000467734962 1072025396 /nfs/dbraw/zinc/02/53/96/1072025396.db2.gz KXQKDTWWJFBJKF-UHFFFAOYSA-N 1 0 406.450 -0.399 20 0 HBADRO CNc1nc(NCc2ccc(C(N)=O)cc2)nc(NCc2ccc(C(N)=O)cc2)[nH+]1 ZINC000467747304 1072025726 /nfs/dbraw/zinc/02/57/26/1072025726.db2.gz SFBHALQEJAHQDA-UHFFFAOYSA-N 1 0 406.450 -0.399 20 0 HBADRO CNc1nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[nH+]1 ZINC000467781397 1072026952 /nfs/dbraw/zinc/02/69/52/1072026952.db2.gz DAGIAHKOYMZSAV-BBZRCZKMSA-N 1 0 414.514 -0.979 20 0 HBADRO CNc1nc(NCC2CCN(C(C)=O)CC2)nc(NCC2CCN(C(C)=O)CC2)[nH+]1 ZINC000467781774 1072027140 /nfs/dbraw/zinc/02/71/40/1072027140.db2.gz GJYMJMFCKLTMSA-UHFFFAOYSA-N 1 0 418.546 -0.480 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2COc3ccc(F)cc32)cn1 ZINC000467855868 1072030553 /nfs/dbraw/zinc/03/05/53/1072030553.db2.gz NYVWLLCZLPUWJK-HNNXBMFYSA-N 1 0 418.429 -0.112 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2COc3ccc(F)cc32)cn1 ZINC000467855869 1072030762 /nfs/dbraw/zinc/03/07/62/1072030762.db2.gz NYVWLLCZLPUWJK-OAHLLOKOSA-N 1 0 418.429 -0.112 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC1=O ZINC000467862672 1069672309 /nfs/dbraw/zinc/67/23/09/1069672309.db2.gz IZBSJZQZUQVWDI-KBPBESRZSA-N 1 0 407.544 0.102 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC1=O ZINC000467862673 1069672553 /nfs/dbraw/zinc/67/25/53/1069672553.db2.gz IZBSJZQZUQVWDI-KGLIPLIRSA-N 1 0 407.544 0.102 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC1=O ZINC000467862674 1069672524 /nfs/dbraw/zinc/67/25/24/1069672524.db2.gz IZBSJZQZUQVWDI-UONOGXRCSA-N 1 0 407.544 0.102 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC1=O ZINC000467862675 1069672390 /nfs/dbraw/zinc/67/23/90/1069672390.db2.gz IZBSJZQZUQVWDI-ZIAGYGMSSA-N 1 0 407.544 0.102 20 0 HBADRO COCC[N@H+](C)CCNC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000467896025 1072033836 /nfs/dbraw/zinc/03/38/36/1072033836.db2.gz UYNOELNOILXVQX-UHFFFAOYSA-N 1 0 400.501 -0.055 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)c1=O ZINC000467915708 1072035488 /nfs/dbraw/zinc/03/54/88/1072035488.db2.gz ISXGEVVKOOWPNP-UHFFFAOYSA-N 1 0 408.422 -0.352 20 0 HBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000467971231 1072038822 /nfs/dbraw/zinc/03/88/22/1072038822.db2.gz XXYQPHGWVSWMTL-UHFFFAOYSA-N 1 0 403.483 -0.544 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 ZINC000467992682 1072040063 /nfs/dbraw/zinc/04/00/63/1072040063.db2.gz FFJAXLUEDZIMAS-HNNXBMFYSA-N 1 0 411.459 -0.050 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 ZINC000467992683 1072040309 /nfs/dbraw/zinc/04/03/09/1072040309.db2.gz FFJAXLUEDZIMAS-OAHLLOKOSA-N 1 0 411.459 -0.050 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000468003750 1072041323 /nfs/dbraw/zinc/04/13/23/1072041323.db2.gz IVACXYIJQSKWRC-UHFFFAOYSA-N 1 0 420.510 -0.159 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000468023628 1072042452 /nfs/dbraw/zinc/04/24/52/1072042452.db2.gz BGSGTJPSFLJXJQ-UHFFFAOYSA-N 1 0 417.514 -0.256 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468048853 1072043600 /nfs/dbraw/zinc/04/36/00/1072043600.db2.gz HPFZZQPYMDUQCB-HNNXBMFYSA-N 1 0 424.523 -0.132 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468048854 1072043702 /nfs/dbraw/zinc/04/37/02/1072043702.db2.gz HPFZZQPYMDUQCB-OAHLLOKOSA-N 1 0 424.523 -0.132 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC(C(=O)NC)C1 ZINC000468055523 1072044116 /nfs/dbraw/zinc/04/41/16/1072044116.db2.gz UBGDKNWOYAZTPR-UHFFFAOYSA-N 1 0 403.483 -0.020 20 0 HBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)C1 ZINC000468056054 1072044657 /nfs/dbraw/zinc/04/46/57/1072044657.db2.gz XWVOBAMAUJIBIR-KRWDZBQOSA-N 1 0 415.494 -0.004 20 0 HBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC000468056055 1072044569 /nfs/dbraw/zinc/04/45/69/1072044569.db2.gz XWVOBAMAUJIBIR-QGZVFWFLSA-N 1 0 415.494 -0.004 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000468058383 1072044698 /nfs/dbraw/zinc/04/46/98/1072044698.db2.gz GNKXSYRTZDBDMV-BZUAXINKSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000468058384 1072044751 /nfs/dbraw/zinc/04/47/51/1072044751.db2.gz GNKXSYRTZDBDMV-OAGGEKHMSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000468058385 1072044589 /nfs/dbraw/zinc/04/45/89/1072044589.db2.gz GNKXSYRTZDBDMV-OWCLPIDISA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000468058386 1072044538 /nfs/dbraw/zinc/04/45/38/1072044538.db2.gz GNKXSYRTZDBDMV-PMPSAXMXSA-N 1 0 401.529 -0.409 20 0 HBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000468061252 1072045125 /nfs/dbraw/zinc/04/51/25/1072045125.db2.gz KMYZRRXXBMZQMG-UHFFFAOYSA-N 1 0 401.467 -0.473 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000468067634 1072045475 /nfs/dbraw/zinc/04/54/75/1072045475.db2.gz FYDAJXBPQPMESP-CYBMUJFWSA-N 1 0 418.454 -0.376 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000468067635 1072045596 /nfs/dbraw/zinc/04/55/96/1072045596.db2.gz FYDAJXBPQPMESP-ZDUSSCGKSA-N 1 0 418.454 -0.376 20 0 HBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000468069080 1072045933 /nfs/dbraw/zinc/04/59/33/1072045933.db2.gz BRFBWYUKSGTOMC-HNNXBMFYSA-N 1 0 411.528 -0.387 20 0 HBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000468069081 1072046120 /nfs/dbraw/zinc/04/61/20/1072046120.db2.gz BRFBWYUKSGTOMC-OAHLLOKOSA-N 1 0 411.528 -0.387 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000468073987 1072047186 /nfs/dbraw/zinc/04/71/86/1072047186.db2.gz FQAWZNMHOBTKTB-KRWDZBQOSA-N 1 0 402.499 -0.098 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000468073988 1072047076 /nfs/dbraw/zinc/04/70/76/1072047076.db2.gz FQAWZNMHOBTKTB-QGZVFWFLSA-N 1 0 402.499 -0.098 20 0 HBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000468076304 1072047135 /nfs/dbraw/zinc/04/71/35/1072047135.db2.gz YVCBHBWDQZLIIB-UHFFFAOYSA-N 1 0 401.467 -0.393 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC(F)(F)CO)cc2)CC1 ZINC000468077749 1072047726 /nfs/dbraw/zinc/04/77/26/1072047726.db2.gz GIJJPDYIFBUDSV-UHFFFAOYSA-N 1 0 400.426 -0.005 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC(C(=O)NC)C2)c1 ZINC000468083726 1072048116 /nfs/dbraw/zinc/04/81/16/1072048116.db2.gz ANRWIWOHMKZXKT-UHFFFAOYSA-N 1 0 403.483 -0.099 20 0 HBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468103828 1072049673 /nfs/dbraw/zinc/04/96/73/1072049673.db2.gz MKYISFJVCRDSQY-AWEZNQCLSA-N 1 0 407.496 -0.319 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468103829 1072049732 /nfs/dbraw/zinc/04/97/32/1072049732.db2.gz MKYISFJVCRDSQY-CQSZACIVSA-N 1 0 407.496 -0.319 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000468121707 1072049983 /nfs/dbraw/zinc/04/99/83/1072049983.db2.gz RLVNVHYAPHYNAR-CVEARBPZSA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000468121708 1072050198 /nfs/dbraw/zinc/05/01/98/1072050198.db2.gz RLVNVHYAPHYNAR-HOTGVXAUSA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000468121709 1072050058 /nfs/dbraw/zinc/05/00/58/1072050058.db2.gz RLVNVHYAPHYNAR-HZPDHXFCSA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000468121710 1072050023 /nfs/dbraw/zinc/05/00/23/1072050023.db2.gz RLVNVHYAPHYNAR-JKSUJKDBSA-N 1 0 412.498 -0.245 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2CCN(c3cccnn3)CC2)CC1 ZINC000468139063 1072051194 /nfs/dbraw/zinc/05/11/94/1072051194.db2.gz VSRZURBYHZVRGN-UHFFFAOYSA-N 1 0 403.531 -0.390 20 0 HBADRO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cn(CCO)c(=O)[nH]c1=O ZINC000468179842 1072053366 /nfs/dbraw/zinc/05/33/66/1072053366.db2.gz OAZOZABYLWWDCQ-INIZCTEOSA-N 1 0 402.451 -0.172 20 0 HBADRO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cn(CCO)c(=O)[nH]c1=O ZINC000468179843 1072053226 /nfs/dbraw/zinc/05/32/26/1072053226.db2.gz OAZOZABYLWWDCQ-MRXNPFEDSA-N 1 0 402.451 -0.172 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000468186200 1072053261 /nfs/dbraw/zinc/05/32/61/1072053261.db2.gz LIUYHYNYROIEFQ-IBGZPJMESA-N 1 0 424.567 -0.163 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000468186201 1072053431 /nfs/dbraw/zinc/05/34/31/1072053431.db2.gz LIUYHYNYROIEFQ-LJQANCHMSA-N 1 0 424.567 -0.163 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c[nH]1 ZINC000468208509 1072053817 /nfs/dbraw/zinc/05/38/17/1072053817.db2.gz ILCCCFCAOBYMCW-AWEZNQCLSA-N 1 0 409.468 -0.062 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c[nH]1 ZINC000468208511 1072053910 /nfs/dbraw/zinc/05/39/10/1072053910.db2.gz ILCCCFCAOBYMCW-CQSZACIVSA-N 1 0 409.468 -0.062 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468248227 1072055591 /nfs/dbraw/zinc/05/55/91/1072055591.db2.gz YNIJQNVPNOGQSV-AWEZNQCLSA-N 1 0 400.487 -0.578 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468248228 1072055453 /nfs/dbraw/zinc/05/54/53/1072055453.db2.gz YNIJQNVPNOGQSV-CQSZACIVSA-N 1 0 400.487 -0.578 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CC1=O ZINC000468257197 1072056114 /nfs/dbraw/zinc/05/61/14/1072056114.db2.gz NMJWTMJTYLVCLX-HKUYNNGSSA-N 1 0 401.511 -0.233 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1=O ZINC000468257198 1072055953 /nfs/dbraw/zinc/05/59/53/1072055953.db2.gz NMJWTMJTYLVCLX-IEBWSBKVSA-N 1 0 401.511 -0.233 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CC1=O ZINC000468257199 1072055984 /nfs/dbraw/zinc/05/59/84/1072055984.db2.gz NMJWTMJTYLVCLX-MJGOQNOKSA-N 1 0 401.511 -0.233 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1=O ZINC000468257200 1072056047 /nfs/dbraw/zinc/05/60/47/1072056047.db2.gz NMJWTMJTYLVCLX-PKOBYXMFSA-N 1 0 401.511 -0.233 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cn2)CC1 ZINC000468258381 1072056090 /nfs/dbraw/zinc/05/60/90/1072056090.db2.gz DDHOELDYFFLTDX-UHFFFAOYSA-N 1 0 421.483 -0.823 20 0 HBADRO CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000468283271 1072058024 /nfs/dbraw/zinc/05/80/24/1072058024.db2.gz XDPHXZBAKDINFL-UHFFFAOYSA-N 1 0 400.545 -0.409 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000468284732 1072058685 /nfs/dbraw/zinc/05/86/85/1072058685.db2.gz FVBWWDCBCREXGJ-UHFFFAOYSA-N 1 0 417.554 -0.046 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000468291212 1068765554 /nfs/dbraw/zinc/76/55/54/1068765554.db2.gz KHYFANALSLEFFX-UHFFFAOYSA-N 1 0 418.542 -0.500 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000468292677 1072058666 /nfs/dbraw/zinc/05/86/66/1072058666.db2.gz UTIABSALKWZJNM-UHFFFAOYSA-N 1 0 413.544 -0.207 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000468299487 1068771020 /nfs/dbraw/zinc/77/10/20/1068771020.db2.gz ZZAXPQJOGPGCMT-UHFFFAOYSA-N 1 0 417.576 -0.940 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468313617 1072060482 /nfs/dbraw/zinc/06/04/82/1072060482.db2.gz XCUKRCHWDKRRIE-HNNXBMFYSA-N 1 0 423.539 -0.607 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468313618 1072060583 /nfs/dbraw/zinc/06/05/83/1072060583.db2.gz XCUKRCHWDKRRIE-OAHLLOKOSA-N 1 0 423.539 -0.607 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)Cc1ccccc1 ZINC000468313726 1072060181 /nfs/dbraw/zinc/06/01/81/1072060181.db2.gz YICGOOZWDMMBDW-AWEZNQCLSA-N 1 0 407.496 -0.319 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)Cc1ccccc1 ZINC000468313727 1072060029 /nfs/dbraw/zinc/06/00/29/1072060029.db2.gz YICGOOZWDMMBDW-CQSZACIVSA-N 1 0 407.496 -0.319 20 0 HBADRO Cc1ccn(C[C@](C)(O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(=O)c1 ZINC000468330207 1072061711 /nfs/dbraw/zinc/06/17/11/1072061711.db2.gz OWZFTJJBGZWOFX-IBGZPJMESA-N 1 0 404.471 -0.579 20 0 HBADRO Cc1ccn(C[C@@](C)(O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(=O)c1 ZINC000468330211 1072061877 /nfs/dbraw/zinc/06/18/77/1072061877.db2.gz OWZFTJJBGZWOFX-LJQANCHMSA-N 1 0 404.471 -0.579 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000468376523 1072064475 /nfs/dbraw/zinc/06/44/75/1072064475.db2.gz DTOMRRDBUOQMTJ-INIZCTEOSA-N 1 0 410.544 -0.375 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000468376524 1072064516 /nfs/dbraw/zinc/06/45/16/1072064516.db2.gz DTOMRRDBUOQMTJ-MRXNPFEDSA-N 1 0 410.544 -0.375 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1=O ZINC000468401220 1072065755 /nfs/dbraw/zinc/06/57/55/1072065755.db2.gz BOWGEILBRGYRAZ-KRWDZBQOSA-N 1 0 415.494 -0.715 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1=O ZINC000468401221 1072065581 /nfs/dbraw/zinc/06/55/81/1072065581.db2.gz BOWGEILBRGYRAZ-QGZVFWFLSA-N 1 0 415.494 -0.715 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000468413908 1072067078 /nfs/dbraw/zinc/06/70/78/1072067078.db2.gz BUGLJNKTKAWUKI-GOSISDBHSA-N 1 0 401.511 -0.160 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000468413909 1072066966 /nfs/dbraw/zinc/06/69/66/1072066966.db2.gz BUGLJNKTKAWUKI-SFHVURJKSA-N 1 0 401.511 -0.160 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1=O ZINC000468418598 1072067068 /nfs/dbraw/zinc/06/70/68/1072067068.db2.gz KBGPZNBRYXSAKQ-HNNXBMFYSA-N 1 0 423.539 -0.607 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1=O ZINC000468418599 1072066992 /nfs/dbraw/zinc/06/69/92/1072066992.db2.gz KBGPZNBRYXSAKQ-OAHLLOKOSA-N 1 0 423.539 -0.607 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426338 1072067842 /nfs/dbraw/zinc/06/78/42/1072067842.db2.gz JRNVFJBCJVSCBT-INIZCTEOSA-N 1 0 412.622 -0.054 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426339 1072068132 /nfs/dbraw/zinc/06/81/32/1072068132.db2.gz JRNVFJBCJVSCBT-MRXNPFEDSA-N 1 0 412.622 -0.054 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000468426947 1069661838 /nfs/dbraw/zinc/66/18/38/1069661838.db2.gz GCVDHBJCSSCOPQ-CVEARBPZSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000468426948 1072067932 /nfs/dbraw/zinc/06/79/32/1072067932.db2.gz GCVDHBJCSSCOPQ-HOTGVXAUSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000468426949 1072068029 /nfs/dbraw/zinc/06/80/29/1072068029.db2.gz GCVDHBJCSSCOPQ-HZPDHXFCSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000468426950 1072068061 /nfs/dbraw/zinc/06/80/61/1072068061.db2.gz GCVDHBJCSSCOPQ-JKSUJKDBSA-N 1 0 420.514 -0.083 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000468430522 1072068570 /nfs/dbraw/zinc/06/85/70/1072068570.db2.gz ULDWRGPOBMYGNP-INIZCTEOSA-N 1 0 410.606 -0.300 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000468430524 1072068668 /nfs/dbraw/zinc/06/86/68/1072068668.db2.gz ULDWRGPOBMYGNP-MRXNPFEDSA-N 1 0 410.606 -0.300 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468432138 1069555518 /nfs/dbraw/zinc/55/55/18/1069555518.db2.gz FTOOILOSWQXFIC-INIZCTEOSA-N 1 0 420.514 0.061 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468432139 1069667304 /nfs/dbraw/zinc/66/73/04/1069667304.db2.gz FTOOILOSWQXFIC-MRXNPFEDSA-N 1 0 420.514 0.061 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000468432437 1072069186 /nfs/dbraw/zinc/06/91/86/1072069186.db2.gz KCGFOEXMYITWAT-CVEARBPZSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000468432438 1072068992 /nfs/dbraw/zinc/06/89/92/1072068992.db2.gz KCGFOEXMYITWAT-HOTGVXAUSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000468432439 1072069125 /nfs/dbraw/zinc/06/91/25/1072069125.db2.gz KCGFOEXMYITWAT-HZPDHXFCSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000468432440 1072068677 /nfs/dbraw/zinc/06/86/77/1072068677.db2.gz KCGFOEXMYITWAT-JKSUJKDBSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468432735 1069555425 /nfs/dbraw/zinc/55/54/25/1069555425.db2.gz NHZZTTJQBUXRMR-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468432736 1072068926 /nfs/dbraw/zinc/06/89/26/1072068926.db2.gz NHZZTTJQBUXRMR-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO CC(C)(CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCCCC1 ZINC000468434347 1069555327 /nfs/dbraw/zinc/55/53/27/1069555327.db2.gz GHTLIIKCGNLWGG-UHFFFAOYSA-N 1 0 420.514 0.061 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)n1)N1CCOCC1 ZINC000468434511 1072069532 /nfs/dbraw/zinc/06/95/32/1072069532.db2.gz HBFMACJSWQUMJO-UHFFFAOYSA-N 1 0 406.487 -0.327 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468434543 1069661122 /nfs/dbraw/zinc/66/11/22/1069661122.db2.gz HNZCTQPRXXHTLW-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468434544 1069549851 /nfs/dbraw/zinc/54/98/51/1069549851.db2.gz HNZCTQPRXXHTLW-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n1)N1CCOCC1 ZINC000468436661 1072069450 /nfs/dbraw/zinc/06/94/50/1072069450.db2.gz HQPCCBGWILQHTE-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)n1)N1CCOCC1 ZINC000468439230 1072069992 /nfs/dbraw/zinc/06/99/92/1072069992.db2.gz NOGSDMBWTOIDPV-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468442171 1072070118 /nfs/dbraw/zinc/07/01/18/1072070118.db2.gz JIFQCOAJMVIGNT-AWEZNQCLSA-N 1 0 412.512 -0.229 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468442172 1072070079 /nfs/dbraw/zinc/07/00/79/1072070079.db2.gz JIFQCOAJMVIGNT-CQSZACIVSA-N 1 0 412.512 -0.229 20 0 HBADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468442344 1069543773 /nfs/dbraw/zinc/54/37/73/1069543773.db2.gz BUNDVPNWHXCRHF-UHFFFAOYSA-N 1 0 420.514 -0.129 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468445020 1069563148 /nfs/dbraw/zinc/56/31/48/1069563148.db2.gz SGQDKCVSLMJVPN-UHFFFAOYSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCCC1 ZINC000468448419 1069542647 /nfs/dbraw/zinc/54/26/47/1069542647.db2.gz ZXUNHIXTACIRSM-UHFFFAOYSA-N 1 0 420.514 0.061 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)n1)N1CCOCC1 ZINC000468449035 1072071229 /nfs/dbraw/zinc/07/12/29/1072071229.db2.gz JUZLKDVTALVUFF-UHFFFAOYSA-N 1 0 420.514 0.063 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+](C)C ZINC000468451579 1069563804 /nfs/dbraw/zinc/56/38/04/1069563804.db2.gz SAETUPZUCNRCKW-HNNXBMFYSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+](C)C ZINC000468451593 1069564392 /nfs/dbraw/zinc/56/43/92/1069564392.db2.gz SAETUPZUCNRCKW-OAHLLOKOSA-N 1 0 408.503 -0.227 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468453378 1072071193 /nfs/dbraw/zinc/07/11/93/1072071193.db2.gz XQXRLLGXJKLAKR-CVEARBPZSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468453379 1072071343 /nfs/dbraw/zinc/07/13/43/1072071343.db2.gz XQXRLLGXJKLAKR-HOTGVXAUSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468453380 1069549944 /nfs/dbraw/zinc/54/99/44/1069549944.db2.gz XQXRLLGXJKLAKR-HZPDHXFCSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468453381 1069549989 /nfs/dbraw/zinc/54/99/89/1069549989.db2.gz XQXRLLGXJKLAKR-JKSUJKDBSA-N 1 0 420.514 -0.083 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000468453708 1072071384 /nfs/dbraw/zinc/07/13/84/1072071384.db2.gz YEYJMYFWBAEDFR-INIZCTEOSA-N 1 0 423.539 -0.597 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000468453709 1072071269 /nfs/dbraw/zinc/07/12/69/1072071269.db2.gz YEYJMYFWBAEDFR-MRXNPFEDSA-N 1 0 423.539 -0.597 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCCC1 ZINC000468454293 1072071364 /nfs/dbraw/zinc/07/13/64/1072071364.db2.gz ZLCIIFVXXFJIFK-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCCC1 ZINC000468454294 1072071332 /nfs/dbraw/zinc/07/13/32/1072071332.db2.gz ZLCIIFVXXFJIFK-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCC1 ZINC000468458420 1072071819 /nfs/dbraw/zinc/07/18/19/1072071819.db2.gz LUCNDCOJJDJNHJ-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC(C)(C)[NH2+]1 ZINC000468459899 1069583634 /nfs/dbraw/zinc/58/36/34/1069583634.db2.gz IZSYBOQIQYRAOL-UHFFFAOYSA-N 1 0 420.514 0.106 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)n1)N1CCOCC1 ZINC000468460196 1072071716 /nfs/dbraw/zinc/07/17/16/1072071716.db2.gz MYAKYENMWQTKRW-UHFFFAOYSA-N 1 0 406.487 -0.327 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468463666 1072071841 /nfs/dbraw/zinc/07/18/41/1072071841.db2.gz ZNDBKSUCCINWMS-GOSISDBHSA-N 1 0 422.551 -0.191 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468463667 1072071679 /nfs/dbraw/zinc/07/16/79/1072071679.db2.gz ZNDBKSUCCINWMS-SFHVURJKSA-N 1 0 422.551 -0.191 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468465722 1072071657 /nfs/dbraw/zinc/07/16/57/1072071657.db2.gz HQBLHJARLWIAGS-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000468465753 1069661827 /nfs/dbraw/zinc/66/18/27/1069661827.db2.gz IAJKDDLZKOSNOZ-INIZCTEOSA-N 1 0 420.514 -0.081 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000468465754 1069550003 /nfs/dbraw/zinc/55/00/03/1069550003.db2.gz IAJKDDLZKOSNOZ-MRXNPFEDSA-N 1 0 420.514 -0.081 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1)N1CCOCC1 ZINC000468468437 1072072401 /nfs/dbraw/zinc/07/24/01/1072072401.db2.gz RDBKDRCGPRIEKD-INIZCTEOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1)N1CCOCC1 ZINC000468468438 1069576736 /nfs/dbraw/zinc/57/67/36/1069576736.db2.gz RDBKDRCGPRIEKD-MRXNPFEDSA-N 1 0 418.498 -0.233 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000468469258 1072072452 /nfs/dbraw/zinc/07/24/52/1072072452.db2.gz VJCIAMNJAKIFAC-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000468469259 1072072306 /nfs/dbraw/zinc/07/23/06/1072072306.db2.gz VJCIAMNJAKIFAC-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO CC[NH+]1CCN(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000468469630 1072072369 /nfs/dbraw/zinc/07/23/69/1072072369.db2.gz XHMREGJVHCZTDW-UHFFFAOYSA-N 1 0 424.571 -0.713 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)C ZINC000468469681 1069566896 /nfs/dbraw/zinc/56/68/96/1069566896.db2.gz XULLJIOGDSAQSR-UHFFFAOYSA-N 1 0 408.503 -0.085 20 0 HBADRO O=C(CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000468478043 1072073387 /nfs/dbraw/zinc/07/33/87/1072073387.db2.gz AZVRSDVCLLFPAA-HNNXBMFYSA-N 1 0 401.529 -0.169 20 0 HBADRO O=C(CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000468478044 1072073868 /nfs/dbraw/zinc/07/38/68/1072073868.db2.gz AZVRSDVCLLFPAA-OAHLLOKOSA-N 1 0 401.529 -0.169 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000468478114 1072073301 /nfs/dbraw/zinc/07/33/01/1072073301.db2.gz FXRPIYJXYIMUIB-GOSISDBHSA-N 1 0 422.551 -0.143 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000468478115 1072073470 /nfs/dbraw/zinc/07/34/70/1072073470.db2.gz FXRPIYJXYIMUIB-SFHVURJKSA-N 1 0 422.551 -0.143 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000468479239 1072073948 /nfs/dbraw/zinc/07/39/48/1072073948.db2.gz NTLGXUNWOHNQIQ-KRWDZBQOSA-N 1 0 422.551 -0.040 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000468479240 1072073891 /nfs/dbraw/zinc/07/38/91/1072073891.db2.gz NTLGXUNWOHNQIQ-QGZVFWFLSA-N 1 0 422.551 -0.040 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468479993 1068979478 /nfs/dbraw/zinc/97/94/78/1068979478.db2.gz QYDSVECYAXWMKJ-HNNXBMFYSA-N 1 0 401.529 -0.217 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468479994 1068979515 /nfs/dbraw/zinc/97/95/15/1068979515.db2.gz QYDSVECYAXWMKJ-OAHLLOKOSA-N 1 0 401.529 -0.217 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000468488572 1072073768 /nfs/dbraw/zinc/07/37/68/1072073768.db2.gz NJHWKKJNNWRRHT-UHFFFAOYSA-N 1 0 419.526 -0.164 20 0 HBADRO CC(C)[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000468490639 1072073918 /nfs/dbraw/zinc/07/39/18/1072073918.db2.gz AINGQXITNHVWIG-UHFFFAOYSA-N 1 0 401.577 -0.257 20 0 HBADRO CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000468491470 1072074469 /nfs/dbraw/zinc/07/44/69/1072074469.db2.gz HSJWNBQQXXYVMR-UHFFFAOYSA-N 1 0 421.633 -0.302 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000468558641 1072077589 /nfs/dbraw/zinc/07/75/89/1072077589.db2.gz DIVUGJORVZYUGC-UHFFFAOYSA-N 1 0 410.540 -0.005 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000468566233 1072078272 /nfs/dbraw/zinc/07/82/72/1072078272.db2.gz ODRGMVKKHCYAFJ-UHFFFAOYSA-N 1 0 405.480 -0.434 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000468576038 1072078712 /nfs/dbraw/zinc/07/87/12/1072078712.db2.gz JBOQXSLGIZGXAX-UHFFFAOYSA-N 1 0 409.468 -0.029 20 0 HBADRO CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000468612169 1072080487 /nfs/dbraw/zinc/08/04/87/1072080487.db2.gz XRNDSXRLUJXUPI-UHFFFAOYSA-N 1 0 408.590 -0.217 20 0 HBADRO O=C([C@H]1CCN1Cc1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000468620980 1072081400 /nfs/dbraw/zinc/08/14/00/1072081400.db2.gz VIDXKLFPQQTQCJ-GOSISDBHSA-N 1 0 408.524 -0.018 20 0 HBADRO O=C([C@@H]1CCN1Cc1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000468620983 1072081461 /nfs/dbraw/zinc/08/14/61/1072081461.db2.gz VIDXKLFPQQTQCJ-SFHVURJKSA-N 1 0 408.524 -0.018 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468709493 1072089587 /nfs/dbraw/zinc/08/95/87/1072089587.db2.gz LPUFENPFGGSPBF-UHFFFAOYSA-N 1 0 423.539 -0.448 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725083 1072090980 /nfs/dbraw/zinc/09/09/80/1072090980.db2.gz PQDQGCBPAZYUDM-INIZCTEOSA-N 1 0 409.556 0.390 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725088 1069616316 /nfs/dbraw/zinc/61/63/16/1069616316.db2.gz PQDQGCBPAZYUDM-MRXNPFEDSA-N 1 0 409.556 0.390 20 0 HBADRO C[NH+](C)C1CCN(CCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725660 1072091071 /nfs/dbraw/zinc/09/10/71/1072091071.db2.gz QNFZLAJTYJTXCH-UHFFFAOYSA-N 1 0 409.556 0.390 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000468749278 1072092013 /nfs/dbraw/zinc/09/20/13/1072092013.db2.gz KJJVWGNNETWFDT-CABCVRRESA-N 1 0 400.549 -0.523 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000468749279 1072091820 /nfs/dbraw/zinc/09/18/20/1072091820.db2.gz KJJVWGNNETWFDT-GJZGRUSLSA-N 1 0 400.549 -0.523 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000468749280 1072091753 /nfs/dbraw/zinc/09/17/53/1072091753.db2.gz KJJVWGNNETWFDT-HUUCEWRRSA-N 1 0 400.549 -0.523 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000468749281 1072091915 /nfs/dbraw/zinc/09/19/15/1072091915.db2.gz KJJVWGNNETWFDT-LSDHHAIUSA-N 1 0 400.549 -0.523 20 0 HBADRO CC(CN1CCN(c2nc(N)ns2)CC1)C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000468750917 1072091974 /nfs/dbraw/zinc/09/19/74/1072091974.db2.gz AAUNZXVXPORJFF-UHFFFAOYSA-N 1 0 424.604 -0.205 20 0 HBADRO CC[NH+]1CCN(CC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)CC1 ZINC000468751229 1072092407 /nfs/dbraw/zinc/09/24/07/1072092407.db2.gz ABONKORTXQPLJJ-UHFFFAOYSA-N 1 0 409.556 -0.119 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000468757692 1072092257 /nfs/dbraw/zinc/09/22/57/1072092257.db2.gz ACXCYCLCYOBXKG-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000468757761 1072092221 /nfs/dbraw/zinc/09/22/21/1072092221.db2.gz ACXCYCLCYOBXKG-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000468758197 1072092374 /nfs/dbraw/zinc/09/23/74/1072092374.db2.gz ALGYRGGFTFDXSV-AWEZNQCLSA-N 1 0 411.528 -0.325 20 0 HBADRO CC[NH+]1CCN(CC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000468761286 1072092609 /nfs/dbraw/zinc/09/26/09/1072092609.db2.gz ALGYRGGFTFDXSV-CQSZACIVSA-N 1 0 411.528 -0.325 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000468774504 1072093646 /nfs/dbraw/zinc/09/36/46/1072093646.db2.gz AZXYUNJXFGVZQB-UHFFFAOYSA-N 1 0 409.556 -0.050 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CC1=O ZINC000468788541 1072094443 /nfs/dbraw/zinc/09/44/43/1072094443.db2.gz BWNSXLUOFWZQSU-KBPBESRZSA-N 1 0 400.570 -0.127 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CC1=O ZINC000468788610 1069175628 /nfs/dbraw/zinc/17/56/28/1069175628.db2.gz BWNSXLUOFWZQSU-KGLIPLIRSA-N 1 0 400.570 -0.127 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CC1=O ZINC000468788619 1072094362 /nfs/dbraw/zinc/09/43/62/1072094362.db2.gz BWNSXLUOFWZQSU-UONOGXRCSA-N 1 0 400.570 -0.127 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CC1=O ZINC000468788628 1072094478 /nfs/dbraw/zinc/09/44/78/1072094478.db2.gz BWNSXLUOFWZQSU-ZIAGYGMSSA-N 1 0 400.570 -0.127 20 0 HBADRO COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000468788806 1072094499 /nfs/dbraw/zinc/09/44/99/1072094499.db2.gz BFUILTJNSPPOQV-FKIZINRSSA-N 1 0 402.451 -0.042 20 0 HBADRO COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000468788846 1072094207 /nfs/dbraw/zinc/09/42/07/1072094207.db2.gz BFUILTJNSPPOQV-MPBGBICISA-N 1 0 402.451 -0.042 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1=O ZINC000468788847 1072094386 /nfs/dbraw/zinc/09/43/86/1072094386.db2.gz BIMOYGKECCGDAB-IBGZPJMESA-N 1 0 415.538 -0.143 20 0 HBADRO COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000468788856 1072094276 /nfs/dbraw/zinc/09/42/76/1072094276.db2.gz BFUILTJNSPPOQV-ODXCJYRJSA-N 1 0 402.451 -0.042 20 0 HBADRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000468788870 1072094225 /nfs/dbraw/zinc/09/42/25/1072094225.db2.gz BFUILTJNSPPOQV-YUNKPMOVSA-N 1 0 402.451 -0.042 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1=O ZINC000468789440 1072094187 /nfs/dbraw/zinc/09/41/87/1072094187.db2.gz BIMOYGKECCGDAB-LJQANCHMSA-N 1 0 415.538 -0.143 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)CC1=O ZINC000468794913 1072094316 /nfs/dbraw/zinc/09/43/16/1072094316.db2.gz BRTDCXPFSVOLNN-CYBMUJFWSA-N 1 0 407.446 -0.221 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)CC1=O ZINC000468794996 1072094879 /nfs/dbraw/zinc/09/48/79/1072094879.db2.gz BRTDCXPFSVOLNN-ZDUSSCGKSA-N 1 0 407.446 -0.221 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1)N1CCOCC1 ZINC000468797556 1069577051 /nfs/dbraw/zinc/57/70/51/1069577051.db2.gz BQOYCLCCLIUYFI-INIZCTEOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1)N1CCOCC1 ZINC000468797674 1069577167 /nfs/dbraw/zinc/57/71/67/1069577167.db2.gz BQOYCLCCLIUYFI-MRXNPFEDSA-N 1 0 418.498 -0.233 20 0 HBADRO C[NH+](C)CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468801606 1072094840 /nfs/dbraw/zinc/09/48/40/1072094840.db2.gz COPLYVQIMJJJRH-UHFFFAOYSA-N 1 0 423.495 -0.351 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000468806889 1072095327 /nfs/dbraw/zinc/09/53/27/1072095327.db2.gz CGCFFDGQPRGKSX-BBRMVZONSA-N 1 0 402.451 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000468807031 1072094804 /nfs/dbraw/zinc/09/48/04/1072094804.db2.gz CGCFFDGQPRGKSX-CJNGLKHVSA-N 1 0 402.451 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000468807174 1072094710 /nfs/dbraw/zinc/09/47/10/1072094710.db2.gz CGCFFDGQPRGKSX-CZUORRHYSA-N 1 0 402.451 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000468807406 1072095247 /nfs/dbraw/zinc/09/52/47/1072095247.db2.gz CGCFFDGQPRGKSX-XJKSGUPXSA-N 1 0 402.451 -0.246 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000468810896 1072095573 /nfs/dbraw/zinc/09/55/73/1072095573.db2.gz CPQNBHNTYUKWAY-KRWDZBQOSA-N 1 0 400.483 -0.604 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000468811008 1072095436 /nfs/dbraw/zinc/09/54/36/1072095436.db2.gz CPQNBHNTYUKWAY-QGZVFWFLSA-N 1 0 400.483 -0.604 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C ZINC000468814134 1069544913 /nfs/dbraw/zinc/54/49/13/1069544913.db2.gz CBVBKNNTLXEBNS-HNNXBMFYSA-N 1 0 422.530 0.163 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C ZINC000468814450 1072095783 /nfs/dbraw/zinc/09/57/83/1072095783.db2.gz CBVBKNNTLXEBNS-OAHLLOKOSA-N 1 0 422.530 0.163 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468820510 1072096602 /nfs/dbraw/zinc/09/66/02/1072096602.db2.gz CVICLQGPJXISNC-AWEZNQCLSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468820567 1072096579 /nfs/dbraw/zinc/09/65/79/1072096579.db2.gz CVICLQGPJXISNC-CQSZACIVSA-N 1 0 424.523 -0.086 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccn1 ZINC000468832038 1072096851 /nfs/dbraw/zinc/09/68/51/1072096851.db2.gz FEOKSUHTXSJNQV-UHFFFAOYSA-N 1 0 409.472 -0.713 20 0 HBADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)C ZINC000468838001 1069566912 /nfs/dbraw/zinc/56/69/12/1069566912.db2.gz DKRNNPBXFDIWKD-UHFFFAOYSA-N 1 0 422.530 0.306 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCC3)CCOCC2)c[nH]1 ZINC000468839232 1072096964 /nfs/dbraw/zinc/09/69/64/1072096964.db2.gz FIEMLRWSFTVWEK-UHFFFAOYSA-N 1 0 413.500 -0.847 20 0 HBADRO CO[C@H]1C[C@H](C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000468847454 1072097341 /nfs/dbraw/zinc/09/73/41/1072097341.db2.gz FEWAWCVEWCPFCE-BHYGNILZSA-N 1 0 402.561 -0.338 20 0 HBADRO CO[C@H]1C[C@H](C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000468847520 1072097315 /nfs/dbraw/zinc/09/73/15/1072097315.db2.gz FEWAWCVEWCPFCE-HYVNUMGLSA-N 1 0 402.561 -0.338 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1)N1CCOCC1 ZINC000468850713 1072097910 /nfs/dbraw/zinc/09/79/10/1072097910.db2.gz DEFZAPMLIBXFBF-HNNXBMFYSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1)N1CCOCC1 ZINC000468850823 1072097894 /nfs/dbraw/zinc/09/78/94/1072097894.db2.gz DEFZAPMLIBXFBF-OAHLLOKOSA-N 1 0 418.498 -0.187 20 0 HBADRO CC1(C)COCCN1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468855388 1072097936 /nfs/dbraw/zinc/09/79/36/1072097936.db2.gz FOIPCQDAIZEFIA-CQSZACIVSA-N 1 0 424.523 -0.086 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468868470 1069567062 /nfs/dbraw/zinc/56/70/62/1069567062.db2.gz FVSRTWMINDSSQX-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468868763 1069567464 /nfs/dbraw/zinc/56/74/64/1069567464.db2.gz FVSRTWMINDSSQX-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO Cc1noc(Cn2cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)ccc2=O)n1 ZINC000468879248 1068600784 /nfs/dbraw/zinc/60/07/84/1068600784.db2.gz GYMBBEMMSJRSHH-INIZCTEOSA-N 1 0 414.466 -0.033 20 0 HBADRO Cc1noc(Cn2cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)ccc2=O)n1 ZINC000468879532 1068600885 /nfs/dbraw/zinc/60/08/85/1068600885.db2.gz GYMBBEMMSJRSHH-MRXNPFEDSA-N 1 0 414.466 -0.033 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000468888216 1072099363 /nfs/dbraw/zinc/09/93/63/1072099363.db2.gz HRUUUKCSUWSEQM-UHFFFAOYSA-N 1 0 400.483 -0.602 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000468891660 1072099495 /nfs/dbraw/zinc/09/94/95/1072099495.db2.gz JATCLPYESZYDIK-UHFFFAOYSA-N 1 0 402.499 -0.356 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468898333 1072099387 /nfs/dbraw/zinc/09/93/87/1072099387.db2.gz IERODTDJESMKJO-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468898419 1072099998 /nfs/dbraw/zinc/09/99/98/1072099998.db2.gz IERODTDJESMKJO-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)c2)CC1 ZINC000468914480 1072100456 /nfs/dbraw/zinc/10/04/56/1072100456.db2.gz ISXIMBLGWDZDGF-UHFFFAOYSA-N 1 0 412.498 -0.595 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000468928240 1072101645 /nfs/dbraw/zinc/10/16/45/1072101645.db2.gz LUMZUNZPIZHJLO-KRWDZBQOSA-N 1 0 402.499 -0.310 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000468928843 1072101584 /nfs/dbraw/zinc/10/15/84/1072101584.db2.gz LUMZUNZPIZHJLO-QGZVFWFLSA-N 1 0 402.499 -0.310 20 0 HBADRO Cc1noc(Cn2cc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc2=O)n1 ZINC000468936665 1068616427 /nfs/dbraw/zinc/61/64/27/1068616427.db2.gz LESWUBKFHPXPQR-UHFFFAOYSA-N 1 0 414.466 -0.032 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468943807 1072102383 /nfs/dbraw/zinc/10/23/83/1072102383.db2.gz IEXXKIMDVPYROA-INIZCTEOSA-N 1 0 420.514 -0.129 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468943988 1072102257 /nfs/dbraw/zinc/10/22/57/1072102257.db2.gz IEXXKIMDVPYROA-MRXNPFEDSA-N 1 0 420.514 -0.129 20 0 HBADRO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000468949049 1072102392 /nfs/dbraw/zinc/10/23/92/1072102392.db2.gz KOXZQUKSWQZSMF-UHFFFAOYSA-N 1 0 412.512 -0.080 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468975559 1069613344 /nfs/dbraw/zinc/61/33/44/1069613344.db2.gz KVQXIWQOBULTDH-HNNXBMFYSA-N 1 0 406.487 -0.377 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468975799 1069612673 /nfs/dbraw/zinc/61/26/73/1069612673.db2.gz KVQXIWQOBULTDH-OAHLLOKOSA-N 1 0 406.487 -0.377 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000469030704 1072106071 /nfs/dbraw/zinc/10/60/71/1072106071.db2.gz SVCZMHZLFXFHCN-UHFFFAOYSA-N 1 0 406.549 -0.610 20 0 HBADRO CCn1nc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C1CC1 ZINC000469030917 1072106194 /nfs/dbraw/zinc/10/61/94/1072106194.db2.gz NIVZPVQYYKGVBZ-UHFFFAOYSA-N 1 0 402.499 0.486 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000469040820 1072106560 /nfs/dbraw/zinc/10/65/60/1072106560.db2.gz SZDSTRVGIJQMOO-UHFFFAOYSA-N 1 0 409.468 -0.029 20 0 HBADRO Cc1c([C@@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC(=O)N2C)cnn1C ZINC000469043017 1072107202 /nfs/dbraw/zinc/10/72/02/1072107202.db2.gz SSYQVYSODZVEPB-DAYGRLMNSA-N 1 0 404.515 -0.048 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC(=O)N2C)cnn1C ZINC000469043222 1072106531 /nfs/dbraw/zinc/10/65/31/1072106531.db2.gz SSYQVYSODZVEPB-MPGHIAIKSA-N 1 0 404.515 -0.048 20 0 HBADRO Cc1c([C@@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC(=O)N2C)cnn1C ZINC000469043341 1072106548 /nfs/dbraw/zinc/10/65/48/1072106548.db2.gz SSYQVYSODZVEPB-RKVPGOIHSA-N 1 0 404.515 -0.048 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC(=O)N2C)cnn1C ZINC000469043528 1072107131 /nfs/dbraw/zinc/10/71/31/1072107131.db2.gz SSYQVYSODZVEPB-VKJFTORMSA-N 1 0 404.515 -0.048 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1=O ZINC000469053398 1072107585 /nfs/dbraw/zinc/10/75/85/1072107585.db2.gz UFXBCANFDLLRCP-KRWDZBQOSA-N 1 0 416.526 -0.190 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1=O ZINC000469053560 1072107627 /nfs/dbraw/zinc/10/76/27/1072107627.db2.gz UFXBCANFDLLRCP-QGZVFWFLSA-N 1 0 416.526 -0.190 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000469070095 1072108148 /nfs/dbraw/zinc/10/81/48/1072108148.db2.gz QSMDYMFJPZWNEC-UHFFFAOYSA-N 1 0 423.583 -0.502 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000469073654 1069591501 /nfs/dbraw/zinc/59/15/01/1069591501.db2.gz QGOVBDYYHUTRHN-UHFFFAOYSA-N 1 0 420.514 0.061 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c1 ZINC000469076817 1072108534 /nfs/dbraw/zinc/10/85/34/1072108534.db2.gz WBTMOOUWNPSWRN-UHFFFAOYSA-N 1 0 422.467 -0.856 20 0 HBADRO CC(C)C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(=O)NCC[NH+](C)C ZINC000469113278 1072110478 /nfs/dbraw/zinc/11/04/78/1072110478.db2.gz YQOILOMZHJGJIX-KRWDZBQOSA-N 1 0 404.515 -0.160 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469114298 1072110472 /nfs/dbraw/zinc/11/04/72/1072110472.db2.gz XDPUCHJAMYTVRE-INIZCTEOSA-N 1 0 402.499 -0.553 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000469116333 1072110466 /nfs/dbraw/zinc/11/04/66/1072110466.db2.gz INQFMWMGIIZLQW-UHFFFAOYSA-N 1 0 418.560 -0.418 20 0 HBADRO Cc1nc(Cn2nnc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2C)no1 ZINC000469123386 1072111052 /nfs/dbraw/zinc/11/10/52/1072111052.db2.gz WSGPVEJIMFUXPE-UHFFFAOYSA-N 1 0 402.459 -0.294 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469171152 1069649201 /nfs/dbraw/zinc/64/92/01/1069649201.db2.gz IGWWRTMDBXUYCP-INIZCTEOSA-N 1 0 420.514 0.061 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469171182 1069644631 /nfs/dbraw/zinc/64/46/31/1069644631.db2.gz IGWWRTMDBXUYCP-MRXNPFEDSA-N 1 0 420.514 0.061 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000469196848 1072113417 /nfs/dbraw/zinc/11/34/17/1072113417.db2.gz IDNTVEJIFMWOCF-UHFFFAOYSA-N 1 0 402.499 -0.310 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1)N1CCOCC1 ZINC000469207647 1072113924 /nfs/dbraw/zinc/11/39/24/1072113924.db2.gz MBHCBIHBFJJUQL-INIZCTEOSA-N 1 0 418.498 -0.375 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1)N1CCOCC1 ZINC000469207935 1072113917 /nfs/dbraw/zinc/11/39/17/1072113917.db2.gz MBHCBIHBFJJUQL-MRXNPFEDSA-N 1 0 418.498 -0.375 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469208826 1072113899 /nfs/dbraw/zinc/11/38/99/1072113899.db2.gz OZMGTYVFIFLGQA-DLBZAZTESA-N 1 0 411.547 -0.918 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469209238 1072113872 /nfs/dbraw/zinc/11/38/72/1072113872.db2.gz OZMGTYVFIFLGQA-IAGOWNOFSA-N 1 0 411.547 -0.918 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469209242 1072113893 /nfs/dbraw/zinc/11/38/93/1072113893.db2.gz OZMGTYVFIFLGQA-IRXDYDNUSA-N 1 0 411.547 -0.918 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469209248 1072113887 /nfs/dbraw/zinc/11/38/87/1072113887.db2.gz OZMGTYVFIFLGQA-SJORKVTESA-N 1 0 411.547 -0.918 20 0 HBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469219365 1072114184 /nfs/dbraw/zinc/11/41/84/1072114184.db2.gz XJSGPIXYMHZYKH-DLBZAZTESA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469219427 1072114273 /nfs/dbraw/zinc/11/42/73/1072114273.db2.gz XJSGPIXYMHZYKH-IAGOWNOFSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469219459 1072114242 /nfs/dbraw/zinc/11/42/42/1072114242.db2.gz XJSGPIXYMHZYKH-IRXDYDNUSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000469219508 1072114216 /nfs/dbraw/zinc/11/42/16/1072114216.db2.gz XJSGPIXYMHZYKH-SJORKVTESA-N 1 0 407.559 -0.012 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)c1 ZINC000469246539 1072115104 /nfs/dbraw/zinc/11/51/04/1072115104.db2.gz UTAZGQSNNFZVQD-UHFFFAOYSA-N 1 0 423.451 -0.591 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000469258573 1069851930 /nfs/dbraw/zinc/85/19/30/1069851930.db2.gz KACMPNFJZHNDLP-CVEARBPZSA-N 1 0 410.515 -0.343 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000469258598 1072115518 /nfs/dbraw/zinc/11/55/18/1072115518.db2.gz KACMPNFJZHNDLP-HOTGVXAUSA-N 1 0 410.515 -0.343 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000469258620 1072115538 /nfs/dbraw/zinc/11/55/38/1072115538.db2.gz KACMPNFJZHNDLP-HZPDHXFCSA-N 1 0 410.515 -0.343 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000469258640 1072115523 /nfs/dbraw/zinc/11/55/23/1072115523.db2.gz KACMPNFJZHNDLP-JKSUJKDBSA-N 1 0 410.515 -0.343 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000469291227 1069548612 /nfs/dbraw/zinc/54/86/12/1069548612.db2.gz QDYMELPMSASGKU-CABCVRRESA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000469291269 1069548833 /nfs/dbraw/zinc/54/88/33/1069548833.db2.gz QDYMELPMSASGKU-GJZGRUSLSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000469291272 1069548765 /nfs/dbraw/zinc/54/87/65/1069548765.db2.gz QDYMELPMSASGKU-HUUCEWRRSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000469291286 1069548629 /nfs/dbraw/zinc/54/86/29/1069548629.db2.gz QDYMELPMSASGKU-LSDHHAIUSA-N 1 0 406.487 -0.331 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000469292739 1072117607 /nfs/dbraw/zinc/11/76/07/1072117607.db2.gz QOTCANLGXIYOTO-UHFFFAOYSA-N 1 0 401.489 -0.109 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000469301772 1069615547 /nfs/dbraw/zinc/61/55/47/1069615547.db2.gz SCCMBJQDGZMWLH-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000469302393 1072118005 /nfs/dbraw/zinc/11/80/05/1072118005.db2.gz KVUFEYJBWUBPEF-GOSISDBHSA-N 1 0 407.559 -0.201 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000469302418 1072117986 /nfs/dbraw/zinc/11/79/86/1072117986.db2.gz KVUFEYJBWUBPEF-SFHVURJKSA-N 1 0 407.559 -0.201 20 0 HBADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000469302993 1072117995 /nfs/dbraw/zinc/11/79/95/1072117995.db2.gz UHFPLSDIBUYBRF-UHFFFAOYSA-N 1 0 408.484 -0.623 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000469314335 1072118539 /nfs/dbraw/zinc/11/85/39/1072118539.db2.gz WGAGFGLWFFZKJC-UHFFFAOYSA-N 1 0 420.514 0.061 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469314927 1069615383 /nfs/dbraw/zinc/61/53/83/1069615383.db2.gz XBYCNJDLQZFASR-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469314945 1069615482 /nfs/dbraw/zinc/61/54/82/1069615482.db2.gz XBYCNJDLQZFASR-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO CC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(N)=O ZINC000469320161 1072118568 /nfs/dbraw/zinc/11/85/68/1072118568.db2.gz WQZHEQDJEYGFOB-KRWDZBQOSA-N 1 0 403.483 -0.492 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000469323811 1069599198 /nfs/dbraw/zinc/59/91/98/1069599198.db2.gz ZEKDBVKLJFZOQE-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469339330 1069556051 /nfs/dbraw/zinc/55/60/51/1069556051.db2.gz JWSKHYDDAUHYIZ-HOTGVXAUSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469339339 1069667849 /nfs/dbraw/zinc/66/78/49/1069667849.db2.gz JWSKHYDDAUHYIZ-HZPDHXFCSA-N 1 0 420.514 0.060 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469339341 1069667916 /nfs/dbraw/zinc/66/79/16/1069667916.db2.gz JWSKHYDDAUHYIZ-IYBDPMFKSA-N 1 0 420.514 0.060 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000469339382 1069567211 /nfs/dbraw/zinc/56/72/11/1069567211.db2.gz JZUCHPRWOOZJDG-UHFFFAOYSA-N 1 0 406.487 -0.377 20 0 HBADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+](C)C ZINC000469350225 1072119845 /nfs/dbraw/zinc/11/98/45/1072119845.db2.gz RHXCIQNTHFSSDV-INIZCTEOSA-N 1 0 422.530 0.163 20 0 HBADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+](C)C ZINC000469350233 1072119727 /nfs/dbraw/zinc/11/97/27/1072119727.db2.gz RHXCIQNTHFSSDV-MRXNPFEDSA-N 1 0 422.530 0.163 20 0 HBADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469351333 1072119744 /nfs/dbraw/zinc/11/97/44/1072119744.db2.gz TZTOBKLBRDNUOU-UHFFFAOYSA-N 1 0 424.479 -0.086 20 0 HBADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469352223 1070063794 /nfs/dbraw/zinc/06/37/94/1070063794.db2.gz ZPEKFWKNZVUXBH-UHFFFAOYSA-N 1 0 409.468 -0.358 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000469354796 1072119899 /nfs/dbraw/zinc/11/98/99/1072119899.db2.gz GZKUSPNGZSGKBC-UHFFFAOYSA-N 1 0 415.516 -0.603 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469357342 1072120444 /nfs/dbraw/zinc/12/04/44/1072120444.db2.gz JWTHWTFGKUQPHE-UHFFFAOYSA-N 1 0 420.576 -0.174 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000469360383 1072120357 /nfs/dbraw/zinc/12/03/57/1072120357.db2.gz YLHFCBGKHHLGCE-CYBMUJFWSA-N 1 0 418.541 -0.501 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000469360385 1072120420 /nfs/dbraw/zinc/12/04/20/1072120420.db2.gz YLHFCBGKHHLGCE-ZDUSSCGKSA-N 1 0 418.541 -0.501 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000469360780 1072120430 /nfs/dbraw/zinc/12/04/30/1072120430.db2.gz PSSJIQQNLIHENM-UHFFFAOYSA-N 1 0 416.500 -0.338 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nnn(Cc3noc(C)n3)c2C)CC1 ZINC000469373564 1072120821 /nfs/dbraw/zinc/12/08/21/1072120821.db2.gz PQSKPROGNZQGLW-UHFFFAOYSA-N 1 0 404.475 -0.048 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)cn1 ZINC000469374330 1072120877 /nfs/dbraw/zinc/12/08/77/1072120877.db2.gz ABNRDQAOUDSXFZ-UHFFFAOYSA-N 1 0 414.470 -0.856 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000469375006 1072120855 /nfs/dbraw/zinc/12/08/55/1072120855.db2.gz JAPUGVABEXCYTE-UHFFFAOYSA-N 1 0 423.499 -0.116 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000469382179 1072121418 /nfs/dbraw/zinc/12/14/18/1072121418.db2.gz USZBTGPZZWUEKD-UHFFFAOYSA-N 1 0 423.495 -0.351 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000469383888 1072121380 /nfs/dbraw/zinc/12/13/80/1072121380.db2.gz MYCPIUAXHLZWDB-UHFFFAOYSA-N 1 0 423.495 -0.351 20 0 HBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000469391160 1070135260 /nfs/dbraw/zinc/13/52/60/1070135260.db2.gz NWXBFDXWNMFBPB-UHFFFAOYSA-N 1 0 400.423 -0.090 20 0 HBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000469393292 1072121985 /nfs/dbraw/zinc/12/19/85/1072121985.db2.gz MGENHAQTYKLZOB-KRWDZBQOSA-N 1 0 414.484 -0.658 20 0 HBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000469393293 1072121887 /nfs/dbraw/zinc/12/18/87/1072121887.db2.gz MGENHAQTYKLZOB-QGZVFWFLSA-N 1 0 414.484 -0.658 20 0 HBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000469394161 1072121928 /nfs/dbraw/zinc/12/19/28/1072121928.db2.gz WOMGJJIETMYXMW-UHFFFAOYSA-N 1 0 421.541 -0.700 20 0 HBADRO CC[N@H+](CCO)CCNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000469403931 1072122976 /nfs/dbraw/zinc/12/29/76/1072122976.db2.gz MENDANYDSQMWPE-UHFFFAOYSA-N 1 0 411.521 -0.320 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000469419417 1072123942 /nfs/dbraw/zinc/12/39/42/1072123942.db2.gz DEUSVGFSGQRHBX-CYBMUJFWSA-N 1 0 415.516 -0.743 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000469419418 1072123845 /nfs/dbraw/zinc/12/38/45/1072123845.db2.gz DEUSVGFSGQRHBX-ZDUSSCGKSA-N 1 0 415.516 -0.743 20 0 HBADRO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000469448275 1072124910 /nfs/dbraw/zinc/12/49/10/1072124910.db2.gz MXAGNYFOKPUMQB-UHFFFAOYSA-N 1 0 410.544 -0.129 20 0 HBADRO CN1CCC(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000469461639 1072125375 /nfs/dbraw/zinc/12/53/75/1072125375.db2.gz VXJAVNUKFQTQIR-UHFFFAOYSA-N 1 0 415.604 -0.370 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000469475614 1072125788 /nfs/dbraw/zinc/12/57/88/1072125788.db2.gz CDELTXVCRQVLBB-DLBZAZTESA-N 1 0 404.577 -0.183 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000469475615 1072125819 /nfs/dbraw/zinc/12/58/19/1072125819.db2.gz CDELTXVCRQVLBB-IAGOWNOFSA-N 1 0 404.577 -0.183 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000469475616 1072125793 /nfs/dbraw/zinc/12/57/93/1072125793.db2.gz CDELTXVCRQVLBB-IRXDYDNUSA-N 1 0 404.577 -0.183 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000469475617 1072125774 /nfs/dbraw/zinc/12/57/74/1072125774.db2.gz CDELTXVCRQVLBB-SJORKVTESA-N 1 0 404.577 -0.183 20 0 HBADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000469488280 1072127310 /nfs/dbraw/zinc/12/73/10/1072127310.db2.gz QOVUXBFNZGWOPX-GOSISDBHSA-N 1 0 423.583 -0.110 20 0 HBADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000469488281 1072127253 /nfs/dbraw/zinc/12/72/53/1072127253.db2.gz QOVUXBFNZGWOPX-SFHVURJKSA-N 1 0 423.583 -0.110 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000469490290 1072127183 /nfs/dbraw/zinc/12/71/83/1072127183.db2.gz QTGGMKBIDSKDQL-UHFFFAOYSA-N 1 0 415.516 -0.953 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccccc1OCC[NH+](C)C)C2 ZINC000469492035 1072127702 /nfs/dbraw/zinc/12/77/02/1072127702.db2.gz NJAFTJWKCTVTAO-UHFFFAOYSA-N 1 0 416.482 -0.271 20 0 HBADRO C[NH+](C)CCc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000469492891 1072127663 /nfs/dbraw/zinc/12/76/63/1072127663.db2.gz YXKNSXYPHWSXMJ-UHFFFAOYSA-N 1 0 407.496 -0.188 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000469501647 1070401831 /nfs/dbraw/zinc/40/18/31/1070401831.db2.gz NCBFZNGLEVSPIM-AWEZNQCLSA-N 1 0 401.533 -0.447 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000469501648 1070401408 /nfs/dbraw/zinc/40/14/08/1070401408.db2.gz NCBFZNGLEVSPIM-CQSZACIVSA-N 1 0 401.533 -0.447 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000469504516 1070407471 /nfs/dbraw/zinc/40/74/71/1070407471.db2.gz GOVGIRSHJCKDCU-AWEZNQCLSA-N 1 0 401.533 -0.305 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000469504517 1070407310 /nfs/dbraw/zinc/40/73/10/1070407310.db2.gz GOVGIRSHJCKDCU-CQSZACIVSA-N 1 0 401.533 -0.305 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000469519942 1072130179 /nfs/dbraw/zinc/13/01/79/1072130179.db2.gz BDXCZLKUDJBKKQ-UHFFFAOYSA-N 1 0 416.588 -0.038 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000469537847 1070501317 /nfs/dbraw/zinc/50/13/17/1070501317.db2.gz NYKLHSNPNQQKFU-OWCLPIDISA-N 1 0 400.545 -0.693 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000469537848 1070501160 /nfs/dbraw/zinc/50/11/60/1070501160.db2.gz NYKLHSNPNQQKFU-XHSDSOJGSA-N 1 0 400.545 -0.693 20 0 HBADRO CC[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000469541610 1072130698 /nfs/dbraw/zinc/13/06/98/1072130698.db2.gz FFWFLUAQKISHPH-CVEARBPZSA-N 1 0 402.561 -0.446 20 0 HBADRO CC[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000469541611 1072130740 /nfs/dbraw/zinc/13/07/40/1072130740.db2.gz FFWFLUAQKISHPH-HOTGVXAUSA-N 1 0 402.561 -0.446 20 0 HBADRO CC[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000469541612 1072130713 /nfs/dbraw/zinc/13/07/13/1072130713.db2.gz FFWFLUAQKISHPH-HZPDHXFCSA-N 1 0 402.561 -0.446 20 0 HBADRO CC[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000469541613 1070521065 /nfs/dbraw/zinc/52/10/65/1070521065.db2.gz FFWFLUAQKISHPH-JKSUJKDBSA-N 1 0 402.561 -0.446 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCC[NH+]3CCC(O)CC3)CC2=O)c1 ZINC000469560099 1072131267 /nfs/dbraw/zinc/13/12/67/1072131267.db2.gz ICZSXFKUUKOPCE-AWEZNQCLSA-N 1 0 424.523 -0.350 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCC[NH+]3CCC(O)CC3)CC2=O)c1 ZINC000469560100 1072131315 /nfs/dbraw/zinc/13/13/15/1072131315.db2.gz ICZSXFKUUKOPCE-CQSZACIVSA-N 1 0 424.523 -0.350 20 0 HBADRO CC[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1CCOC ZINC000469565288 1072132255 /nfs/dbraw/zinc/13/22/55/1072132255.db2.gz MMGRKPYQVMOLMQ-HNNXBMFYSA-N 1 0 406.549 -0.610 20 0 HBADRO CC[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1CCOC ZINC000469565289 1072132171 /nfs/dbraw/zinc/13/21/71/1072132171.db2.gz MMGRKPYQVMOLMQ-OAHLLOKOSA-N 1 0 406.549 -0.610 20 0 HBADRO CC[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000469600345 1072133692 /nfs/dbraw/zinc/13/36/92/1072133692.db2.gz HFOQFGSKTMBLEW-CABCVRRESA-N 1 0 406.549 -0.876 20 0 HBADRO CC[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000469600346 1072133785 /nfs/dbraw/zinc/13/37/85/1072133785.db2.gz HFOQFGSKTMBLEW-GJZGRUSLSA-N 1 0 406.549 -0.876 20 0 HBADRO CC[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000469600347 1072133869 /nfs/dbraw/zinc/13/38/69/1072133869.db2.gz HFOQFGSKTMBLEW-HUUCEWRRSA-N 1 0 406.549 -0.876 20 0 HBADRO CC[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000469600348 1072133759 /nfs/dbraw/zinc/13/37/59/1072133759.db2.gz HFOQFGSKTMBLEW-LSDHHAIUSA-N 1 0 406.549 -0.876 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)(C)C[NH+](C)C ZINC000469605515 1072134308 /nfs/dbraw/zinc/13/43/08/1072134308.db2.gz UIZBNHOPBGCZJC-LLVKDONJSA-N 1 0 404.471 -0.337 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)(C)C[NH+](C)C ZINC000469605516 1072134324 /nfs/dbraw/zinc/13/43/24/1072134324.db2.gz UIZBNHOPBGCZJC-NSHDSACASA-N 1 0 404.471 -0.337 20 0 HBADRO Cc1nc(Cn2nnc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2C)no1 ZINC000469606663 1072134240 /nfs/dbraw/zinc/13/42/40/1072134240.db2.gz IOPQOPFZLPTBTJ-AWEZNQCLSA-N 1 0 402.459 -0.295 20 0 HBADRO Cc1nc(Cn2nnc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2C)no1 ZINC000469606664 1072134286 /nfs/dbraw/zinc/13/42/86/1072134286.db2.gz IOPQOPFZLPTBTJ-CQSZACIVSA-N 1 0 402.459 -0.295 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000469609216 1072134347 /nfs/dbraw/zinc/13/43/47/1072134347.db2.gz NFJSCYQPSNWTHT-HNNXBMFYSA-N 1 0 404.533 -0.999 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000469609217 1072134251 /nfs/dbraw/zinc/13/42/51/1072134251.db2.gz NFJSCYQPSNWTHT-OAHLLOKOSA-N 1 0 404.533 -0.999 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C[NH+](C)C ZINC000469613773 1072134215 /nfs/dbraw/zinc/13/42/15/1072134215.db2.gz QVSXDOJJBZFOCF-AWEZNQCLSA-N 1 0 408.503 -0.227 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C[NH+](C)C ZINC000469613774 1072134237 /nfs/dbraw/zinc/13/42/37/1072134237.db2.gz QVSXDOJJBZFOCF-CQSZACIVSA-N 1 0 408.503 -0.227 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000469622198 1069301480 /nfs/dbraw/zinc/30/14/80/1069301480.db2.gz SBRKVCRHCIOUHW-UHFFFAOYSA-N 1 0 402.473 -0.564 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000469627533 1072134884 /nfs/dbraw/zinc/13/48/84/1072134884.db2.gz MXRJNRKNDTUWQL-UHFFFAOYSA-N 1 0 400.501 -0.386 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000469629976 1072134866 /nfs/dbraw/zinc/13/48/66/1072134866.db2.gz INJVSDBZMMVNID-UHFFFAOYSA-N 1 0 412.512 -0.710 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000469630385 1070677692 /nfs/dbraw/zinc/67/76/92/1070677692.db2.gz KIWJTAUIEHKPRM-UHFFFAOYSA-N 1 0 416.500 -0.686 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000469630877 1072134900 /nfs/dbraw/zinc/13/49/00/1072134900.db2.gz IJRSNVMBACINAC-UHFFFAOYSA-N 1 0 416.500 -0.686 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000469630993 1072134849 /nfs/dbraw/zinc/13/48/49/1072134849.db2.gz LLOPOWZARFKSRL-UHFFFAOYSA-N 1 0 416.475 -0.266 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000469631485 1072134829 /nfs/dbraw/zinc/13/48/29/1072134829.db2.gz LBEAROJACLDLNK-AWEZNQCLSA-N 1 0 400.501 -0.266 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000469631487 1072134980 /nfs/dbraw/zinc/13/49/80/1072134980.db2.gz LBEAROJACLDLNK-CQSZACIVSA-N 1 0 400.501 -0.266 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000469634947 1072134957 /nfs/dbraw/zinc/13/49/57/1072134957.db2.gz XABHBRKLOYAKAI-UHFFFAOYSA-N 1 0 404.464 -0.555 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000469644662 1070692878 /nfs/dbraw/zinc/69/28/78/1070692878.db2.gz XEOAFLSODLWGJP-UHFFFAOYSA-N 1 0 402.473 -0.564 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000469648257 1069558550 /nfs/dbraw/zinc/55/85/50/1069558550.db2.gz OLXKKQAQYJVMFW-INIZCTEOSA-N 1 0 415.498 0.235 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000469648258 1069558765 /nfs/dbraw/zinc/55/87/65/1069558765.db2.gz OLXKKQAQYJVMFW-MRXNPFEDSA-N 1 0 415.498 0.235 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CCN(c3ccccn3)CC2)cn1 ZINC000469698506 1072136487 /nfs/dbraw/zinc/13/64/87/1072136487.db2.gz BFTQQQASTCULQO-UHFFFAOYSA-N 1 0 414.514 -0.283 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)C[C@@H](C)O1 ZINC000469705932 1072136491 /nfs/dbraw/zinc/13/64/91/1072136491.db2.gz WPLNOFSNWZRUQO-BZUAXINKSA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)C[C@@H](C)O1 ZINC000469705933 1072136457 /nfs/dbraw/zinc/13/64/57/1072136457.db2.gz WPLNOFSNWZRUQO-OAGGEKHMSA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)C[C@H](C)O1 ZINC000469705934 1072136430 /nfs/dbraw/zinc/13/64/30/1072136430.db2.gz WPLNOFSNWZRUQO-OWCLPIDISA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)C[C@H](C)O1 ZINC000469705935 1072136504 /nfs/dbraw/zinc/13/65/04/1072136504.db2.gz WPLNOFSNWZRUQO-XHSDSOJGSA-N 1 0 420.514 -0.133 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469709282 1072136859 /nfs/dbraw/zinc/13/68/59/1072136859.db2.gz DCSHIJNNYQLGQP-AWEZNQCLSA-N 1 0 412.512 -0.229 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469709286 1072136785 /nfs/dbraw/zinc/13/67/85/1072136785.db2.gz DCSHIJNNYQLGQP-CQSZACIVSA-N 1 0 412.512 -0.229 20 0 HBADRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)Cc2ccccc2C1 ZINC000469724952 1072137427 /nfs/dbraw/zinc/13/74/27/1072137427.db2.gz JMASRGXCBYGMTH-UHFFFAOYSA-N 1 0 419.507 -0.393 20 0 HBADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)Cc2ccccc2C1 ZINC000469726560 1072137395 /nfs/dbraw/zinc/13/73/95/1072137395.db2.gz VBLJIPZEFQYQRW-UHFFFAOYSA-N 1 0 420.491 -0.128 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000469859627 1071223609 /nfs/dbraw/zinc/22/36/09/1071223609.db2.gz PLNNRGNFRDVWNG-UHFFFAOYSA-N 1 0 418.560 -0.609 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000469871879 1071250819 /nfs/dbraw/zinc/25/08/19/1071250819.db2.gz PBGJFZYRGUFXMS-UHFFFAOYSA-N 1 0 424.567 -0.163 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)CN3CCN(S(C)(=O)=O)CC3)cn2)CC1 ZINC000469872971 1072138318 /nfs/dbraw/zinc/13/83/18/1072138318.db2.gz RRZDDLRGAVIUSZ-UHFFFAOYSA-N 1 0 410.544 -0.973 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)C[C@H](C)O1 ZINC000469873238 1072138285 /nfs/dbraw/zinc/13/82/85/1072138285.db2.gz RAIXBJWNOVDZKO-IRXDYDNUSA-N 1 0 416.588 -0.089 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccnc(OCC[NH+](C)C)c1)C2 ZINC000469877782 1071267608 /nfs/dbraw/zinc/26/76/08/1071267608.db2.gz CXRCFCINJXZYGC-UHFFFAOYSA-N 1 0 417.470 -0.876 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000469893897 1072140149 /nfs/dbraw/zinc/14/01/49/1072140149.db2.gz RDZSRMZCJZZVOE-UHFFFAOYSA-N 1 0 420.514 -0.490 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469902382 1071314534 /nfs/dbraw/zinc/31/45/34/1071314534.db2.gz QVRXGAWNXUMMCB-KRWDZBQOSA-N 1 0 401.577 -0.808 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469902383 1071314308 /nfs/dbraw/zinc/31/43/08/1071314308.db2.gz QVRXGAWNXUMMCB-QGZVFWFLSA-N 1 0 401.577 -0.808 20 0 HBADRO C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000469904916 1072140746 /nfs/dbraw/zinc/14/07/46/1072140746.db2.gz GSICMHPCPWXVPQ-INIZCTEOSA-N 1 0 402.561 -0.287 20 0 HBADRO C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000469904920 1071316863 /nfs/dbraw/zinc/31/68/63/1071316863.db2.gz GSICMHPCPWXVPQ-MRXNPFEDSA-N 1 0 402.561 -0.287 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1=O ZINC000469993817 1071530950 /nfs/dbraw/zinc/53/09/50/1071530950.db2.gz XCOBXGGPADCGME-CABCVRRESA-N 1 0 404.533 -0.999 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1=O ZINC000469993818 1071530688 /nfs/dbraw/zinc/53/06/88/1071530688.db2.gz XCOBXGGPADCGME-GJZGRUSLSA-N 1 0 404.533 -0.999 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1=O ZINC000469993819 1071531409 /nfs/dbraw/zinc/53/14/09/1071531409.db2.gz XCOBXGGPADCGME-HUUCEWRRSA-N 1 0 404.533 -0.999 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1=O ZINC000469993820 1071531739 /nfs/dbraw/zinc/53/17/39/1071531739.db2.gz XCOBXGGPADCGME-LSDHHAIUSA-N 1 0 404.533 -0.999 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C)(O)CC2)CC1 ZINC000470015521 1069040426 /nfs/dbraw/zinc/04/04/26/1069040426.db2.gz AQSUZBQHKXJNBQ-UHFFFAOYSA-N 1 0 400.501 -0.029 20 0 HBADRO COc1c(F)cc(CC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1S(N)(=O)=O ZINC000470062321 1069179500 /nfs/dbraw/zinc/17/95/00/1069179500.db2.gz NKIAZBCHAAAVKZ-LBPRGKRZSA-N 1 0 403.476 -0.061 20 0 HBADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000470069620 1069199721 /nfs/dbraw/zinc/19/97/21/1069199721.db2.gz DGXSBEOTGCQVJQ-CQSZACIVSA-N 1 0 400.501 -0.436 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470077726 1069219229 /nfs/dbraw/zinc/21/92/29/1069219229.db2.gz ZVNKBYGGQAFQEK-GXTWGEPZSA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470077727 1069220009 /nfs/dbraw/zinc/22/00/09/1069220009.db2.gz ZVNKBYGGQAFQEK-JSGCOSHPSA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470077728 1069220143 /nfs/dbraw/zinc/22/01/43/1069220143.db2.gz ZVNKBYGGQAFQEK-OCCSQVGLSA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470077729 1069219833 /nfs/dbraw/zinc/21/98/33/1069219833.db2.gz ZVNKBYGGQAFQEK-TZMCWYRMSA-N 1 0 401.533 -0.381 20 0 HBADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000470084369 1069662571 /nfs/dbraw/zinc/66/25/71/1069662571.db2.gz ZDKRUJFPEJGWDP-AWEZNQCLSA-N 1 0 418.498 -0.094 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCO1 ZINC000470097960 1069308197 /nfs/dbraw/zinc/30/81/97/1069308197.db2.gz RCMWFHXBMVVDLC-BZUAXINKSA-N 1 0 401.529 -0.361 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCO1 ZINC000470097961 1069308029 /nfs/dbraw/zinc/30/80/29/1069308029.db2.gz RCMWFHXBMVVDLC-OAGGEKHMSA-N 1 0 401.529 -0.361 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCCO1 ZINC000470097962 1069307924 /nfs/dbraw/zinc/30/79/24/1069307924.db2.gz RCMWFHXBMVVDLC-OWCLPIDISA-N 1 0 401.529 -0.361 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCCO1 ZINC000470097963 1069308082 /nfs/dbraw/zinc/30/80/82/1069308082.db2.gz RCMWFHXBMVVDLC-PMPSAXMXSA-N 1 0 401.529 -0.361 20 0 HBADRO CCC[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000470216579 1069641745 /nfs/dbraw/zinc/64/17/45/1069641745.db2.gz AXZDCZPPEOOKJV-HNNXBMFYSA-N 1 0 408.503 -0.344 20 0 HBADRO CCC[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000470216580 1069641824 /nfs/dbraw/zinc/64/18/24/1069641824.db2.gz AXZDCZPPEOOKJV-OAHLLOKOSA-N 1 0 408.503 -0.344 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000470587217 1069425377 /nfs/dbraw/zinc/42/53/77/1069425377.db2.gz GTDAFMHJDGRMAU-OAGGEKHMSA-N 1 0 403.545 -0.474 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000470587218 1069425245 /nfs/dbraw/zinc/42/52/45/1069425245.db2.gz GTDAFMHJDGRMAU-XHSDSOJGSA-N 1 0 403.545 -0.474 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000470590055 1069429291 /nfs/dbraw/zinc/42/92/91/1069429291.db2.gz DAODUKYYFCHHEW-UHFFFAOYSA-N 1 0 400.501 -0.304 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000470592111 1069430531 /nfs/dbraw/zinc/43/05/31/1069430531.db2.gz YEEWBNGHFXWWRS-UHFFFAOYSA-N 1 0 401.533 -0.440 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000471155036 1068244768 /nfs/dbraw/zinc/24/47/68/1068244768.db2.gz ZUSMSOVEWMAHKH-HNNXBMFYSA-N 1 0 418.541 -0.864 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000471155037 1068244659 /nfs/dbraw/zinc/24/46/59/1068244659.db2.gz ZUSMSOVEWMAHKH-OAHLLOKOSA-N 1 0 418.541 -0.864 20 0 HBADRO Cn1ccnc1N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471157936 1068247095 /nfs/dbraw/zinc/24/70/95/1068247095.db2.gz WKJQSPBJXPZDJH-UHFFFAOYSA-N 1 0 420.539 -0.062 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000471183889 1068260282 /nfs/dbraw/zinc/26/02/82/1068260282.db2.gz VOHBZARNHPFSIR-UHFFFAOYSA-N 1 0 419.530 -0.387 20 0 HBADRO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471184039 1068259705 /nfs/dbraw/zinc/25/97/05/1068259705.db2.gz XGWGFKKVSHOCRW-UHFFFAOYSA-N 1 0 414.510 -0.117 20 0 HBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000471185168 1068260653 /nfs/dbraw/zinc/26/06/53/1068260653.db2.gz FUFFRIBNZAJRAO-UHFFFAOYSA-N 1 0 404.471 -0.239 20 0 HBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000471196410 1068263318 /nfs/dbraw/zinc/26/33/18/1068263318.db2.gz UTBZMJLXABZQKU-UHFFFAOYSA-N 1 0 408.503 -0.129 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN(C)CCC[NH+]2CCN(C)CC2)c(=O)n(C)c1=O ZINC000471201312 1068264767 /nfs/dbraw/zinc/26/47/67/1068264767.db2.gz CCGYXNKBRKBCJM-UHFFFAOYSA-N 1 0 408.547 -0.463 20 0 HBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000471202204 1068265425 /nfs/dbraw/zinc/26/54/25/1068265425.db2.gz KGZSHFMAOVPBQT-UHFFFAOYSA-N 1 0 408.503 -0.129 20 0 HBADRO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000471211942 1068268128 /nfs/dbraw/zinc/26/81/28/1068268128.db2.gz ITWPUOPZNIXITC-UHFFFAOYSA-N 1 0 422.507 -0.047 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)ccn2)CC1 ZINC000471216890 1068269342 /nfs/dbraw/zinc/26/93/42/1068269342.db2.gz SOYCFJPLAMBLED-UHFFFAOYSA-N 1 0 400.483 -0.286 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000471218338 1068269516 /nfs/dbraw/zinc/26/95/16/1068269516.db2.gz BPNZCJKGJBHMQB-UHFFFAOYSA-N 1 0 410.496 -0.144 20 0 HBADRO O=C(Cn1cnc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)n1)N1CCCCCC1 ZINC000471220669 1069579459 /nfs/dbraw/zinc/57/94/59/1069579459.db2.gz PCTMHKMLIXPIIB-UHFFFAOYSA-N 1 0 403.487 -0.074 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000471221938 1068271272 /nfs/dbraw/zinc/27/12/72/1068271272.db2.gz YUPUGVOPALYUGS-UHFFFAOYSA-N 1 0 402.451 -0.237 20 0 HBADRO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000471223181 1068272012 /nfs/dbraw/zinc/27/20/12/1068272012.db2.gz DEYYTJMTDZFEGG-UHFFFAOYSA-N 1 0 422.507 -0.047 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cn2)C[C@H](C)O1 ZINC000471224330 1068271974 /nfs/dbraw/zinc/27/19/74/1068271974.db2.gz YTWDAJQWHXVQLP-GASCZTMLSA-N 1 0 418.498 -0.236 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cn2)C[C@H](C)O1 ZINC000471224331 1068272090 /nfs/dbraw/zinc/27/20/90/1068272090.db2.gz YTWDAJQWHXVQLP-GJZGRUSLSA-N 1 0 418.498 -0.236 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cn2)C[C@@H](C)O1 ZINC000471224332 1068272255 /nfs/dbraw/zinc/27/22/55/1068272255.db2.gz YTWDAJQWHXVQLP-HUUCEWRRSA-N 1 0 418.498 -0.236 20 0 HBADRO C[N@H+](CCNC(=O)C1CCN(CC(=O)N2CCNC(=O)C2)CC1)Cc1ccccc1 ZINC000471233275 1068274457 /nfs/dbraw/zinc/27/44/57/1068274457.db2.gz CRNAWCOFBNCMIR-UHFFFAOYSA-N 1 0 415.538 -0.095 20 0 HBADRO CCc1nc(CN2CCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)no1 ZINC000471238310 1068278305 /nfs/dbraw/zinc/27/83/05/1068278305.db2.gz TVOBWUZNDPRFRR-UHFFFAOYSA-N 1 0 416.486 -0.413 20 0 HBADRO CNC(=O)NC(=O)CCN1CC[N@H+](CCC(=O)NC(=O)NC)CC12CCCCC2 ZINC000471280265 1068297942 /nfs/dbraw/zinc/29/79/42/1068297942.db2.gz RIZBSBKAHDQNDE-UHFFFAOYSA-N 1 0 410.519 -0.002 20 0 HBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000471328226 1068318784 /nfs/dbraw/zinc/31/87/84/1068318784.db2.gz NLMPSBWNMYQSDE-UHFFFAOYSA-N 1 0 403.526 -0.125 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000471331989 1068319918 /nfs/dbraw/zinc/31/99/18/1068319918.db2.gz XMPJDQUSDUJJOP-UHFFFAOYSA-N 1 0 407.489 -0.376 20 0 HBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000471390898 1068329247 /nfs/dbraw/zinc/32/92/47/1068329247.db2.gz HZQFEVOCZUVBBY-KRWDZBQOSA-N 1 0 408.503 -0.732 20 0 HBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000471390899 1068329167 /nfs/dbraw/zinc/32/91/67/1068329167.db2.gz HZQFEVOCZUVBBY-QGZVFWFLSA-N 1 0 408.503 -0.732 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000471547278 1068385392 /nfs/dbraw/zinc/38/53/92/1068385392.db2.gz HYQVLJFXGHUMAJ-HNNXBMFYSA-N 1 0 406.549 -0.427 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000471547280 1068385487 /nfs/dbraw/zinc/38/54/87/1068385487.db2.gz HYQVLJFXGHUMAJ-OAHLLOKOSA-N 1 0 406.549 -0.427 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000471552581 1068386938 /nfs/dbraw/zinc/38/69/38/1068386938.db2.gz UNGHPQIDJFUKDH-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000471552582 1068386830 /nfs/dbraw/zinc/38/68/30/1068386830.db2.gz UNGHPQIDJFUKDH-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000471568633 1068395793 /nfs/dbraw/zinc/39/57/93/1068395793.db2.gz BXTIAOCUZLHHBO-HNNXBMFYSA-N 1 0 405.499 -0.002 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000471568634 1068395771 /nfs/dbraw/zinc/39/57/71/1068395771.db2.gz BXTIAOCUZLHHBO-OAHLLOKOSA-N 1 0 405.499 -0.002 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000471571549 1068396440 /nfs/dbraw/zinc/39/64/40/1068396440.db2.gz SUNMCPFPEOREAX-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000471571550 1068396511 /nfs/dbraw/zinc/39/65/11/1068396511.db2.gz SUNMCPFPEOREAX-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000471579498 1068402125 /nfs/dbraw/zinc/40/21/25/1068402125.db2.gz ADRTUZMYVSDEHM-HNNXBMFYSA-N 1 0 420.514 -0.217 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000471579500 1068402259 /nfs/dbraw/zinc/40/22/59/1068402259.db2.gz ADRTUZMYVSDEHM-OAHLLOKOSA-N 1 0 420.514 -0.217 20 0 HBADRO COc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000471630295 1068445121 /nfs/dbraw/zinc/44/51/21/1068445121.db2.gz XXTGLIZTSHFRNK-KRWDZBQOSA-N 1 0 414.484 -0.394 20 0 HBADRO COc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000471630296 1068445049 /nfs/dbraw/zinc/44/50/49/1068445049.db2.gz XXTGLIZTSHFRNK-QGZVFWFLSA-N 1 0 414.484 -0.394 20 0 HBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000471635787 1068450716 /nfs/dbraw/zinc/45/07/16/1068450716.db2.gz PTEVEOUPOIZQJM-UHFFFAOYSA-N 1 0 400.501 -0.055 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471641922 1068471031 /nfs/dbraw/zinc/47/10/31/1068471031.db2.gz JEFQTLGGTURIJD-UHFFFAOYSA-N 1 0 403.505 -0.114 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(CC[NH+]4CCCC4)CC3)OCC(=O)N2C)cn1 ZINC000471646700 1068484246 /nfs/dbraw/zinc/48/42/46/1068484246.db2.gz WTSABAMOXNUZGY-RBUKOAKNSA-N 1 0 404.515 -0.442 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCOCC[NH+](C)C)CC2)cn1 ZINC000471651443 1068487800 /nfs/dbraw/zinc/48/78/00/1068487800.db2.gz DBDCDGGGJHPKDF-UHFFFAOYSA-N 1 0 402.521 -0.549 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000471659016 1068490179 /nfs/dbraw/zinc/49/01/79/1068490179.db2.gz OZILNETYUVIJSN-HOTGVXAUSA-N 1 0 421.564 -0.754 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000471659017 1068490057 /nfs/dbraw/zinc/49/00/57/1068490057.db2.gz OZILNETYUVIJSN-HZPDHXFCSA-N 1 0 421.564 -0.754 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000471659118 1068490802 /nfs/dbraw/zinc/49/08/02/1068490802.db2.gz OZILNETYUVIJSN-IYBDPMFKSA-N 1 0 421.564 -0.754 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)cn1C ZINC000471660480 1068492947 /nfs/dbraw/zinc/49/29/47/1068492947.db2.gz WKPVVZYPAUOYEN-UHFFFAOYSA-N 1 0 402.521 -0.677 20 0 HBADRO C[NH+](C)CCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000471664590 1068492963 /nfs/dbraw/zinc/49/29/63/1068492963.db2.gz NDGGMPJBABXIJA-UHFFFAOYSA-N 1 0 407.519 -0.277 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000471704504 1068521211 /nfs/dbraw/zinc/52/12/11/1068521211.db2.gz FNOQOHMFPDBARE-UHFFFAOYSA-N 1 0 424.571 -0.382 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000471713643 1068522781 /nfs/dbraw/zinc/52/27/81/1068522781.db2.gz NSMDNEGNSSIPRL-KRWDZBQOSA-N 1 0 418.416 -0.150 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000471713658 1068523003 /nfs/dbraw/zinc/52/30/03/1068523003.db2.gz NSMDNEGNSSIPRL-QGZVFWFLSA-N 1 0 418.416 -0.150 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCC(C[NH+]4CCOCC4)CC3)OCC(=O)N2C)cn1 ZINC000471743379 1068529957 /nfs/dbraw/zinc/52/99/57/1068529957.db2.gz DJDOBEADRFCWFL-RBUKOAKNSA-N 1 0 405.499 -0.111 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000471745153 1068529766 /nfs/dbraw/zinc/52/97/66/1068529766.db2.gz GROWPUGOCZHGFX-ZWKOTPCHSA-N 1 0 421.498 -0.290 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000471987601 1068605998 /nfs/dbraw/zinc/60/59/98/1068605998.db2.gz ANUKMUYNRAUBIP-BPQIPLTHSA-N 1 0 420.514 -0.623 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000471987602 1068606118 /nfs/dbraw/zinc/60/61/18/1068606118.db2.gz ANUKMUYNRAUBIP-RYQLBKOJSA-N 1 0 420.514 -0.623 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472016410 1068616473 /nfs/dbraw/zinc/61/64/73/1068616473.db2.gz DJDJVVQJGMAAKL-RBUKOAKNSA-N 1 0 420.514 -0.669 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)OCC(=O)N2C)cn1 ZINC000472018943 1068617123 /nfs/dbraw/zinc/61/71/23/1068617123.db2.gz UCTZKMQRPYYSBW-RBUKOAKNSA-N 1 0 418.498 -0.915 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)OCC(=O)N2C)cn1 ZINC000472028223 1068619221 /nfs/dbraw/zinc/61/92/21/1068619221.db2.gz UJZXEOQTFRDOTL-RRQGHBQHSA-N 1 0 406.487 -0.978 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)OCC(=O)N2C)cn1 ZINC000472028224 1068619130 /nfs/dbraw/zinc/61/91/30/1068619130.db2.gz UJZXEOQTFRDOTL-XOKHGSTOSA-N 1 0 406.487 -0.978 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)CC1 ZINC000472083567 1068634101 /nfs/dbraw/zinc/63/41/01/1068634101.db2.gz FBQHZIKXQIAAJE-NZSAHSFTSA-N 1 0 404.515 -0.443 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)CC1 ZINC000472083568 1068633934 /nfs/dbraw/zinc/63/39/34/1068633934.db2.gz FBQHZIKXQIAAJE-YTQUADARSA-N 1 0 404.515 -0.443 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472087117 1068635549 /nfs/dbraw/zinc/63/55/49/1068635549.db2.gz DWKBGLOBJHDROC-YSIASYRMSA-N 1 0 418.542 -0.053 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472087120 1068635387 /nfs/dbraw/zinc/63/53/87/1068635387.db2.gz DWKBGLOBJHDROC-YZGWKJHDSA-N 1 0 418.542 -0.053 20 0 HBADRO Cc1c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472087585 1068634803 /nfs/dbraw/zinc/63/48/03/1068634803.db2.gz IJEFFOTWTKQZPM-CYBMUJFWSA-N 1 0 402.499 -0.304 20 0 HBADRO Cc1c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472087586 1068634746 /nfs/dbraw/zinc/63/47/46/1068634746.db2.gz IJEFFOTWTKQZPM-ZDUSSCGKSA-N 1 0 402.499 -0.304 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000472089921 1068636105 /nfs/dbraw/zinc/63/61/05/1068636105.db2.gz XUINNGISOVYWGC-MOPGFXCFSA-N 1 0 409.575 -0.158 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000472089922 1068636062 /nfs/dbraw/zinc/63/60/62/1068636062.db2.gz XUINNGISOVYWGC-OALUTQOASA-N 1 0 409.575 -0.158 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000472089923 1068635996 /nfs/dbraw/zinc/63/59/96/1068635996.db2.gz XUINNGISOVYWGC-RBUKOAKNSA-N 1 0 409.575 -0.158 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000472089924 1068635983 /nfs/dbraw/zinc/63/59/83/1068635983.db2.gz XUINNGISOVYWGC-RTBURBONSA-N 1 0 409.575 -0.158 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)OCC(=O)N2C)cn1 ZINC000472090137 1068636097 /nfs/dbraw/zinc/63/60/97/1068636097.db2.gz YZUXYMUWOWDEHO-AYOQOUSVSA-N 1 0 405.499 -0.111 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)OCC(=O)N2C)cn1 ZINC000472090138 1068635966 /nfs/dbraw/zinc/63/59/66/1068635966.db2.gz YZUXYMUWOWDEHO-ZYSHUDEJSA-N 1 0 405.499 -0.111 20 0 HBADRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000472100584 1068640140 /nfs/dbraw/zinc/64/01/40/1068640140.db2.gz UEWGCCPNFFOVBL-AWEZNQCLSA-N 1 0 402.499 -0.304 20 0 HBADRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000472100585 1068640454 /nfs/dbraw/zinc/64/04/54/1068640454.db2.gz UEWGCCPNFFOVBL-CQSZACIVSA-N 1 0 402.499 -0.304 20 0 HBADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000472107006 1068641844 /nfs/dbraw/zinc/64/18/44/1068641844.db2.gz YBKHGCFQTHVUHH-CYBMUJFWSA-N 1 0 419.511 -0.146 20 0 HBADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000472107007 1068641799 /nfs/dbraw/zinc/64/17/99/1068641799.db2.gz YBKHGCFQTHVUHH-ZDUSSCGKSA-N 1 0 419.511 -0.146 20 0 HBADRO CCc1c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472109065 1068641820 /nfs/dbraw/zinc/64/18/20/1068641820.db2.gz VRANTLMBNDQGFC-AWEZNQCLSA-N 1 0 416.526 -0.050 20 0 HBADRO CCc1c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472109066 1068641724 /nfs/dbraw/zinc/64/17/24/1068641724.db2.gz VRANTLMBNDQGFC-CQSZACIVSA-N 1 0 416.526 -0.050 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146027 1068649384 /nfs/dbraw/zinc/64/93/84/1068649384.db2.gz PVKOYZDKLRUQRV-RBUKOAKNSA-N 1 0 406.531 -0.197 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472154113 1068651002 /nfs/dbraw/zinc/65/10/02/1068651002.db2.gz KJGMRWVDPJBIIW-RBUKOAKNSA-N 1 0 406.531 -0.292 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160222 1068653913 /nfs/dbraw/zinc/65/39/13/1068653913.db2.gz TZZGKQZSMXSPEO-AYOQOUSVSA-N 1 0 406.531 -0.292 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160226 1068653791 /nfs/dbraw/zinc/65/37/91/1068653791.db2.gz TZZGKQZSMXSPEO-ZYSHUDEJSA-N 1 0 406.531 -0.292 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160676 1068654629 /nfs/dbraw/zinc/65/46/29/1068654629.db2.gz UXRWBRXNWRZZEL-RBUKOAKNSA-N 1 0 406.531 -0.148 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000472171070 1068657429 /nfs/dbraw/zinc/65/74/29/1068657429.db2.gz JIHNTTXMSOPKQR-CYBMUJFWSA-N 1 0 416.500 -0.384 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000472171075 1068657766 /nfs/dbraw/zinc/65/77/66/1068657766.db2.gz JIHNTTXMSOPKQR-ZDUSSCGKSA-N 1 0 416.500 -0.384 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000472172314 1068658388 /nfs/dbraw/zinc/65/83/88/1068658388.db2.gz MORSAVKJSBAYKE-HNNXBMFYSA-N 1 0 401.533 -0.034 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000472172315 1068658319 /nfs/dbraw/zinc/65/83/19/1068658319.db2.gz MORSAVKJSBAYKE-OAHLLOKOSA-N 1 0 401.533 -0.034 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000472172701 1068659031 /nfs/dbraw/zinc/65/90/31/1068659031.db2.gz NROKXRYHJMVDKT-CYBMUJFWSA-N 1 0 415.516 -0.649 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000472172719 1068659203 /nfs/dbraw/zinc/65/92/03/1068659203.db2.gz NROKXRYHJMVDKT-ZDUSSCGKSA-N 1 0 415.516 -0.649 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000472173190 1068658398 /nfs/dbraw/zinc/65/83/98/1068658398.db2.gz MZEFSNBWFBKVCM-BRWVUGGUSA-N 1 0 415.556 -0.019 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000472173191 1068658336 /nfs/dbraw/zinc/65/83/36/1068658336.db2.gz MZEFSNBWFBKVCM-GVDBMIGSSA-N 1 0 415.556 -0.019 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000472173192 1068658259 /nfs/dbraw/zinc/65/82/59/1068658259.db2.gz MZEFSNBWFBKVCM-IXDOHACOSA-N 1 0 415.556 -0.019 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000472173194 1068658382 /nfs/dbraw/zinc/65/83/82/1068658382.db2.gz MZEFSNBWFBKVCM-YESZJQIVSA-N 1 0 415.556 -0.019 20 0 HBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000472211709 1068678117 /nfs/dbraw/zinc/67/81/17/1068678117.db2.gz GUDHOKVJEPCQEQ-IBGZPJMESA-N 1 0 404.471 -0.579 20 0 HBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000472211717 1068678132 /nfs/dbraw/zinc/67/81/32/1068678132.db2.gz GUDHOKVJEPCQEQ-LJQANCHMSA-N 1 0 404.471 -0.579 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239801 1068716508 /nfs/dbraw/zinc/71/65/08/1068716508.db2.gz IXGWZLPOPCLSEV-MOPGFXCFSA-N 1 0 412.600 -0.019 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239807 1068716287 /nfs/dbraw/zinc/71/62/87/1068716287.db2.gz IXGWZLPOPCLSEV-OALUTQOASA-N 1 0 412.600 -0.019 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239810 1068716416 /nfs/dbraw/zinc/71/64/16/1068716416.db2.gz IXGWZLPOPCLSEV-RBUKOAKNSA-N 1 0 412.600 -0.019 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239812 1068716492 /nfs/dbraw/zinc/71/64/92/1068716492.db2.gz IXGWZLPOPCLSEV-RTBURBONSA-N 1 0 412.600 -0.019 20 0 HBADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472257575 1068725415 /nfs/dbraw/zinc/72/54/15/1068725415.db2.gz IHUOOSMRLPTGSL-MDASCCDHSA-N 1 0 407.515 -0.130 20 0 HBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472257588 1068725451 /nfs/dbraw/zinc/72/54/51/1068725451.db2.gz IHUOOSMRLPTGSL-ZOCIIQOWSA-N 1 0 407.515 -0.130 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472258187 1068726136 /nfs/dbraw/zinc/72/61/36/1068726136.db2.gz JMDNBQGGOCMCMR-AWEZNQCLSA-N 1 0 400.487 -0.401 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472258191 1068726253 /nfs/dbraw/zinc/72/62/53/1068726253.db2.gz JMDNBQGGOCMCMR-CQSZACIVSA-N 1 0 400.487 -0.401 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000472351440 1068913029 /nfs/dbraw/zinc/91/30/29/1068913029.db2.gz SHWGRKMTTUKIEL-UHFFFAOYSA-N 1 0 423.499 -0.542 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472360329 1068916983 /nfs/dbraw/zinc/91/69/83/1068916983.db2.gz JQILHSZFVOAUCQ-BPQIPLTHSA-N 1 0 418.498 -0.917 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472360330 1068916898 /nfs/dbraw/zinc/91/68/98/1068916898.db2.gz JQILHSZFVOAUCQ-RYQLBKOJSA-N 1 0 418.498 -0.917 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cn1C ZINC000472406880 1068932831 /nfs/dbraw/zinc/93/28/31/1068932831.db2.gz KHLBIBGYWPSFHG-UHFFFAOYSA-N 1 0 401.533 -0.252 20 0 HBADRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000472407646 1068932592 /nfs/dbraw/zinc/93/25/92/1068932592.db2.gz JSAWZCIQFDKOCS-UHFFFAOYSA-N 1 0 403.483 -0.094 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000472420802 1068938795 /nfs/dbraw/zinc/93/87/95/1068938795.db2.gz FOATXMWIOWSPBO-UHFFFAOYSA-N 1 0 406.549 -0.828 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000472421815 1068939408 /nfs/dbraw/zinc/93/94/08/1068939408.db2.gz UZOLBIYPNSCPQZ-UHFFFAOYSA-N 1 0 402.517 -0.096 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000472425770 1068941855 /nfs/dbraw/zinc/94/18/55/1068941855.db2.gz ZMUROMPTGHVOBE-UHFFFAOYSA-N 1 0 406.487 -0.825 20 0 HBADRO C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000472430135 1068944643 /nfs/dbraw/zinc/94/46/43/1068944643.db2.gz IHOHWVZESTURIB-RYGJVYDSSA-N 1 0 418.542 -0.055 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000472430136 1068944731 /nfs/dbraw/zinc/94/47/31/1068944731.db2.gz IHOHWVZESTURIB-UIAACRFSSA-N 1 0 418.542 -0.055 20 0 HBADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000472444212 1068951595 /nfs/dbraw/zinc/95/15/95/1068951595.db2.gz PFQDTEHXDNTKQF-MRXNPFEDSA-N 1 0 404.581 -0.464 20 0 HBADRO Cn1cc(N2CC[NH+](CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cn1 ZINC000472448475 1068952060 /nfs/dbraw/zinc/95/20/60/1068952060.db2.gz FPORRDUHGMUWPX-UHFFFAOYSA-N 1 0 420.539 -0.062 20 0 HBADRO CNC(=O)CC1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000472482779 1068969873 /nfs/dbraw/zinc/96/98/73/1068969873.db2.gz YEJIUOYHTCYXLH-UHFFFAOYSA-N 1 0 414.514 -0.140 20 0 HBADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000472533599 1068992671 /nfs/dbraw/zinc/99/26/71/1068992671.db2.gz FPGRHZIEWRBILT-UHFFFAOYSA-N 1 0 416.482 -0.095 20 0 HBADRO COC(=O)C[C@](C)([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccn1 ZINC000472550364 1069000659 /nfs/dbraw/zinc/00/06/59/1069000659.db2.gz KMVGJNMCCAUBRP-IBGZPJMESA-N 1 0 400.439 -0.103 20 0 HBADRO COC(=O)C[C@@](C)([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccn1 ZINC000472550372 1069000801 /nfs/dbraw/zinc/00/08/01/1069000801.db2.gz KMVGJNMCCAUBRP-LJQANCHMSA-N 1 0 400.439 -0.103 20 0 HBADRO C[C@@H]1COCCN1CCN1CC[N@H+](CCN2CCOC[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000472562066 1069002675 /nfs/dbraw/zinc/00/26/75/1069002675.db2.gz GSRAKBBMNPPDII-VAMGGRTRSA-N 1 0 411.591 -0.498 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(N)=O ZINC000472567945 1069003022 /nfs/dbraw/zinc/00/30/22/1069003022.db2.gz UTVNNOULQZLEGU-GOSISDBHSA-N 1 0 412.512 -0.433 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(N)=O ZINC000472567949 1069003229 /nfs/dbraw/zinc/00/32/29/1069003229.db2.gz UTVNNOULQZLEGU-SFHVURJKSA-N 1 0 412.512 -0.433 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C(N)=O ZINC000472572664 1069003578 /nfs/dbraw/zinc/00/35/78/1069003578.db2.gz BVJFOFCCADVEFY-KRWDZBQOSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C(N)=O ZINC000472572665 1069003793 /nfs/dbraw/zinc/00/37/93/1069003793.db2.gz BVJFOFCCADVEFY-QGZVFWFLSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000472573619 1069004413 /nfs/dbraw/zinc/00/44/13/1069004413.db2.gz IATOVEQMJHYBEX-JXFKEZNVSA-N 1 0 404.467 -0.259 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000472573720 1069003720 /nfs/dbraw/zinc/00/37/20/1069003720.db2.gz IATOVEQMJHYBEX-OXJNMPFZSA-N 1 0 404.467 -0.259 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000472573721 1069003608 /nfs/dbraw/zinc/00/36/08/1069003608.db2.gz IATOVEQMJHYBEX-OXQOHEQNSA-N 1 0 404.467 -0.259 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000472573722 1069003472 /nfs/dbraw/zinc/00/34/72/1069003472.db2.gz IATOVEQMJHYBEX-UZLBHIALSA-N 1 0 404.467 -0.259 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@H](N2CCOCC2)C1 ZINC000472573828 1069003757 /nfs/dbraw/zinc/00/37/57/1069003757.db2.gz KDAOJJUSSQCPPI-FHLIZLRMSA-N 1 0 409.508 -0.005 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@H](N2CCOCC2)C1 ZINC000472573829 1069003550 /nfs/dbraw/zinc/00/35/50/1069003550.db2.gz KDAOJJUSSQCPPI-JCGIZDLHSA-N 1 0 409.508 -0.005 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@@H](N2CCOCC2)C1 ZINC000472573830 1069003503 /nfs/dbraw/zinc/00/35/03/1069003503.db2.gz KDAOJJUSSQCPPI-JLSDUUJJSA-N 1 0 409.508 -0.005 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@@H](N2CCOCC2)C1 ZINC000472573831 1069003844 /nfs/dbraw/zinc/00/38/44/1069003844.db2.gz KDAOJJUSSQCPPI-WBAXXEDZSA-N 1 0 409.508 -0.005 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(N)=O ZINC000472580141 1069008233 /nfs/dbraw/zinc/00/82/33/1069008233.db2.gz CGYFVTNVJLSCNA-IBGZPJMESA-N 1 0 424.523 -0.034 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(N)=O ZINC000472580143 1069008539 /nfs/dbraw/zinc/00/85/39/1069008539.db2.gz CGYFVTNVJLSCNA-LJQANCHMSA-N 1 0 424.523 -0.034 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(N)=O ZINC000472581937 1069008456 /nfs/dbraw/zinc/00/84/56/1069008456.db2.gz VSYHKSOGEILUEH-IBGZPJMESA-N 1 0 424.523 -0.034 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(N)=O ZINC000472581938 1069008217 /nfs/dbraw/zinc/00/82/17/1069008217.db2.gz VSYHKSOGEILUEH-LJQANCHMSA-N 1 0 424.523 -0.034 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(N)=O ZINC000472588067 1069009538 /nfs/dbraw/zinc/00/95/38/1069009538.db2.gz CGCAILBEGJAYRS-INIZCTEOSA-N 1 0 401.489 -0.632 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(N)=O ZINC000472588071 1069009652 /nfs/dbraw/zinc/00/96/52/1069009652.db2.gz CGCAILBEGJAYRS-MRXNPFEDSA-N 1 0 401.489 -0.632 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(N)=O ZINC000472588819 1069009609 /nfs/dbraw/zinc/00/96/09/1069009609.db2.gz GVDHUESGANENRB-KRWDZBQOSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(N)=O ZINC000472588821 1069009625 /nfs/dbraw/zinc/00/96/25/1069009625.db2.gz GVDHUESGANENRB-QGZVFWFLSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(N)=O ZINC000472592270 1069010573 /nfs/dbraw/zinc/01/05/73/1069010573.db2.gz YLLLSRJVLVEKKK-GOSISDBHSA-N 1 0 412.512 -0.228 20 0 HBADRO CC[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(N)=O ZINC000472592271 1069010800 /nfs/dbraw/zinc/01/08/00/1069010800.db2.gz YLLLSRJVLVEKKK-SFHVURJKSA-N 1 0 412.512 -0.228 20 0 HBADRO CNC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2[nH]1 ZINC000472602424 1069013060 /nfs/dbraw/zinc/01/30/60/1069013060.db2.gz VCTQJMKRISNRCZ-INIZCTEOSA-N 1 0 414.466 -0.078 20 0 HBADRO CNC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2[nH]1 ZINC000472602428 1069013324 /nfs/dbraw/zinc/01/33/24/1069013324.db2.gz VCTQJMKRISNRCZ-MRXNPFEDSA-N 1 0 414.466 -0.078 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000472661746 1069028006 /nfs/dbraw/zinc/02/80/06/1069028006.db2.gz UCDXNPUSNGTHBF-UHFFFAOYSA-N 1 0 416.461 -0.020 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000472670558 1069030290 /nfs/dbraw/zinc/03/02/90/1069030290.db2.gz LKLRFZODSNHTMU-UHFFFAOYSA-N 1 0 424.523 -0.560 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 ZINC000472727483 1069035120 /nfs/dbraw/zinc/03/51/20/1069035120.db2.gz RKUGBPKRAJOQNO-AEFFLSMTSA-N 1 0 414.466 -0.726 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000472727486 1069035045 /nfs/dbraw/zinc/03/50/45/1069035045.db2.gz RKUGBPKRAJOQNO-FUHWJXTLSA-N 1 0 414.466 -0.726 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cn1 ZINC000472727488 1069034989 /nfs/dbraw/zinc/03/49/89/1069034989.db2.gz RKUGBPKRAJOQNO-SJLPKXTDSA-N 1 0 414.466 -0.726 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000472727491 1069035027 /nfs/dbraw/zinc/03/50/27/1069035027.db2.gz RKUGBPKRAJOQNO-WMZOPIPTSA-N 1 0 414.466 -0.726 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000472739595 1069036556 /nfs/dbraw/zinc/03/65/56/1069036556.db2.gz VZCRFDBWYYIWLI-HNNXBMFYSA-N 1 0 413.544 -0.209 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000472739596 1069036494 /nfs/dbraw/zinc/03/64/94/1069036494.db2.gz VZCRFDBWYYIWLI-OAHLLOKOSA-N 1 0 413.544 -0.209 20 0 HBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000472743401 1069037386 /nfs/dbraw/zinc/03/73/86/1069037386.db2.gz BACOSAPNCCLCBP-INIZCTEOSA-N 1 0 418.585 -0.090 20 0 HBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000472743424 1069037358 /nfs/dbraw/zinc/03/73/58/1069037358.db2.gz BACOSAPNCCLCBP-MRXNPFEDSA-N 1 0 418.585 -0.090 20 0 HBADRO CC(C)[NH+]1CCN(CCCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000472750741 1069038616 /nfs/dbraw/zinc/03/86/16/1069038616.db2.gz KLIOPSDYRGENRE-UHFFFAOYSA-N 1 0 416.636 -0.488 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000472752337 1069039122 /nfs/dbraw/zinc/03/91/22/1069039122.db2.gz OXJXZJPIYIQVGE-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000472752346 1069039282 /nfs/dbraw/zinc/03/92/82/1069039282.db2.gz OXJXZJPIYIQVGE-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000472753138 1069039331 /nfs/dbraw/zinc/03/93/31/1069039331.db2.gz PYPUHRPOITUGIP-GFCCVEGCSA-N 1 0 410.500 -0.662 20 0 HBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000472753154 1069038994 /nfs/dbraw/zinc/03/89/94/1069038994.db2.gz PYPUHRPOITUGIP-LBPRGKRZSA-N 1 0 410.500 -0.662 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000472753261 1069039163 /nfs/dbraw/zinc/03/91/63/1069039163.db2.gz QAFNGQIZJUHTGX-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000472753262 1069039069 /nfs/dbraw/zinc/03/90/69/1069039069.db2.gz QAFNGQIZJUHTGX-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C2CC2)O1 ZINC000472836763 1069051650 /nfs/dbraw/zinc/05/16/50/1069051650.db2.gz ZXIKFMLJWUPZRD-BBRMVZONSA-N 1 0 406.487 -0.475 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C2CC2)O1 ZINC000472836765 1069051602 /nfs/dbraw/zinc/05/16/02/1069051602.db2.gz ZXIKFMLJWUPZRD-CJNGLKHVSA-N 1 0 406.487 -0.475 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C2CC2)O1 ZINC000472836766 1069051632 /nfs/dbraw/zinc/05/16/32/1069051632.db2.gz ZXIKFMLJWUPZRD-CZUORRHYSA-N 1 0 406.487 -0.475 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C2CC2)O1 ZINC000472836767 1069051661 /nfs/dbraw/zinc/05/16/61/1069051661.db2.gz ZXIKFMLJWUPZRD-XJKSGUPXSA-N 1 0 406.487 -0.475 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000472910398 1069063478 /nfs/dbraw/zinc/06/34/78/1069063478.db2.gz YUIATLWCFRDTGE-KRWDZBQOSA-N 1 0 408.547 -0.511 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000472910399 1069063430 /nfs/dbraw/zinc/06/34/30/1069063430.db2.gz YUIATLWCFRDTGE-QGZVFWFLSA-N 1 0 408.547 -0.511 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000472914993 1069064403 /nfs/dbraw/zinc/06/44/03/1069064403.db2.gz QIWULKRRSJWLSU-DLBZAZTESA-N 1 0 419.592 -0.200 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000472914994 1069064359 /nfs/dbraw/zinc/06/43/59/1069064359.db2.gz QIWULKRRSJWLSU-IAGOWNOFSA-N 1 0 419.592 -0.200 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000472914995 1069064319 /nfs/dbraw/zinc/06/43/19/1069064319.db2.gz QIWULKRRSJWLSU-IRXDYDNUSA-N 1 0 419.592 -0.200 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000472914996 1069064219 /nfs/dbraw/zinc/06/42/19/1069064219.db2.gz QIWULKRRSJWLSU-SJORKVTESA-N 1 0 419.592 -0.200 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000472920844 1069065047 /nfs/dbraw/zinc/06/50/47/1069065047.db2.gz DJXDDGSFJOGVAF-HNNXBMFYSA-N 1 0 407.606 -0.310 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000472920849 1069065073 /nfs/dbraw/zinc/06/50/73/1069065073.db2.gz DJXDDGSFJOGVAF-OAHLLOKOSA-N 1 0 407.606 -0.310 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000472923622 1069065731 /nfs/dbraw/zinc/06/57/31/1069065731.db2.gz JWUUVTAZQGAWBE-GOSISDBHSA-N 1 0 404.563 -0.076 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000472923635 1069065795 /nfs/dbraw/zinc/06/57/95/1069065795.db2.gz JWUUVTAZQGAWBE-SFHVURJKSA-N 1 0 404.563 -0.076 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC(C)(C)CCN3CC[NH+](C)CC3)cnc21 ZINC000472927795 1069065697 /nfs/dbraw/zinc/06/56/97/1069065697.db2.gz AECHQGLFXVBLJJ-UHFFFAOYSA-N 1 0 424.527 -0.272 20 0 HBADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000472937204 1069069132 /nfs/dbraw/zinc/06/91/32/1069069132.db2.gz GRHNYJCGVNWKKB-UHFFFAOYSA-N 1 0 409.512 -0.089 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000473037081 1069111281 /nfs/dbraw/zinc/11/12/81/1069111281.db2.gz OHAHOCDBYPQZNF-UHFFFAOYSA-N 1 0 403.531 -0.389 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000473040754 1069120442 /nfs/dbraw/zinc/12/04/42/1069120442.db2.gz FCUOKDXAYDTEJF-UHFFFAOYSA-N 1 0 424.590 -0.859 20 0 HBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473043227 1069123234 /nfs/dbraw/zinc/12/32/34/1069123234.db2.gz DIDLDPUCIGUEMQ-UHFFFAOYSA-N 1 0 419.526 -0.001 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000473044072 1069125264 /nfs/dbraw/zinc/12/52/64/1069125264.db2.gz GAKGEBXFTLWHTM-UHFFFAOYSA-N 1 0 405.499 -0.340 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000473046154 1069128283 /nfs/dbraw/zinc/12/82/83/1069128283.db2.gz IRNGOQNBEGNMEU-UHFFFAOYSA-N 1 0 421.527 -0.338 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000473046652 1069130572 /nfs/dbraw/zinc/13/05/72/1069130572.db2.gz LMEWHXDPKXPHLP-KRWDZBQOSA-N 1 0 403.483 -0.040 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000473046657 1069131269 /nfs/dbraw/zinc/13/12/69/1069131269.db2.gz LMEWHXDPKXPHLP-QGZVFWFLSA-N 1 0 403.483 -0.040 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000473050307 1069136980 /nfs/dbraw/zinc/13/69/80/1069136980.db2.gz MAOJAOPEOUTHBO-UHFFFAOYSA-N 1 0 403.527 -0.014 20 0 HBADRO CCOC(=O)c1nn(C)cc1C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000473116205 1069218217 /nfs/dbraw/zinc/21/82/17/1069218217.db2.gz BEUKZOUJNZDBOH-UHFFFAOYSA-N 1 0 415.516 -0.272 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000473169518 1069240291 /nfs/dbraw/zinc/24/02/91/1069240291.db2.gz CLYXVQBYHUOVPN-UHFFFAOYSA-N 1 0 404.581 -0.462 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000473175668 1069242463 /nfs/dbraw/zinc/24/24/63/1069242463.db2.gz USUQHOAZQUHHBW-IKGGRYGDSA-N 1 0 411.524 -0.356 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000473175669 1069242583 /nfs/dbraw/zinc/24/25/83/1069242583.db2.gz USUQHOAZQUHHBW-ULQDDVLXSA-N 1 0 411.524 -0.356 20 0 HBADRO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1S(N)(=O)=O ZINC000473194559 1069248954 /nfs/dbraw/zinc/24/89/54/1069248954.db2.gz QMPDAPKOPWBSJZ-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000473194823 1069250134 /nfs/dbraw/zinc/25/01/34/1069250134.db2.gz JWMDVJUOPJTDEI-UHFFFAOYSA-N 1 0 401.467 -0.053 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)S(C)(=O)=O ZINC000473199808 1069254990 /nfs/dbraw/zinc/25/49/90/1069254990.db2.gz VNTLESDUWPZPHI-UHFFFAOYSA-N 1 0 419.592 -0.741 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473203676 1069256685 /nfs/dbraw/zinc/25/66/85/1069256685.db2.gz ZZYMAAKANDSAHR-KRWDZBQOSA-N 1 0 403.531 -0.390 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473203684 1069256931 /nfs/dbraw/zinc/25/69/31/1069256931.db2.gz ZZYMAAKANDSAHR-QGZVFWFLSA-N 1 0 403.531 -0.390 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000473204184 1069256843 /nfs/dbraw/zinc/25/68/43/1069256843.db2.gz FTFHLOPSDIWQET-UHFFFAOYSA-N 1 0 404.450 -0.164 20 0 HBADRO CN1CCc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2C1=O ZINC000473216027 1069281213 /nfs/dbraw/zinc/28/12/13/1069281213.db2.gz VKJBASGIMDOVSL-HNNXBMFYSA-N 1 0 415.494 -0.043 20 0 HBADRO CN1CCc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2C1=O ZINC000473216028 1069281088 /nfs/dbraw/zinc/28/10/88/1069281088.db2.gz VKJBASGIMDOVSL-OAHLLOKOSA-N 1 0 415.494 -0.043 20 0 HBADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000473243023 1069298128 /nfs/dbraw/zinc/29/81/28/1069298128.db2.gz IGIBBBOAMWOSFC-GOSISDBHSA-N 1 0 412.512 -0.760 20 0 HBADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000473243024 1069298110 /nfs/dbraw/zinc/29/81/10/1069298110.db2.gz IGIBBBOAMWOSFC-SFHVURJKSA-N 1 0 412.512 -0.760 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000473243280 1069296683 /nfs/dbraw/zinc/29/66/83/1069296683.db2.gz NXVKBIFUXOMOIE-UHFFFAOYSA-N 1 0 423.539 -0.129 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cnc2n(C)c1=O ZINC000473245396 1069302303 /nfs/dbraw/zinc/30/23/03/1069302303.db2.gz UGGUCMOAWBHUSW-UHFFFAOYSA-N 1 0 416.482 -0.050 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)c2)CC1 ZINC000473260645 1069356607 /nfs/dbraw/zinc/35/66/07/1069356607.db2.gz WSBIBMMTSPQSPM-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)c2)CC1 ZINC000473263844 1069356142 /nfs/dbraw/zinc/35/61/42/1069356142.db2.gz WGCZLWUXWTVUEJ-UHFFFAOYSA-N 1 0 423.539 -0.081 20 0 HBADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000473265040 1069356032 /nfs/dbraw/zinc/35/60/32/1069356032.db2.gz PRALJDMIQNJONP-GOSISDBHSA-N 1 0 412.512 -0.760 20 0 HBADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000473265042 1069355990 /nfs/dbraw/zinc/35/59/90/1069355990.db2.gz PRALJDMIQNJONP-SFHVURJKSA-N 1 0 412.512 -0.760 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)CC1 ZINC000473267323 1069356513 /nfs/dbraw/zinc/35/65/13/1069356513.db2.gz BCRKPJKNNCMWID-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCOCC1 ZINC000473289795 1069358273 /nfs/dbraw/zinc/35/82/73/1069358273.db2.gz BNPLWJYQSCUBSO-UHFFFAOYSA-N 1 0 411.480 -0.075 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC000473294711 1069358769 /nfs/dbraw/zinc/35/87/69/1069358769.db2.gz VWIJVYABYUZAIS-UHFFFAOYSA-N 1 0 413.496 -0.305 20 0 HBADRO CN1CCOc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)cc21 ZINC000473333831 1069363829 /nfs/dbraw/zinc/36/38/29/1069363829.db2.gz QZFRUZHSKGADKV-UHFFFAOYSA-N 1 0 419.526 -0.040 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473339360 1069364562 /nfs/dbraw/zinc/36/45/62/1069364562.db2.gz IYKXEEUCJFQIRI-INIZCTEOSA-N 1 0 417.466 -0.096 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473339361 1069364381 /nfs/dbraw/zinc/36/43/81/1069364381.db2.gz IYKXEEUCJFQIRI-MRXNPFEDSA-N 1 0 417.466 -0.096 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000473340101 1069364685 /nfs/dbraw/zinc/36/46/85/1069364685.db2.gz PTSKBJHXRHJIOJ-HNNXBMFYSA-N 1 0 403.439 -0.486 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000473340102 1069364476 /nfs/dbraw/zinc/36/44/76/1069364476.db2.gz PTSKBJHXRHJIOJ-OAHLLOKOSA-N 1 0 403.439 -0.486 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1S(N)(=O)=O ZINC000473351008 1069367017 /nfs/dbraw/zinc/36/70/17/1069367017.db2.gz NMQDVAIEYZGSAZ-UHFFFAOYSA-N 1 0 412.512 -0.068 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000473355304 1069365763 /nfs/dbraw/zinc/36/57/63/1069365763.db2.gz IPYHKPDWGAAKOR-UHFFFAOYSA-N 1 0 412.512 -0.115 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c2ccccc2O1 ZINC000473355835 1069366463 /nfs/dbraw/zinc/36/64/63/1069366463.db2.gz KCAHQCPUGGLMJI-KRWDZBQOSA-N 1 0 418.494 -0.122 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c2ccccc2O1 ZINC000473355836 1069366572 /nfs/dbraw/zinc/36/65/72/1069366572.db2.gz KCAHQCPUGGLMJI-QGZVFWFLSA-N 1 0 418.494 -0.122 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1-n1cnnn1 ZINC000473356062 1069366388 /nfs/dbraw/zinc/36/63/88/1069366388.db2.gz LDZGUPMZNMCKTJ-UHFFFAOYSA-N 1 0 417.470 -0.039 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)CC1 ZINC000473372144 1069369574 /nfs/dbraw/zinc/36/95/74/1069369574.db2.gz MAQMGROHUZUSPU-UHFFFAOYSA-N 1 0 402.455 -0.565 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473373778 1069369742 /nfs/dbraw/zinc/36/97/42/1069369742.db2.gz ONJGAVURUAGULK-UHFFFAOYSA-N 1 0 405.455 -0.287 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000473377792 1069370204 /nfs/dbraw/zinc/37/02/04/1069370204.db2.gz UFDJHNCEQNOKOX-INIZCTEOSA-N 1 0 423.539 -0.083 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000473377793 1069370920 /nfs/dbraw/zinc/37/09/20/1069370920.db2.gz UFDJHNCEQNOKOX-MRXNPFEDSA-N 1 0 423.539 -0.083 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C(=O)NC)C3)c2)CC1 ZINC000473401253 1069375405 /nfs/dbraw/zinc/37/54/05/1069375405.db2.gz AWVJETOMJHFREE-KRWDZBQOSA-N 1 0 403.483 -0.260 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)NC)C3)c2)CC1 ZINC000473401254 1069375291 /nfs/dbraw/zinc/37/52/91/1069375291.db2.gz AWVJETOMJHFREE-QGZVFWFLSA-N 1 0 403.483 -0.260 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)CC1 ZINC000473405221 1069374739 /nfs/dbraw/zinc/37/47/39/1069374739.db2.gz KKJCUARDCKHTIK-UHFFFAOYSA-N 1 0 403.483 -0.570 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)c2)CC1 ZINC000473409887 1069376073 /nfs/dbraw/zinc/37/60/73/1069376073.db2.gz LRPAGRFVFLBURR-PBHICJAKSA-N 1 0 403.483 -0.132 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)c2)CC1 ZINC000473409888 1069376192 /nfs/dbraw/zinc/37/61/92/1069376192.db2.gz LRPAGRFVFLBURR-RHSMWYFYSA-N 1 0 403.483 -0.132 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000473413280 1069376899 /nfs/dbraw/zinc/37/68/99/1069376899.db2.gz PVIXYFXMVGZCLH-INIZCTEOSA-N 1 0 417.510 -0.181 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)c2)CC1 ZINC000473413282 1069376620 /nfs/dbraw/zinc/37/66/20/1069376620.db2.gz PVIXYFXMVGZCLH-MRXNPFEDSA-N 1 0 417.510 -0.181 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000473413624 1069376866 /nfs/dbraw/zinc/37/68/66/1069376866.db2.gz QSLGLASIQSMXPT-DLBZAZTESA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000473413626 1069376683 /nfs/dbraw/zinc/37/66/83/1069376683.db2.gz QSLGLASIQSMXPT-IAGOWNOFSA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000473413629 1069376923 /nfs/dbraw/zinc/37/69/23/1069376923.db2.gz QSLGLASIQSMXPT-IRXDYDNUSA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000473413630 1069376946 /nfs/dbraw/zinc/37/69/46/1069376946.db2.gz QSLGLASIQSMXPT-SJORKVTESA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c2)CC1 ZINC000473420345 1069378531 /nfs/dbraw/zinc/37/85/31/1069378531.db2.gz MDFCJMDMJYVLEU-UHFFFAOYSA-N 1 0 403.483 -0.258 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)c2)CC1 ZINC000473423512 1069377393 /nfs/dbraw/zinc/37/73/93/1069377393.db2.gz YRVMUPBJBHQJGZ-KRWDZBQOSA-N 1 0 424.523 -0.303 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)c2)CC1 ZINC000473423553 1069377830 /nfs/dbraw/zinc/37/78/30/1069377830.db2.gz YRVMUPBJBHQJGZ-QGZVFWFLSA-N 1 0 424.523 -0.303 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)CC1 ZINC000473424330 1069378016 /nfs/dbraw/zinc/37/80/16/1069378016.db2.gz YUHUWAZEANPOMB-UHFFFAOYSA-N 1 0 402.499 -0.685 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000473472818 1069406926 /nfs/dbraw/zinc/40/69/26/1069406926.db2.gz RFZDVHOPCSSPFI-CYBMUJFWSA-N 1 0 401.467 -0.007 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000473472820 1069406904 /nfs/dbraw/zinc/40/69/04/1069406904.db2.gz RFZDVHOPCSSPFI-ZDUSSCGKSA-N 1 0 401.467 -0.007 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000473481093 1069425284 /nfs/dbraw/zinc/42/52/84/1069425284.db2.gz MVXKWLQAHXOWJS-CYBMUJFWSA-N 1 0 404.450 -0.118 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000473481094 1069425365 /nfs/dbraw/zinc/42/53/65/1069425365.db2.gz MVXKWLQAHXOWJS-ZDUSSCGKSA-N 1 0 404.450 -0.118 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000473481685 1069424570 /nfs/dbraw/zinc/42/45/70/1069424570.db2.gz VPSRSGYHSMPLBK-HNNXBMFYSA-N 1 0 415.498 -0.348 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000473481692 1069425384 /nfs/dbraw/zinc/42/53/84/1069425384.db2.gz VPSRSGYHSMPLBK-OAHLLOKOSA-N 1 0 415.498 -0.348 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000473483511 1069428285 /nfs/dbraw/zinc/42/82/85/1069428285.db2.gz OFJWUJFWJLHRPR-AWEZNQCLSA-N 1 0 402.499 -0.042 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000473483512 1069428451 /nfs/dbraw/zinc/42/84/51/1069428451.db2.gz OFJWUJFWJLHRPR-CQSZACIVSA-N 1 0 402.499 -0.042 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000473488231 1069444090 /nfs/dbraw/zinc/44/40/90/1069444090.db2.gz NRGXVAVDYKTNQX-CRAIPNDOSA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000473488233 1069444057 /nfs/dbraw/zinc/44/40/57/1069444057.db2.gz NRGXVAVDYKTNQX-MAUKXSAKSA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000473488235 1069444132 /nfs/dbraw/zinc/44/41/32/1069444132.db2.gz NRGXVAVDYKTNQX-QAPCUYQASA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000473488236 1069444618 /nfs/dbraw/zinc/44/46/18/1069444618.db2.gz NRGXVAVDYKTNQX-YJBOKZPZSA-N 1 0 417.510 -0.331 20 0 HBADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000473490379 1069453093 /nfs/dbraw/zinc/45/30/93/1069453093.db2.gz OMWPOVZXHPOSQG-AWEZNQCLSA-N 1 0 416.486 -0.248 20 0 HBADRO COc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000473490380 1069453185 /nfs/dbraw/zinc/45/31/85/1069453185.db2.gz OMWPOVZXHPOSQG-CQSZACIVSA-N 1 0 416.486 -0.248 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000473519323 1069487559 /nfs/dbraw/zinc/48/75/59/1069487559.db2.gz BFHUIAALKZVCRE-INIZCTEOSA-N 1 0 418.560 -0.705 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000473519327 1069487510 /nfs/dbraw/zinc/48/75/10/1069487510.db2.gz BFHUIAALKZVCRE-MRXNPFEDSA-N 1 0 418.560 -0.705 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC000473532950 1069535819 /nfs/dbraw/zinc/53/58/19/1069535819.db2.gz NQYYMDSIOGQUEP-UHFFFAOYSA-N 1 0 404.577 -0.087 20 0 HBADRO CC(C)[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473578166 1070050910 /nfs/dbraw/zinc/05/09/10/1070050910.db2.gz QPIJRJWVNYWYNF-CRAIPNDOSA-N 1 0 403.531 -0.287 20 0 HBADRO CC(C)[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473578182 1070051437 /nfs/dbraw/zinc/05/14/37/1070051437.db2.gz QPIJRJWVNYWYNF-MAUKXSAKSA-N 1 0 403.531 -0.287 20 0 HBADRO CC(C)[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473578183 1070051259 /nfs/dbraw/zinc/05/12/59/1070051259.db2.gz QPIJRJWVNYWYNF-QAPCUYQASA-N 1 0 403.531 -0.287 20 0 HBADRO CC(C)[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473578265 1070046666 /nfs/dbraw/zinc/04/66/66/1070046666.db2.gz QPIJRJWVNYWYNF-YJBOKZPZSA-N 1 0 403.531 -0.287 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cc2)CC1 ZINC000473610976 1070339269 /nfs/dbraw/zinc/33/92/69/1070339269.db2.gz UZUQSBARQWLSBA-UHFFFAOYSA-N 1 0 413.482 -0.115 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000473654590 1070381415 /nfs/dbraw/zinc/38/14/15/1070381415.db2.gz QVXRQGBAIWSVSE-HNNXBMFYSA-N 1 0 404.533 -0.952 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000473654591 1070381769 /nfs/dbraw/zinc/38/17/69/1070381769.db2.gz QVXRQGBAIWSVSE-OAHLLOKOSA-N 1 0 404.533 -0.952 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000473670820 1070387822 /nfs/dbraw/zinc/38/78/22/1070387822.db2.gz NZHXEJGSYVRARE-CYBMUJFWSA-N 1 0 403.487 -0.220 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000473670825 1070387925 /nfs/dbraw/zinc/38/79/25/1070387925.db2.gz NZHXEJGSYVRARE-ZDUSSCGKSA-N 1 0 403.487 -0.220 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000473708668 1070393422 /nfs/dbraw/zinc/39/34/22/1070393422.db2.gz DRQOXCGRGMUFBJ-INIZCTEOSA-N 1 0 407.519 -0.111 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000473708669 1070393565 /nfs/dbraw/zinc/39/35/65/1070393565.db2.gz DRQOXCGRGMUFBJ-MRXNPFEDSA-N 1 0 407.519 -0.111 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000473712309 1070394071 /nfs/dbraw/zinc/39/40/71/1070394071.db2.gz FDAVJUJOLLDGTG-INIZCTEOSA-N 1 0 407.519 -0.111 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000473712316 1070393912 /nfs/dbraw/zinc/39/39/12/1070393912.db2.gz FDAVJUJOLLDGTG-MRXNPFEDSA-N 1 0 407.519 -0.111 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000473726373 1070395104 /nfs/dbraw/zinc/39/51/04/1070395104.db2.gz SSWWQYLCRYWMOA-UHFFFAOYSA-N 1 0 411.528 -0.042 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000473729071 1070395139 /nfs/dbraw/zinc/39/51/39/1070395139.db2.gz PTFRKTNXRGEUDP-UHFFFAOYSA-N 1 0 409.512 -0.288 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000473750153 1070398429 /nfs/dbraw/zinc/39/84/29/1070398429.db2.gz NBVGZDIWPJSITF-UHFFFAOYSA-N 1 0 403.505 -0.372 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000473823998 1070411593 /nfs/dbraw/zinc/41/15/93/1070411593.db2.gz NMYZDQFWRNLRKK-UHFFFAOYSA-N 1 0 421.502 -0.630 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000473922132 1070619645 /nfs/dbraw/zinc/61/96/45/1070619645.db2.gz SZLINPQDSCOHGD-UHFFFAOYSA-N 1 0 414.528 -0.297 20 0 HBADRO Cn1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1C(=O)NCC(F)(F)F ZINC000473939400 1070624533 /nfs/dbraw/zinc/62/45/33/1070624533.db2.gz IJLRYLDPLAMQHA-UHFFFAOYSA-N 1 0 411.450 -0.157 20 0 HBADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)s1 ZINC000473939494 1070624466 /nfs/dbraw/zinc/62/44/66/1070624466.db2.gz IXIFDDMLYUAMHG-UHFFFAOYSA-N 1 0 424.614 -0.244 20 0 HBADRO COC(=O)c1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C(=O)OC)s1 ZINC000473940100 1070624479 /nfs/dbraw/zinc/62/44/79/1070624479.db2.gz KRNSSHICDHFUBU-UHFFFAOYSA-N 1 0 405.498 -0.153 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 ZINC000473942921 1070628580 /nfs/dbraw/zinc/62/85/80/1070628580.db2.gz YTABITHJMPVEOE-UHFFFAOYSA-N 1 0 416.569 -0.003 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000473949745 1070629364 /nfs/dbraw/zinc/62/93/64/1070629364.db2.gz NPRFKHHFFNWVQE-UHFFFAOYSA-N 1 0 416.569 -0.003 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000473953823 1070630533 /nfs/dbraw/zinc/63/05/33/1070630533.db2.gz VTUBUHWNMRGWCN-UHFFFAOYSA-N 1 0 402.542 -0.248 20 0 HBADRO CN(CCS(=O)(=O)NCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000473953938 1070630225 /nfs/dbraw/zinc/63/02/25/1070630225.db2.gz WJGAMTPFJHNANU-UHFFFAOYSA-N 1 0 422.548 -0.387 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000473955533 1070634742 /nfs/dbraw/zinc/63/47/42/1070634742.db2.gz FVHVQVIUKMWLLE-UHFFFAOYSA-N 1 0 402.542 -0.347 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000473960471 1070635516 /nfs/dbraw/zinc/63/55/16/1070635516.db2.gz SXKLCRQHOBLORK-UHFFFAOYSA-N 1 0 403.549 -0.489 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000473962344 1070636498 /nfs/dbraw/zinc/63/64/98/1070636498.db2.gz UXLOCGCWXBJUCW-UHFFFAOYSA-N 1 0 408.590 -0.101 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473966791 1070635410 /nfs/dbraw/zinc/63/54/10/1070635410.db2.gz PLQRCKKVXIBMTQ-UHFFFAOYSA-N 1 0 410.563 -0.265 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474015553 1070717070 /nfs/dbraw/zinc/71/70/70/1070717070.db2.gz YLUBOFRKCOKDIT-KRWDZBQOSA-N 1 0 410.563 -0.265 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474015554 1070717161 /nfs/dbraw/zinc/71/71/61/1070717161.db2.gz YLUBOFRKCOKDIT-QGZVFWFLSA-N 1 0 410.563 -0.265 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000474015886 1070716475 /nfs/dbraw/zinc/71/64/75/1070716475.db2.gz ZXXGZTWUJZSRGJ-UHFFFAOYSA-N 1 0 420.514 -0.241 20 0 HBADRO C[C@@H](CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCN(C)CC1 ZINC000474020642 1070742908 /nfs/dbraw/zinc/74/29/08/1070742908.db2.gz FVGMLQKXBKOTLG-INIZCTEOSA-N 1 0 407.519 -0.253 20 0 HBADRO C[C@H](CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCN(C)CC1 ZINC000474020643 1070743014 /nfs/dbraw/zinc/74/30/14/1070743014.db2.gz FVGMLQKXBKOTLG-MRXNPFEDSA-N 1 0 407.519 -0.253 20 0 HBADRO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000474027927 1070795970 /nfs/dbraw/zinc/79/59/70/1070795970.db2.gz ASBGLGWRKKMXSG-UHFFFAOYSA-N 1 0 403.549 -0.237 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000474032850 1070898055 /nfs/dbraw/zinc/89/80/55/1070898055.db2.gz KPUGHLNXVLQCLH-UHFFFAOYSA-N 1 0 416.548 -0.191 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000474039511 1070974033 /nfs/dbraw/zinc/97/40/33/1070974033.db2.gz DNJWOARSMLJFHQ-UHFFFAOYSA-N 1 0 410.563 -0.218 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(CCO)CC1 ZINC000474085624 1071078897 /nfs/dbraw/zinc/07/88/97/1071078897.db2.gz XJRZKBMLQXUDLT-UHFFFAOYSA-N 1 0 412.556 -0.025 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000474092569 1071081727 /nfs/dbraw/zinc/08/17/27/1071081727.db2.gz BOUFCKBCPKKSLQ-INIZCTEOSA-N 1 0 412.512 -0.449 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000474092570 1071081753 /nfs/dbraw/zinc/08/17/53/1071081753.db2.gz BOUFCKBCPKKSLQ-MRXNPFEDSA-N 1 0 412.512 -0.449 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCNS(C)(=O)=O ZINC000474093160 1071081461 /nfs/dbraw/zinc/08/14/61/1071081461.db2.gz CRLATBHPTIXBJJ-UHFFFAOYSA-N 1 0 420.557 -0.496 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000474094809 1071082774 /nfs/dbraw/zinc/08/27/74/1071082774.db2.gz GGUAOVLQXDPCQH-UHFFFAOYSA-N 1 0 409.472 -0.884 20 0 HBADRO COc1ccccc1C(=O)NCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000474098259 1071084577 /nfs/dbraw/zinc/08/45/77/1071084577.db2.gz NLYHLOFGJGCVLC-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000474195151 1071111799 /nfs/dbraw/zinc/11/17/99/1071111799.db2.gz GDOWWTXWQKTUHP-CYBMUJFWSA-N 1 0 406.487 -0.873 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000474195154 1071111886 /nfs/dbraw/zinc/11/18/86/1071111886.db2.gz GDOWWTXWQKTUHP-ZDUSSCGKSA-N 1 0 406.487 -0.873 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000474215399 1071114926 /nfs/dbraw/zinc/11/49/26/1071114926.db2.gz UYNUJECUXNDHEL-ILXRZTDVSA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000474215401 1071114892 /nfs/dbraw/zinc/11/48/92/1071114892.db2.gz UYNUJECUXNDHEL-KFWWJZLASA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000474215404 1071115097 /nfs/dbraw/zinc/11/50/97/1071115097.db2.gz UYNUJECUXNDHEL-QLFBSQMISA-N 1 0 401.529 -0.674 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000474215406 1071114946 /nfs/dbraw/zinc/11/49/46/1071114946.db2.gz UYNUJECUXNDHEL-RBSFLKMASA-N 1 0 401.529 -0.674 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cn1C ZINC000474220153 1071115960 /nfs/dbraw/zinc/11/59/60/1071115960.db2.gz TXFLVZNNICVTQI-CYBMUJFWSA-N 1 0 401.533 -0.299 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cn1C ZINC000474220154 1071115949 /nfs/dbraw/zinc/11/59/49/1071115949.db2.gz TXFLVZNNICVTQI-ZDUSSCGKSA-N 1 0 401.533 -0.299 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000474224406 1071115971 /nfs/dbraw/zinc/11/59/71/1071115971.db2.gz CSYQDAIHNKFNGL-AWEZNQCLSA-N 1 0 414.528 -0.047 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000474224407 1071115919 /nfs/dbraw/zinc/11/59/19/1071115919.db2.gz CSYQDAIHNKFNGL-CQSZACIVSA-N 1 0 414.528 -0.047 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000474247372 1071116583 /nfs/dbraw/zinc/11/65/83/1071116583.db2.gz IZNFVLXLZZYXOI-HNNXBMFYSA-N 1 0 409.512 -0.290 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000474247376 1071116660 /nfs/dbraw/zinc/11/66/60/1071116660.db2.gz IZNFVLXLZZYXOI-OAHLLOKOSA-N 1 0 409.512 -0.290 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000474302519 1071120566 /nfs/dbraw/zinc/12/05/66/1071120566.db2.gz HVXOTUGKPBLESQ-UHFFFAOYSA-N 1 0 414.528 -0.283 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3CCCOCC3)CC2)cn1C ZINC000474310106 1071121336 /nfs/dbraw/zinc/12/13/36/1071121336.db2.gz KHDAAIHEDILHLN-UHFFFAOYSA-N 1 0 413.544 -0.032 20 0 HBADRO O=C(NCC[N@H+]1CC=CCC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000474371505 1071124118 /nfs/dbraw/zinc/12/41/18/1071124118.db2.gz XJMOCMVGUXLEPP-UHFFFAOYSA-N 1 0 401.533 -0.411 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000474414491 1071127268 /nfs/dbraw/zinc/12/72/68/1071127268.db2.gz PXMUZXSHGQVLPY-FQEVSTJZSA-N 1 0 421.542 -0.158 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000474414492 1071127153 /nfs/dbraw/zinc/12/71/53/1071127153.db2.gz PXMUZXSHGQVLPY-HXUWFJFHSA-N 1 0 421.542 -0.158 20 0 HBADRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000474454429 1071128822 /nfs/dbraw/zinc/12/88/22/1071128822.db2.gz ITLNZNBJNGKSST-UHFFFAOYSA-N 1 0 401.467 -0.123 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[NH+](C4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000474460818 1071128218 /nfs/dbraw/zinc/12/82/18/1071128218.db2.gz UBWCTNAPJANXSG-UHFFFAOYSA-N 1 0 404.471 -0.853 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000474503893 1071132152 /nfs/dbraw/zinc/13/21/52/1071132152.db2.gz YQGSTZGHDGZPHP-AWEZNQCLSA-N 1 0 418.541 -0.429 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000474503894 1071132161 /nfs/dbraw/zinc/13/21/61/1071132161.db2.gz YQGSTZGHDGZPHP-CQSZACIVSA-N 1 0 418.541 -0.429 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000474535263 1071134896 /nfs/dbraw/zinc/13/48/96/1071134896.db2.gz AKJYZPQRJFNZEM-UHFFFAOYSA-N 1 0 412.512 -0.760 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1)N1CCOCC1 ZINC000474564056 1071136313 /nfs/dbraw/zinc/13/63/13/1071136313.db2.gz CVSBHGZKFNWLIB-INIZCTEOSA-N 1 0 402.455 -0.847 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1)N1CCOCC1 ZINC000474564057 1071136583 /nfs/dbraw/zinc/13/65/83/1071136583.db2.gz CVSBHGZKFNWLIB-MRXNPFEDSA-N 1 0 402.455 -0.847 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000474568446 1071138141 /nfs/dbraw/zinc/13/81/41/1071138141.db2.gz PXLPPVVCKQJSJL-INIZCTEOSA-N 1 0 420.514 -0.081 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000474568447 1071138053 /nfs/dbraw/zinc/13/80/53/1071138053.db2.gz PXLPPVVCKQJSJL-MRXNPFEDSA-N 1 0 420.514 -0.081 20 0 HBADRO CNC(=O)CN1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000474573106 1071137291 /nfs/dbraw/zinc/13/72/91/1071137291.db2.gz HUCOSHCBTBRFEA-UHFFFAOYSA-N 1 0 400.549 -0.450 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000474573458 1071137253 /nfs/dbraw/zinc/13/72/53/1071137253.db2.gz GSLUVOZDAPEJLW-UHFFFAOYSA-N 1 0 412.560 -0.354 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@@H](C)O1 ZINC000474574964 1071137088 /nfs/dbraw/zinc/13/70/88/1071137088.db2.gz DGYWIVQPTCTYIF-KFWWJZLASA-N 1 0 418.498 -0.190 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@H](C)O1 ZINC000474574965 1071137260 /nfs/dbraw/zinc/13/72/60/1071137260.db2.gz DGYWIVQPTCTYIF-QLFBSQMISA-N 1 0 418.498 -0.190 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@@H](C)O1 ZINC000474574966 1071137334 /nfs/dbraw/zinc/13/73/34/1071137334.db2.gz DGYWIVQPTCTYIF-RBSFLKMASA-N 1 0 418.498 -0.190 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)C[C@H](C)O1 ZINC000474574967 1071137167 /nfs/dbraw/zinc/13/71/67/1071137167.db2.gz DGYWIVQPTCTYIF-ZNMIVQPWSA-N 1 0 418.498 -0.190 20 0 HBADRO COC(=O)c1cn(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000474576170 1071138228 /nfs/dbraw/zinc/13/82/28/1071138228.db2.gz HEKKFDZIDSXSRC-UHFFFAOYSA-N 1 0 402.459 -0.427 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000474577243 1071139785 /nfs/dbraw/zinc/13/97/85/1071139785.db2.gz QAAVBHLRUCFOFM-UHFFFAOYSA-N 1 0 415.560 -0.039 20 0 HBADRO CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000474577740 1071138177 /nfs/dbraw/zinc/13/81/77/1071138177.db2.gz REZWCWOIMMSQAK-UHFFFAOYSA-N 1 0 414.576 -0.106 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000474578029 1071139908 /nfs/dbraw/zinc/13/99/08/1071139908.db2.gz KJLWTKCMPIQFRI-INIZCTEOSA-N 1 0 418.498 -0.375 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000474578030 1071139924 /nfs/dbraw/zinc/13/99/24/1071139924.db2.gz KJLWTKCMPIQFRI-MRXNPFEDSA-N 1 0 418.498 -0.375 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000474580154 1071138852 /nfs/dbraw/zinc/13/88/52/1071138852.db2.gz SQBYEMCOPKHMQM-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000474583111 1071139773 /nfs/dbraw/zinc/13/97/73/1071139773.db2.gz HHNSEKTVRBYWMZ-HNNXBMFYSA-N 1 0 406.487 -0.472 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000474583112 1071139630 /nfs/dbraw/zinc/13/96/30/1071139630.db2.gz HHNSEKTVRBYWMZ-OAHLLOKOSA-N 1 0 406.487 -0.472 20 0 HBADRO CCN1CCN(C(=O)CC2CCN(C(=O)Cn3cc(C(=O)OC)nn3)CC2)CC1 ZINC000474584345 1071139842 /nfs/dbraw/zinc/13/98/42/1071139842.db2.gz JPCCKJLDBPFUPN-UHFFFAOYSA-N 1 0 406.487 -0.143 20 0 HBADRO CC(=O)N1CCN(CCNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000474593084 1071142271 /nfs/dbraw/zinc/14/22/71/1071142271.db2.gz JBGLMZJSIYPUFF-UHFFFAOYSA-N 1 0 400.549 -0.496 20 0 HBADRO COc1ncc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1C(N)=O ZINC000474601465 1071143182 /nfs/dbraw/zinc/14/31/82/1071143182.db2.gz RBTFUYUEBLFMND-UHFFFAOYSA-N 1 0 404.431 -0.293 20 0 HBADRO COC(=O)c1cn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nn1 ZINC000474679344 1071150100 /nfs/dbraw/zinc/15/01/00/1071150100.db2.gz DPYJXJUTIFZCFI-UHFFFAOYSA-N 1 0 406.487 -0.095 20 0 HBADRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000474699467 1071151786 /nfs/dbraw/zinc/15/17/86/1071151786.db2.gz XMRZYUDYQPRQMQ-UHFFFAOYSA-N 1 0 414.506 -0.036 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000474757630 1071155635 /nfs/dbraw/zinc/15/56/35/1071155635.db2.gz PCGKXZFOASFXNJ-UHFFFAOYSA-N 1 0 400.505 -0.246 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000474784077 1071156150 /nfs/dbraw/zinc/15/61/50/1071156150.db2.gz NYQOQCVOIWEZPJ-LLVKDONJSA-N 1 0 402.293 -0.146 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000474784078 1071156364 /nfs/dbraw/zinc/15/63/64/1071156364.db2.gz NYQOQCVOIWEZPJ-NSHDSACASA-N 1 0 402.293 -0.146 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000474788395 1071157003 /nfs/dbraw/zinc/15/70/03/1071157003.db2.gz FOOGUVJEFNBHMQ-AWEZNQCLSA-N 1 0 401.533 -0.305 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000474788396 1071156865 /nfs/dbraw/zinc/15/68/65/1071156865.db2.gz FOOGUVJEFNBHMQ-CQSZACIVSA-N 1 0 401.533 -0.305 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000474788618 1071157113 /nfs/dbraw/zinc/15/71/13/1071157113.db2.gz AVHOFXNAOUGHSP-DZGCQCFKSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000474788621 1071156913 /nfs/dbraw/zinc/15/69/13/1071156913.db2.gz AVHOFXNAOUGHSP-HIFRSBDPSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000474788623 1071157221 /nfs/dbraw/zinc/15/72/21/1071157221.db2.gz AVHOFXNAOUGHSP-UKRRQHHQSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000474788625 1071157061 /nfs/dbraw/zinc/15/70/61/1071157061.db2.gz AVHOFXNAOUGHSP-ZFWWWQNUSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474792977 1071157034 /nfs/dbraw/zinc/15/70/34/1071157034.db2.gz XMTFFPUTPOWUGM-AWEZNQCLSA-N 1 0 400.549 -0.461 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474792978 1071157102 /nfs/dbraw/zinc/15/71/02/1071157102.db2.gz XMTFFPUTPOWUGM-CQSZACIVSA-N 1 0 400.549 -0.461 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000474800098 1071156955 /nfs/dbraw/zinc/15/69/55/1071156955.db2.gz FZFZKQJEEWQNJG-UHFFFAOYSA-N 1 0 404.515 -0.429 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474804629 1071157803 /nfs/dbraw/zinc/15/78/03/1071157803.db2.gz PQERMEHSHDGWBJ-UHFFFAOYSA-N 1 0 414.576 -0.071 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474809824 1071157832 /nfs/dbraw/zinc/15/78/32/1071157832.db2.gz JJFBNUSSKYTAHS-AWEZNQCLSA-N 1 0 400.549 -0.381 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474809825 1071157908 /nfs/dbraw/zinc/15/79/08/1071157908.db2.gz JJFBNUSSKYTAHS-CQSZACIVSA-N 1 0 400.549 -0.381 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474810848 1071157781 /nfs/dbraw/zinc/15/77/81/1071157781.db2.gz PYMVHDOIQNHAEU-UHFFFAOYSA-N 1 0 400.549 -0.461 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000474810933 1071157886 /nfs/dbraw/zinc/15/78/86/1071157886.db2.gz PXVYZFRCKAQLFS-UHFFFAOYSA-N 1 0 402.499 -0.222 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000474812149 1071157960 /nfs/dbraw/zinc/15/79/60/1071157960.db2.gz BOMCYVSMPJCTTP-UHFFFAOYSA-N 1 0 402.499 -0.222 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000474816992 1071158696 /nfs/dbraw/zinc/15/86/96/1071158696.db2.gz MYNHDPBLMJVWJH-UHFFFAOYSA-N 1 0 419.530 -0.644 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000474820549 1071158715 /nfs/dbraw/zinc/15/87/15/1071158715.db2.gz SIYGNIJGGNPLOC-GOSISDBHSA-N 1 0 409.575 -0.301 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000474820554 1071158784 /nfs/dbraw/zinc/15/87/84/1071158784.db2.gz SIYGNIJGGNPLOC-SFHVURJKSA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474822264 1071158753 /nfs/dbraw/zinc/15/87/53/1071158753.db2.gz PFFOPKAUZXRWSA-UHFFFAOYSA-N 1 0 419.592 -0.647 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000474877122 1071163686 /nfs/dbraw/zinc/16/36/86/1071163686.db2.gz JOGKXNRNOSOTDI-UHFFFAOYSA-N 1 0 415.516 -0.603 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000474881787 1071164466 /nfs/dbraw/zinc/16/44/66/1071164466.db2.gz JAVSTDCLNOJMTD-UHFFFAOYSA-N 1 0 420.514 -0.171 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000474882292 1071163467 /nfs/dbraw/zinc/16/34/67/1071163467.db2.gz VFFWKHDAMXTQPK-UHFFFAOYSA-N 1 0 406.487 -0.561 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000474882899 1071164389 /nfs/dbraw/zinc/16/43/89/1071164389.db2.gz MVJWRIGGIVWVQB-UHFFFAOYSA-N 1 0 406.487 -0.561 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000474893328 1071164292 /nfs/dbraw/zinc/16/42/92/1071164292.db2.gz MYLHBAQJAWJDGP-UHFFFAOYSA-N 1 0 416.500 -0.338 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000474899195 1071165394 /nfs/dbraw/zinc/16/53/94/1071165394.db2.gz SGJPYZGVBIRBAW-UHFFFAOYSA-N 1 0 400.501 -0.124 20 0 HBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000474900020 1071165253 /nfs/dbraw/zinc/16/52/53/1071165253.db2.gz MAXFVRAMBPLAHG-UHFFFAOYSA-N 1 0 412.512 -0.028 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000474904646 1071165832 /nfs/dbraw/zinc/16/58/32/1071165832.db2.gz GVJLXRSZIBJQFT-UHFFFAOYSA-N 1 0 404.533 -0.856 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000474905563 1071165813 /nfs/dbraw/zinc/16/58/13/1071165813.db2.gz KWTRMAQNQFXPEO-UHFFFAOYSA-N 1 0 424.479 -0.435 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCC(=O)NC(N)=O ZINC000474946326 1071167538 /nfs/dbraw/zinc/16/75/38/1071167538.db2.gz YSEYUUQDCHXEEL-UHFFFAOYSA-N 1 0 413.500 -0.460 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000474968970 1071168640 /nfs/dbraw/zinc/16/86/40/1071168640.db2.gz PFDMMNHLQAEWDD-UHFFFAOYSA-N 1 0 414.528 -0.548 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000474978652 1071170188 /nfs/dbraw/zinc/17/01/88/1071170188.db2.gz TUQLQVGCVRGLDM-CYBMUJFWSA-N 1 0 410.496 -0.740 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000474978658 1071170201 /nfs/dbraw/zinc/17/02/01/1071170201.db2.gz TUQLQVGCVRGLDM-ZDUSSCGKSA-N 1 0 410.496 -0.740 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000474978982 1071170136 /nfs/dbraw/zinc/17/01/36/1071170136.db2.gz NTDRKDFVXLNXDU-UHFFFAOYSA-N 1 0 412.512 -0.162 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000474988182 1071170128 /nfs/dbraw/zinc/17/01/28/1071170128.db2.gz SOQXJFWGCWLLGO-UHFFFAOYSA-N 1 0 403.526 -0.045 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475017600 1071176738 /nfs/dbraw/zinc/17/67/38/1071176738.db2.gz OXDAVSFCFZVHIT-GOSISDBHSA-N 1 0 411.547 -0.471 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475017602 1071176831 /nfs/dbraw/zinc/17/68/31/1071176831.db2.gz OXDAVSFCFZVHIT-SFHVURJKSA-N 1 0 411.547 -0.471 20 0 HBADRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000475027952 1071190247 /nfs/dbraw/zinc/19/02/47/1071190247.db2.gz JQFCEESBGHTPDF-DLBZAZTESA-N 1 0 410.540 -0.359 20 0 HBADRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000475027953 1071190359 /nfs/dbraw/zinc/19/03/59/1071190359.db2.gz JQFCEESBGHTPDF-IAGOWNOFSA-N 1 0 410.540 -0.359 20 0 HBADRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000475027954 1071190424 /nfs/dbraw/zinc/19/04/24/1071190424.db2.gz JQFCEESBGHTPDF-IRXDYDNUSA-N 1 0 410.540 -0.359 20 0 HBADRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000475027955 1071190161 /nfs/dbraw/zinc/19/01/61/1071190161.db2.gz JQFCEESBGHTPDF-SJORKVTESA-N 1 0 410.540 -0.359 20 0 HBADRO CC1CC[NH+](CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000475047460 1071195945 /nfs/dbraw/zinc/19/59/45/1071195945.db2.gz PIVGCNQBVPTEFE-INIZCTEOSA-N 1 0 400.545 -0.834 20 0 HBADRO CC1CC[NH+](CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000475047461 1071195845 /nfs/dbraw/zinc/19/58/45/1071195845.db2.gz PIVGCNQBVPTEFE-MRXNPFEDSA-N 1 0 400.545 -0.834 20 0 HBADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000475106373 1071250626 /nfs/dbraw/zinc/25/06/26/1071250626.db2.gz AXJKZIGTTYWUNZ-GOSISDBHSA-N 1 0 410.563 -0.944 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000475106378 1071250861 /nfs/dbraw/zinc/25/08/61/1071250861.db2.gz AXJKZIGTTYWUNZ-SFHVURJKSA-N 1 0 410.563 -0.944 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475107798 1071249221 /nfs/dbraw/zinc/24/92/21/1071249221.db2.gz LSFGVXLQIIQANM-IBGZPJMESA-N 1 0 424.590 -0.554 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475107800 1071250040 /nfs/dbraw/zinc/25/00/40/1071250040.db2.gz LSFGVXLQIIQANM-LJQANCHMSA-N 1 0 424.590 -0.554 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000475121277 1071250904 /nfs/dbraw/zinc/25/09/04/1071250904.db2.gz QOWIXOLNVMKECW-UHFFFAOYSA-N 1 0 406.574 -0.129 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000475135377 1071252332 /nfs/dbraw/zinc/25/23/32/1071252332.db2.gz FNFUIEYADLKJJT-IBGZPJMESA-N 1 0 424.590 -0.556 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000475135386 1071252131 /nfs/dbraw/zinc/25/21/31/1071252131.db2.gz FNFUIEYADLKJJT-LJQANCHMSA-N 1 0 424.590 -0.556 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475139164 1071252903 /nfs/dbraw/zinc/25/29/03/1071252903.db2.gz OHZGZVMRDJZTRD-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 ZINC000475154187 1071253712 /nfs/dbraw/zinc/25/37/12/1071253712.db2.gz GVGXBENLUOLSNV-CEXWTWQISA-N 1 0 424.567 -0.819 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 ZINC000475154188 1071253613 /nfs/dbraw/zinc/25/36/13/1071253613.db2.gz GVGXBENLUOLSNV-GUDVDZBRSA-N 1 0 424.567 -0.819 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 ZINC000475154189 1071253755 /nfs/dbraw/zinc/25/37/55/1071253755.db2.gz GVGXBENLUOLSNV-QRVBRYPASA-N 1 0 424.567 -0.819 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 ZINC000475154190 1071253739 /nfs/dbraw/zinc/25/37/39/1071253739.db2.gz GVGXBENLUOLSNV-QYZOEREBSA-N 1 0 424.567 -0.819 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1C(N)=O ZINC000475156776 1071254389 /nfs/dbraw/zinc/25/43/89/1071254389.db2.gz NBECXRDQKUANIS-GFCCVEGCSA-N 1 0 405.455 -0.161 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1C(N)=O ZINC000475156777 1071254290 /nfs/dbraw/zinc/25/42/90/1071254290.db2.gz NBECXRDQKUANIS-LBPRGKRZSA-N 1 0 405.455 -0.161 20 0 HBADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475158316 1071254363 /nfs/dbraw/zinc/25/43/63/1071254363.db2.gz XVOPLCVKEUYGGA-UHFFFAOYSA-N 1 0 420.514 -0.129 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000475160694 1071254421 /nfs/dbraw/zinc/25/44/21/1071254421.db2.gz FFCSFKFAXSMMCC-CABCVRRESA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000475160779 1071254433 /nfs/dbraw/zinc/25/44/33/1071254433.db2.gz FFCSFKFAXSMMCC-GJZGRUSLSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000475160782 1071254329 /nfs/dbraw/zinc/25/43/29/1071254329.db2.gz FFCSFKFAXSMMCC-HUUCEWRRSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000475160784 1071254446 /nfs/dbraw/zinc/25/44/46/1071254446.db2.gz FFCSFKFAXSMMCC-LSDHHAIUSA-N 1 0 408.503 -0.179 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCCCC1 ZINC000475163820 1071255081 /nfs/dbraw/zinc/25/50/81/1071255081.db2.gz JTURUUXUBXBQJB-INIZCTEOSA-N 1 0 420.514 -0.081 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCCCC1 ZINC000475163821 1071255256 /nfs/dbraw/zinc/25/52/56/1071255256.db2.gz JTURUUXUBXBQJB-MRXNPFEDSA-N 1 0 420.514 -0.081 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164861 1071255031 /nfs/dbraw/zinc/25/50/31/1071255031.db2.gz UKHRKNKCCQYIRF-CVEARBPZSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164862 1071254925 /nfs/dbraw/zinc/25/49/25/1071254925.db2.gz UKHRKNKCCQYIRF-HOTGVXAUSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164863 1071255204 /nfs/dbraw/zinc/25/52/04/1071255204.db2.gz UKHRKNKCCQYIRF-HZPDHXFCSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164864 1071255114 /nfs/dbraw/zinc/25/51/14/1071255114.db2.gz UKHRKNKCCQYIRF-JKSUJKDBSA-N 1 0 420.514 -0.083 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475165345 1071255161 /nfs/dbraw/zinc/25/51/61/1071255161.db2.gz VJNKTUSIGSYSSA-CYBMUJFWSA-N 1 0 406.487 -0.483 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475165346 1071255287 /nfs/dbraw/zinc/25/52/87/1071255287.db2.gz VJNKTUSIGSYSSA-ZDUSSCGKSA-N 1 0 406.487 -0.483 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cn1)N1CCOCC1 ZINC000475174090 1071256866 /nfs/dbraw/zinc/25/68/66/1071256866.db2.gz MOCQQZVOSRACDK-UHFFFAOYSA-N 1 0 406.487 -0.327 20 0 HBADRO COc1nn(C)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000475175441 1071257406 /nfs/dbraw/zinc/25/74/06/1071257406.db2.gz QUWGLZAAUADQNW-HNNXBMFYSA-N 1 0 416.482 -0.228 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1C(N)=O ZINC000475176870 1071256815 /nfs/dbraw/zinc/25/68/15/1071256815.db2.gz VYVLCMNAIGIVDL-UHFFFAOYSA-N 1 0 404.471 -0.632 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475177702 1071259822 /nfs/dbraw/zinc/25/98/22/1071259822.db2.gz PLPOBTCMNFYKNW-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475177703 1071259670 /nfs/dbraw/zinc/25/96/70/1071259670.db2.gz PLPOBTCMNFYKNW-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+](C)C ZINC000475179547 1071259616 /nfs/dbraw/zinc/25/96/16/1071259616.db2.gz CGUULJOIFKKGRE-INIZCTEOSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+](C)C ZINC000475179549 1071259638 /nfs/dbraw/zinc/25/96/38/1071259638.db2.gz CGUULJOIFKKGRE-MRXNPFEDSA-N 1 0 408.503 -0.227 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000475181159 1071257450 /nfs/dbraw/zinc/25/74/50/1071257450.db2.gz GGKBPNFKMQOGGP-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cn1)N1CCOCC1 ZINC000475183666 1071258025 /nfs/dbraw/zinc/25/80/25/1071258025.db2.gz PBKPFTRHZIBCEE-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO COc1ncc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C(N)=O ZINC000475185499 1071258215 /nfs/dbraw/zinc/25/82/15/1071258215.db2.gz PJNFUAUWUGXOSX-HNNXBMFYSA-N 1 0 406.487 -0.484 20 0 HBADRO COc1ncc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C(N)=O ZINC000475185504 1071258118 /nfs/dbraw/zinc/25/81/18/1071258118.db2.gz PJNFUAUWUGXOSX-OAHLLOKOSA-N 1 0 406.487 -0.484 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475186603 1071258806 /nfs/dbraw/zinc/25/88/06/1071258806.db2.gz ZQXFALHTTXPUQI-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000475187830 1071258704 /nfs/dbraw/zinc/25/87/04/1071258704.db2.gz UIGQJRRFDLQZKZ-CABCVRRESA-N 1 0 408.503 -0.037 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000475187831 1071258948 /nfs/dbraw/zinc/25/89/48/1071258948.db2.gz UIGQJRRFDLQZKZ-GJZGRUSLSA-N 1 0 408.503 -0.037 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000475187832 1071259032 /nfs/dbraw/zinc/25/90/32/1071259032.db2.gz UIGQJRRFDLQZKZ-HUUCEWRRSA-N 1 0 408.503 -0.037 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000475187833 1071258823 /nfs/dbraw/zinc/25/88/23/1071258823.db2.gz UIGQJRRFDLQZKZ-LSDHHAIUSA-N 1 0 408.503 -0.037 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1)N1CCOCC1 ZINC000475188340 1071258889 /nfs/dbraw/zinc/25/88/89/1071258889.db2.gz ZDOZQOGBLLMAJY-CVEARBPZSA-N 1 0 404.471 -0.577 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1)N1CCOCC1 ZINC000475188341 1071258727 /nfs/dbraw/zinc/25/87/27/1071258727.db2.gz ZDOZQOGBLLMAJY-HOTGVXAUSA-N 1 0 404.471 -0.577 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1)N1CCOCC1 ZINC000475188342 1071258870 /nfs/dbraw/zinc/25/88/70/1071258870.db2.gz ZDOZQOGBLLMAJY-HZPDHXFCSA-N 1 0 404.471 -0.577 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1)N1CCOCC1 ZINC000475188343 1071258989 /nfs/dbraw/zinc/25/89/89/1071258989.db2.gz ZDOZQOGBLLMAJY-JKSUJKDBSA-N 1 0 404.471 -0.577 20 0 HBADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475189282 1071259789 /nfs/dbraw/zinc/25/97/89/1071259789.db2.gz FWJBHDBUSIKBED-UHFFFAOYSA-N 1 0 406.487 -0.519 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475189399 1071260968 /nfs/dbraw/zinc/26/09/68/1071260968.db2.gz AXFWSPLDFOWWAR-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475189400 1071261290 /nfs/dbraw/zinc/26/12/90/1071261290.db2.gz AXFWSPLDFOWWAR-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475189602 1071261028 /nfs/dbraw/zinc/26/10/28/1071261028.db2.gz HRUXAPKCDBQEPV-UHFFFAOYSA-N 1 0 406.487 -0.472 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000475190017 1071261265 /nfs/dbraw/zinc/26/12/65/1071261265.db2.gz DUEVZUGJCUTCAP-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475190508 1071260579 /nfs/dbraw/zinc/26/05/79/1071260579.db2.gz LGWISLGOBJGNLE-CVEARBPZSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000475190509 1071260306 /nfs/dbraw/zinc/26/03/06/1071260306.db2.gz LGWISLGOBJGNLE-HOTGVXAUSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475190510 1071260361 /nfs/dbraw/zinc/26/03/61/1071260361.db2.gz LGWISLGOBJGNLE-HZPDHXFCSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000475190511 1071260520 /nfs/dbraw/zinc/26/05/20/1071260520.db2.gz LGWISLGOBJGNLE-JKSUJKDBSA-N 1 0 420.514 -0.083 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1C(N)=O ZINC000475191216 1071262048 /nfs/dbraw/zinc/26/20/48/1071262048.db2.gz PTLSTHOKFAHDPY-UHFFFAOYSA-N 1 0 405.455 -0.302 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cn1)N1CCOCC1 ZINC000475191403 1071262028 /nfs/dbraw/zinc/26/20/28/1071262028.db2.gz CUXXYXUONQUKCH-UHFFFAOYSA-N 1 0 406.487 -0.327 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475191919 1071261843 /nfs/dbraw/zinc/26/18/43/1071261843.db2.gz LKBUBWLPUIXTLP-HNNXBMFYSA-N 1 0 406.487 -0.472 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475191920 1071261975 /nfs/dbraw/zinc/26/19/75/1071261975.db2.gz LKBUBWLPUIXTLP-OAHLLOKOSA-N 1 0 406.487 -0.472 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000475193676 1071262696 /nfs/dbraw/zinc/26/26/96/1071262696.db2.gz WPCVZAIDJJVOFD-CABCVRRESA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000475193679 1071262517 /nfs/dbraw/zinc/26/25/17/1071262517.db2.gz WPCVZAIDJJVOFD-GJZGRUSLSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000475193681 1071262743 /nfs/dbraw/zinc/26/27/43/1071262743.db2.gz WPCVZAIDJJVOFD-HUUCEWRRSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000475193683 1071262644 /nfs/dbraw/zinc/26/26/44/1071262644.db2.gz WPCVZAIDJJVOFD-LSDHHAIUSA-N 1 0 408.503 -0.179 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cn1)N1CCOCC1 ZINC000475197494 1071262457 /nfs/dbraw/zinc/26/24/57/1071262457.db2.gz YHNAGIWGBPSTGB-UHFFFAOYSA-N 1 0 418.498 -0.233 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000475202716 1071263281 /nfs/dbraw/zinc/26/32/81/1071263281.db2.gz AWZXBWRVCFLXMU-KRWDZBQOSA-N 1 0 420.514 -0.083 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCCC1 ZINC000475202718 1071263386 /nfs/dbraw/zinc/26/33/86/1071263386.db2.gz AWZXBWRVCFLXMU-QGZVFWFLSA-N 1 0 420.514 -0.083 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475203511 1071263357 /nfs/dbraw/zinc/26/33/57/1071263357.db2.gz MKBIUHIIFAJFPN-UHFFFAOYSA-N 1 0 420.514 -0.083 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000475214512 1071264077 /nfs/dbraw/zinc/26/40/77/1071264077.db2.gz ZRBBLVSKTDSOQW-KRWDZBQOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000475214514 1071264233 /nfs/dbraw/zinc/26/42/33/1071264233.db2.gz ZRBBLVSKTDSOQW-QGZVFWFLSA-N 1 0 418.498 -0.233 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000475216131 1071264790 /nfs/dbraw/zinc/26/47/90/1071264790.db2.gz BHOSJLJEQGKDGP-INIZCTEOSA-N 1 0 406.487 -0.329 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000475216132 1071264834 /nfs/dbraw/zinc/26/48/34/1071264834.db2.gz BHOSJLJEQGKDGP-MRXNPFEDSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000475219568 1071264863 /nfs/dbraw/zinc/26/48/63/1071264863.db2.gz JYQNWCLNLWKOSR-HNNXBMFYSA-N 1 0 406.487 -0.472 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000475219569 1071264784 /nfs/dbraw/zinc/26/47/84/1071264784.db2.gz JYQNWCLNLWKOSR-OAHLLOKOSA-N 1 0 406.487 -0.472 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000475228805 1071264867 /nfs/dbraw/zinc/26/48/67/1071264867.db2.gz CWYRQRKPKAKSMP-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000475228807 1071264823 /nfs/dbraw/zinc/26/48/23/1071264823.db2.gz CWYRQRKPKAKSMP-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475235045 1071266577 /nfs/dbraw/zinc/26/65/77/1071266577.db2.gz KGIIHSOFUQVPJN-ILXRZTDVSA-N 1 0 408.503 -0.086 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475235048 1071266563 /nfs/dbraw/zinc/26/65/63/1071266563.db2.gz KGIIHSOFUQVPJN-KFWWJZLASA-N 1 0 408.503 -0.086 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475235049 1071266736 /nfs/dbraw/zinc/26/67/36/1071266736.db2.gz KGIIHSOFUQVPJN-RBSFLKMASA-N 1 0 408.503 -0.086 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475235051 1071266480 /nfs/dbraw/zinc/26/64/80/1071266480.db2.gz KGIIHSOFUQVPJN-SOUVJXGZSA-N 1 0 408.503 -0.086 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cn1 ZINC000475238823 1071265487 /nfs/dbraw/zinc/26/54/87/1071265487.db2.gz VTLLINXPNBNQAW-HNNXBMFYSA-N 1 0 408.503 -0.179 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cn1 ZINC000475238825 1071265427 /nfs/dbraw/zinc/26/54/27/1071265427.db2.gz VTLLINXPNBNQAW-OAHLLOKOSA-N 1 0 408.503 -0.179 20 0 HBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000475241286 1071266233 /nfs/dbraw/zinc/26/62/33/1071266233.db2.gz RKLPWRZBNUDIKU-DZGCQCFKSA-N 1 0 422.486 -0.843 20 0 HBADRO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000475241287 1071266051 /nfs/dbraw/zinc/26/60/51/1071266051.db2.gz RKLPWRZBNUDIKU-HIFRSBDPSA-N 1 0 422.486 -0.843 20 0 HBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000475241288 1071266142 /nfs/dbraw/zinc/26/61/42/1071266142.db2.gz RKLPWRZBNUDIKU-UKRRQHHQSA-N 1 0 422.486 -0.843 20 0 HBADRO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000475241289 1071266018 /nfs/dbraw/zinc/26/60/18/1071266018.db2.gz RKLPWRZBNUDIKU-ZFWWWQNUSA-N 1 0 422.486 -0.843 20 0 HBADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475253228 1071266501 /nfs/dbraw/zinc/26/65/01/1071266501.db2.gz MJBBVGHMUYOSSR-GASCZTMLSA-N 1 0 408.503 -0.086 20 0 HBADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475253230 1071266758 /nfs/dbraw/zinc/26/67/58/1071266758.db2.gz MJBBVGHMUYOSSR-GJZGRUSLSA-N 1 0 408.503 -0.086 20 0 HBADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475253232 1071266643 /nfs/dbraw/zinc/26/66/43/1071266643.db2.gz MJBBVGHMUYOSSR-HUUCEWRRSA-N 1 0 408.503 -0.086 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000475253282 1071267658 /nfs/dbraw/zinc/26/76/58/1071267658.db2.gz BQJWDFJPNFPZRL-GASCZTMLSA-N 1 0 408.503 -0.037 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000475253283 1071267331 /nfs/dbraw/zinc/26/73/31/1071267331.db2.gz BQJWDFJPNFPZRL-GJZGRUSLSA-N 1 0 408.503 -0.037 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cn1 ZINC000475253284 1071267524 /nfs/dbraw/zinc/26/75/24/1071267524.db2.gz BQJWDFJPNFPZRL-HUUCEWRRSA-N 1 0 408.503 -0.037 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC000475254192 1071267561 /nfs/dbraw/zinc/26/75/61/1071267561.db2.gz IRRKZUZDJHYKDM-GASCZTMLSA-N 1 0 406.487 -0.331 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC000475254193 1071267230 /nfs/dbraw/zinc/26/72/30/1071267230.db2.gz IRRKZUZDJHYKDM-GJZGRUSLSA-N 1 0 406.487 -0.331 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC000475254194 1071267309 /nfs/dbraw/zinc/26/73/09/1071267309.db2.gz IRRKZUZDJHYKDM-HUUCEWRRSA-N 1 0 406.487 -0.331 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475254604 1071267584 /nfs/dbraw/zinc/26/75/84/1071267584.db2.gz KHMLVJIWELUBSV-INIZCTEOSA-N 1 0 406.487 -0.329 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475254605 1071267476 /nfs/dbraw/zinc/26/74/76/1071267476.db2.gz KHMLVJIWELUBSV-MRXNPFEDSA-N 1 0 406.487 -0.329 20 0 HBADRO COc1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C(N)=O ZINC000475254629 1071267418 /nfs/dbraw/zinc/26/74/18/1071267418.db2.gz KLTVBAYAEZLLCI-AWEZNQCLSA-N 1 0 420.470 -0.814 20 0 HBADRO COc1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C(N)=O ZINC000475254630 1071267379 /nfs/dbraw/zinc/26/73/79/1071267379.db2.gz KLTVBAYAEZLLCI-CQSZACIVSA-N 1 0 420.470 -0.814 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475254805 1071268049 /nfs/dbraw/zinc/26/80/49/1071268049.db2.gz KMOCPLDPEIORJG-GASCZTMLSA-N 1 0 424.502 -0.848 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475254806 1071268117 /nfs/dbraw/zinc/26/81/17/1071268117.db2.gz KMOCPLDPEIORJG-GJZGRUSLSA-N 1 0 424.502 -0.848 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475254807 1071268236 /nfs/dbraw/zinc/26/82/36/1071268236.db2.gz KMOCPLDPEIORJG-HUUCEWRRSA-N 1 0 424.502 -0.848 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cn2)C[C@H](C)O1 ZINC000475258396 1071268159 /nfs/dbraw/zinc/26/81/59/1071268159.db2.gz QMKPXKAXABANKX-KBPBESRZSA-N 1 0 406.487 -0.332 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cn2)C[C@H](C)O1 ZINC000475258397 1071268027 /nfs/dbraw/zinc/26/80/27/1071268027.db2.gz QMKPXKAXABANKX-OKILXGFUSA-N 1 0 406.487 -0.332 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cn2)C[C@@H](C)O1 ZINC000475258398 1071268274 /nfs/dbraw/zinc/26/82/74/1071268274.db2.gz QMKPXKAXABANKX-ZIAGYGMSSA-N 1 0 406.487 -0.332 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475258410 1071268212 /nfs/dbraw/zinc/26/82/12/1071268212.db2.gz QPWKZVPMCMTLKD-GASCZTMLSA-N 1 0 408.503 -0.085 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475258411 1071268706 /nfs/dbraw/zinc/26/87/06/1071268706.db2.gz QPWKZVPMCMTLKD-GJZGRUSLSA-N 1 0 408.503 -0.085 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475258412 1071268592 /nfs/dbraw/zinc/26/85/92/1071268592.db2.gz QPWKZVPMCMTLKD-HUUCEWRRSA-N 1 0 408.503 -0.085 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475258623 1071268656 /nfs/dbraw/zinc/26/86/56/1071268656.db2.gz WYKXAIGOAKJQAE-INIZCTEOSA-N 1 0 420.514 -0.083 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475258624 1071268559 /nfs/dbraw/zinc/26/85/59/1071268559.db2.gz WYKXAIGOAKJQAE-MRXNPFEDSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000475259764 1071272175 /nfs/dbraw/zinc/27/21/75/1071272175.db2.gz YCYQCJMXKFMJCQ-CKEIUWERSA-N 1 0 420.514 -0.086 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000475259765 1071271953 /nfs/dbraw/zinc/27/19/53/1071271953.db2.gz YCYQCJMXKFMJCQ-CPUCHLNUSA-N 1 0 420.514 -0.086 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475259766 1071272093 /nfs/dbraw/zinc/27/20/93/1071272093.db2.gz YCYQCJMXKFMJCQ-JKIFEVAISA-N 1 0 420.514 -0.086 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475259767 1071272223 /nfs/dbraw/zinc/27/22/23/1071272223.db2.gz YCYQCJMXKFMJCQ-VBQJREDUSA-N 1 0 420.514 -0.086 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CCCC1 ZINC000475260817 1071272002 /nfs/dbraw/zinc/27/20/02/1071272002.db2.gz REFVJNWCLYLHCQ-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)CC2)c1 ZINC000475260818 1071272819 /nfs/dbraw/zinc/27/28/19/1071272819.db2.gz WHJCOURIYFOEGZ-UHFFFAOYSA-N 1 0 414.422 -0.120 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3C[C@H](O)C[C@H]3CO)CC2)cc1 ZINC000475261905 1071272773 /nfs/dbraw/zinc/27/27/73/1071272773.db2.gz USUQHOAZQUHHBW-YESZJQIVSA-N 1 0 411.524 -0.356 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475261979 1071272677 /nfs/dbraw/zinc/27/26/77/1071272677.db2.gz GAAZZFPFETXXBF-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475262360 1071272660 /nfs/dbraw/zinc/27/26/60/1071272660.db2.gz RQBICPPRABKZIG-UHFFFAOYSA-N 1 0 420.470 -0.860 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC000475263160 1071270007 /nfs/dbraw/zinc/27/00/07/1071270007.db2.gz IMAOXCKNYJBABJ-GASCZTMLSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC000475263162 1071270269 /nfs/dbraw/zinc/27/02/69/1071270269.db2.gz IMAOXCKNYJBABJ-GJZGRUSLSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cn2)C[C@@H](C)O1 ZINC000475263164 1071270089 /nfs/dbraw/zinc/27/00/89/1071270089.db2.gz IMAOXCKNYJBABJ-HUUCEWRRSA-N 1 0 420.514 -0.085 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475263511 1071272639 /nfs/dbraw/zinc/27/26/39/1071272639.db2.gz JTNLPUJDDILLMP-UHFFFAOYSA-N 1 0 406.487 -0.377 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1C(N)=O ZINC000475263719 1071270851 /nfs/dbraw/zinc/27/08/51/1071270851.db2.gz KHPADMHJKCUIGN-UHFFFAOYSA-N 1 0 405.455 -0.302 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C(N)=O ZINC000475263805 1071270810 /nfs/dbraw/zinc/27/08/10/1071270810.db2.gz VFOPFXRMLITZDT-CYBMUJFWSA-N 1 0 405.455 -0.302 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C(N)=O ZINC000475263807 1071270870 /nfs/dbraw/zinc/27/08/70/1071270870.db2.gz VFOPFXRMLITZDT-ZDUSSCGKSA-N 1 0 405.455 -0.302 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C(N)=O ZINC000475264721 1071270765 /nfs/dbraw/zinc/27/07/65/1071270765.db2.gz MLFCVMBPOKHERM-HNNXBMFYSA-N 1 0 418.498 -0.244 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C(N)=O ZINC000475264735 1071270751 /nfs/dbraw/zinc/27/07/51/1071270751.db2.gz MLFCVMBPOKHERM-OAHLLOKOSA-N 1 0 418.498 -0.244 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1)N1CCOCC1 ZINC000475264828 1071270879 /nfs/dbraw/zinc/27/08/79/1071270879.db2.gz MYRBOSRLHBULMT-KRWDZBQOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1)N1CCOCC1 ZINC000475264830 1071270717 /nfs/dbraw/zinc/27/07/17/1071270717.db2.gz MYRBOSRLHBULMT-QGZVFWFLSA-N 1 0 418.498 -0.233 20 0 HBADRO COc1ncc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C(N)=O ZINC000475266114 1071270913 /nfs/dbraw/zinc/27/09/13/1071270913.db2.gz QPRAMPSEMFMFJW-UHFFFAOYSA-N 1 0 405.455 -0.111 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1)N1CCOCC1 ZINC000475266369 1071270933 /nfs/dbraw/zinc/27/09/33/1071270933.db2.gz QZNQGVWONUDKFH-HNNXBMFYSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1)N1CCOCC1 ZINC000475266371 1071270826 /nfs/dbraw/zinc/27/08/26/1071270826.db2.gz QZNQGVWONUDKFH-OAHLLOKOSA-N 1 0 418.498 -0.187 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000475267407 1071271611 /nfs/dbraw/zinc/27/16/11/1071271611.db2.gz WEIMEYJJURGJOB-INIZCTEOSA-N 1 0 406.487 -0.329 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000475267408 1071271428 /nfs/dbraw/zinc/27/14/28/1071271428.db2.gz WEIMEYJJURGJOB-MRXNPFEDSA-N 1 0 406.487 -0.329 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000475267771 1071271372 /nfs/dbraw/zinc/27/13/72/1071271372.db2.gz XZKAIMUDQJRQBZ-AWEZNQCLSA-N 1 0 406.487 -0.283 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000475267772 1071271466 /nfs/dbraw/zinc/27/14/66/1071271466.db2.gz XZKAIMUDQJRQBZ-CQSZACIVSA-N 1 0 406.487 -0.283 20 0 HBADRO COc1nn(C)cc1NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000475277590 1071272762 /nfs/dbraw/zinc/27/27/62/1071272762.db2.gz XXWJQZWUUMSMHM-UHFFFAOYSA-N 1 0 402.455 -0.025 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC([NH+]3CCCCC3)C1)C2 ZINC000475300779 1071274251 /nfs/dbraw/zinc/27/42/51/1071274251.db2.gz VDCINXICXDHJFY-UHFFFAOYSA-N 1 0 405.503 -0.325 20 0 HBADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000475304433 1071274236 /nfs/dbraw/zinc/27/42/36/1071274236.db2.gz TXNMXOSDRNBVJX-UHFFFAOYSA-N 1 0 407.515 -0.284 20 0 HBADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000475314583 1071274351 /nfs/dbraw/zinc/27/43/51/1071274351.db2.gz UVXAGUHQXGDDBF-UHFFFAOYSA-N 1 0 415.560 -0.093 20 0 HBADRO CCCn1c(N)c(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)c(=O)[nH]c1=O ZINC000475335647 1071274870 /nfs/dbraw/zinc/27/48/70/1071274870.db2.gz RXYBANZDKOHGGA-QWHCGFSZSA-N 1 0 405.459 -0.019 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475353238 1069185269 /nfs/dbraw/zinc/18/52/69/1069185269.db2.gz FYUCKACTHMGFJV-FQEVSTJZSA-N 1 0 421.586 -0.347 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475353239 1069185216 /nfs/dbraw/zinc/18/52/16/1069185216.db2.gz FYUCKACTHMGFJV-HXUWFJFHSA-N 1 0 421.586 -0.347 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000475359399 1071275686 /nfs/dbraw/zinc/27/56/86/1071275686.db2.gz WFPJCUAIXDXOJW-CVEARBPZSA-N 1 0 418.494 -0.163 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000475359400 1071275734 /nfs/dbraw/zinc/27/57/34/1071275734.db2.gz WFPJCUAIXDXOJW-HOTGVXAUSA-N 1 0 418.494 -0.163 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000475359401 1071275665 /nfs/dbraw/zinc/27/56/65/1071275665.db2.gz WFPJCUAIXDXOJW-HZPDHXFCSA-N 1 0 418.494 -0.163 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000475359402 1071275715 /nfs/dbraw/zinc/27/57/15/1071275715.db2.gz WFPJCUAIXDXOJW-JKSUJKDBSA-N 1 0 418.494 -0.163 20 0 HBADRO COCCCS(=O)(=O)NCC[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000475364089 1071276362 /nfs/dbraw/zinc/27/63/62/1071276362.db2.gz CEYDAKNHCKMURZ-UHFFFAOYSA-N 1 0 401.533 -0.182 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCC1 ZINC000475371489 1071276261 /nfs/dbraw/zinc/27/62/61/1071276261.db2.gz SXGLGIMZSHEBMO-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cn1 ZINC000475379459 1071277113 /nfs/dbraw/zinc/27/71/13/1071277113.db2.gz INOFOJPUFUQSDD-UHFFFAOYSA-N 1 0 408.503 -0.035 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000475381012 1071277718 /nfs/dbraw/zinc/27/77/18/1071277718.db2.gz LJGBBRIBNJVMGG-UHFFFAOYSA-N 1 0 408.503 -0.035 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475381911 1071277728 /nfs/dbraw/zinc/27/77/28/1071277728.db2.gz OWKQLYKDBXXSDB-KBPBESRZSA-N 1 0 408.503 -0.086 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475381912 1071277748 /nfs/dbraw/zinc/27/77/48/1071277748.db2.gz OWKQLYKDBXXSDB-OKILXGFUSA-N 1 0 408.503 -0.086 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000475381913 1071277673 /nfs/dbraw/zinc/27/76/73/1071277673.db2.gz OWKQLYKDBXXSDB-ZIAGYGMSSA-N 1 0 408.503 -0.086 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)C ZINC000475388245 1071279180 /nfs/dbraw/zinc/27/91/80/1071279180.db2.gz LVIGKCYLWXGULS-UHFFFAOYSA-N 1 0 408.503 -0.085 20 0 HBADRO CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000475412447 1071281188 /nfs/dbraw/zinc/28/11/88/1071281188.db2.gz OXQSAGSGWYBYBJ-FQEVSTJZSA-N 1 0 422.530 -0.101 20 0 HBADRO CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000475412448 1071281388 /nfs/dbraw/zinc/28/13/88/1071281388.db2.gz OXQSAGSGWYBYBJ-HXUWFJFHSA-N 1 0 422.530 -0.101 20 0 HBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000475436792 1071285163 /nfs/dbraw/zinc/28/51/63/1071285163.db2.gz CHFMIGIGSGCIIM-AWEZNQCLSA-N 1 0 416.482 -0.097 20 0 HBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000475436793 1071285346 /nfs/dbraw/zinc/28/53/46/1071285346.db2.gz CHFMIGIGSGCIIM-CQSZACIVSA-N 1 0 416.482 -0.097 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000475437734 1071286714 /nfs/dbraw/zinc/28/67/14/1071286714.db2.gz KXAXJNMRTAHMLQ-INIZCTEOSA-N 1 0 408.503 -0.083 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000475437735 1071286556 /nfs/dbraw/zinc/28/65/56/1071286556.db2.gz KXAXJNMRTAHMLQ-MRXNPFEDSA-N 1 0 408.503 -0.083 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)nc2n(C)c1=O ZINC000475451214 1071293129 /nfs/dbraw/zinc/29/31/29/1071293129.db2.gz FFOREJVEXVWUEU-AWEZNQCLSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)nc2n(C)c1=O ZINC000475451215 1071292877 /nfs/dbraw/zinc/29/28/77/1071292877.db2.gz FFOREJVEXVWUEU-CQSZACIVSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](OCC[NH+]3CCCC3)C1)c(=O)n2C ZINC000475453189 1071293640 /nfs/dbraw/zinc/29/36/40/1071293640.db2.gz PTMNDTYIJRHOGQ-AWEZNQCLSA-N 1 0 404.471 -0.853 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H](OCC[NH+]3CCCC3)C1)c(=O)n2C ZINC000475453191 1071293876 /nfs/dbraw/zinc/29/38/76/1071293876.db2.gz PTMNDTYIJRHOGQ-CQSZACIVSA-N 1 0 404.471 -0.853 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000475528146 1071306541 /nfs/dbraw/zinc/30/65/41/1071306541.db2.gz OMASEQAECBJUKJ-AUUYWEPGSA-N 1 0 423.514 -0.694 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000475528147 1071306850 /nfs/dbraw/zinc/30/68/50/1071306850.db2.gz OMASEQAECBJUKJ-IFXJQAMLSA-N 1 0 423.514 -0.694 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000475528148 1071306504 /nfs/dbraw/zinc/30/65/04/1071306504.db2.gz OMASEQAECBJUKJ-KUHUBIRLSA-N 1 0 423.514 -0.694 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000475528149 1071306663 /nfs/dbraw/zinc/30/66/63/1071306663.db2.gz OMASEQAECBJUKJ-LIRRHRJNSA-N 1 0 423.514 -0.694 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000475553488 1071308149 /nfs/dbraw/zinc/30/81/49/1071308149.db2.gz KNLBGQKSCQFHHI-UHFFFAOYSA-N 1 0 419.530 -0.013 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475565873 1071310615 /nfs/dbraw/zinc/31/06/15/1071310615.db2.gz QVYBOQNPXBNYFT-KRWDZBQOSA-N 1 0 408.503 -0.044 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475565875 1071310477 /nfs/dbraw/zinc/31/04/77/1071310477.db2.gz QVYBOQNPXBNYFT-QGZVFWFLSA-N 1 0 408.503 -0.044 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475569523 1071311377 /nfs/dbraw/zinc/31/13/77/1071311377.db2.gz JGNXEQQMAKFNAU-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000475578252 1071312338 /nfs/dbraw/zinc/31/23/38/1071312338.db2.gz NQDBDHKPJCCODP-UHFFFAOYSA-N 1 0 416.482 -0.198 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475592015 1071315083 /nfs/dbraw/zinc/31/50/83/1071315083.db2.gz WBLCZQNZNDSUAE-HNNXBMFYSA-N 1 0 421.502 -0.549 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475592019 1071315538 /nfs/dbraw/zinc/31/55/38/1071315538.db2.gz WBLCZQNZNDSUAE-OAHLLOKOSA-N 1 0 421.502 -0.549 20 0 HBADRO COC(=O)c1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000475607477 1071331792 /nfs/dbraw/zinc/33/17/92/1071331792.db2.gz WNPFZBIBASKTLW-UHFFFAOYSA-N 1 0 416.438 -0.075 20 0 HBADRO COc1ncc(C)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000475611203 1071351370 /nfs/dbraw/zinc/35/13/70/1071351370.db2.gz HDWIORDKPURIDV-UHFFFAOYSA-N 1 0 403.443 -0.150 20 0 HBADRO COc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)n1 ZINC000475613443 1071352991 /nfs/dbraw/zinc/35/29/91/1071352991.db2.gz RSWQMGLHJUYUSF-UHFFFAOYSA-N 1 0 403.443 -0.150 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000475617231 1071361332 /nfs/dbraw/zinc/36/13/32/1071361332.db2.gz JTUQADVQKYOJMK-UHFFFAOYSA-N 1 0 416.438 -0.075 20 0 HBADRO CCOc1ncccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000475641126 1071481999 /nfs/dbraw/zinc/48/19/99/1071481999.db2.gz QUOGQMGGQCILQP-UHFFFAOYSA-N 1 0 403.443 -0.068 20 0 HBADRO COC(=O)c1ccsc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000475643629 1071501925 /nfs/dbraw/zinc/50/19/25/1071501925.db2.gz XHKJHELLNNKUEP-UHFFFAOYSA-N 1 0 422.467 -0.014 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)cnc2n(C)c1=O ZINC000475648124 1071542365 /nfs/dbraw/zinc/54/23/65/1071542365.db2.gz GIRLZBTZFIICSK-UHFFFAOYSA-N 1 0 402.455 -0.039 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000475670837 1069080143 /nfs/dbraw/zinc/08/01/43/1069080143.db2.gz HXXAXLXSDCEOJB-INIZCTEOSA-N 1 0 420.514 -0.035 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000475670838 1069080077 /nfs/dbraw/zinc/08/00/77/1069080077.db2.gz HXXAXLXSDCEOJB-MRXNPFEDSA-N 1 0 420.514 -0.035 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000475674292 1069102945 /nfs/dbraw/zinc/10/29/45/1069102945.db2.gz CKQHXMNOBFHESQ-CYBMUJFWSA-N 1 0 416.482 -0.335 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000475674294 1069103104 /nfs/dbraw/zinc/10/31/04/1069103104.db2.gz CKQHXMNOBFHESQ-ZDUSSCGKSA-N 1 0 416.482 -0.335 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000475676193 1069106856 /nfs/dbraw/zinc/10/68/56/1069106856.db2.gz PMZYDPWBPURZJZ-AWEZNQCLSA-N 1 0 403.483 -0.066 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000475676196 1069106970 /nfs/dbraw/zinc/10/69/70/1069106970.db2.gz PMZYDPWBPURZJZ-CQSZACIVSA-N 1 0 403.483 -0.066 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000475681378 1069124044 /nfs/dbraw/zinc/12/40/44/1069124044.db2.gz ZUIGZHLDKAQWDT-KRWDZBQOSA-N 1 0 412.516 -0.862 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000475681379 1069124220 /nfs/dbraw/zinc/12/42/20/1069124220.db2.gz ZUIGZHLDKAQWDT-QGZVFWFLSA-N 1 0 412.516 -0.862 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCSC1 ZINC000475681569 1069123260 /nfs/dbraw/zinc/12/32/60/1069123260.db2.gz WYSYTOFECSFNTD-GOSISDBHSA-N 1 0 424.527 -0.766 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCSC1 ZINC000475681570 1069123244 /nfs/dbraw/zinc/12/32/44/1069123244.db2.gz WYSYTOFECSFNTD-SFHVURJKSA-N 1 0 424.527 -0.766 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475682016 1069122680 /nfs/dbraw/zinc/12/26/80/1069122680.db2.gz ZXEZVKRQVHYMFY-INIZCTEOSA-N 1 0 420.514 -0.226 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475682017 1069122822 /nfs/dbraw/zinc/12/28/22/1069122822.db2.gz ZXEZVKRQVHYMFY-MRXNPFEDSA-N 1 0 420.514 -0.226 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686181 1069137736 /nfs/dbraw/zinc/13/77/36/1069137736.db2.gz QZVOVJRUYNXBCR-INIZCTEOSA-N 1 0 406.487 -0.377 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686182 1069137615 /nfs/dbraw/zinc/13/76/15/1069137615.db2.gz QZVOVJRUYNXBCR-MRXNPFEDSA-N 1 0 406.487 -0.377 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686933 1069137675 /nfs/dbraw/zinc/13/76/75/1069137675.db2.gz BMYFPFPVPSGTRA-GDBMZVCRSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686934 1069137605 /nfs/dbraw/zinc/13/76/05/1069137605.db2.gz BMYFPFPVPSGTRA-GOEBONIOSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686935 1069137461 /nfs/dbraw/zinc/13/74/61/1069137461.db2.gz BMYFPFPVPSGTRA-HOCLYGCPSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475686936 1069137514 /nfs/dbraw/zinc/13/75/14/1069137514.db2.gz BMYFPFPVPSGTRA-ZBFHGGJFSA-N 1 0 406.487 -0.331 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000475690926 1069154201 /nfs/dbraw/zinc/15/42/01/1069154201.db2.gz BHSBNXAAGNQSEW-KBPBESRZSA-N 1 0 404.471 -0.578 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000475690927 1069153777 /nfs/dbraw/zinc/15/37/77/1069153777.db2.gz BHSBNXAAGNQSEW-KGLIPLIRSA-N 1 0 404.471 -0.578 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000475690928 1069154258 /nfs/dbraw/zinc/15/42/58/1069154258.db2.gz BHSBNXAAGNQSEW-UONOGXRCSA-N 1 0 404.471 -0.578 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000475690929 1069154060 /nfs/dbraw/zinc/15/40/60/1069154060.db2.gz BHSBNXAAGNQSEW-ZIAGYGMSSA-N 1 0 404.471 -0.578 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475698448 1069155632 /nfs/dbraw/zinc/15/56/32/1069155632.db2.gz FNYVEILOEAMAJB-INIZCTEOSA-N 1 0 420.514 -0.129 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475698449 1069155750 /nfs/dbraw/zinc/15/57/50/1069155750.db2.gz FNYVEILOEAMAJB-MRXNPFEDSA-N 1 0 420.514 -0.129 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)(C)C[NH+](C)C ZINC000475700891 1069156581 /nfs/dbraw/zinc/15/65/81/1069156581.db2.gz XPKQRPFXKHTNJN-AWEZNQCLSA-N 1 0 408.503 -0.227 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)(C)C[NH+](C)C ZINC000475700892 1069156468 /nfs/dbraw/zinc/15/64/68/1069156468.db2.gz XPKQRPFXKHTNJN-CQSZACIVSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475701066 1069189993 /nfs/dbraw/zinc/18/99/93/1069189993.db2.gz RSNOAGNZIBTCEA-NRFANRHFSA-N 1 0 410.559 -0.138 20 0 HBADRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475701073 1069190160 /nfs/dbraw/zinc/19/01/60/1069190160.db2.gz RSNOAGNZIBTCEA-OAQYLSRUSA-N 1 0 410.559 -0.138 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000475701316 1069563339 /nfs/dbraw/zinc/56/33/39/1069563339.db2.gz XWFWIYDAOALKBI-INIZCTEOSA-N 1 0 420.514 -0.226 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000475701317 1069563212 /nfs/dbraw/zinc/56/32/12/1069563212.db2.gz XWFWIYDAOALKBI-MRXNPFEDSA-N 1 0 420.514 -0.226 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000475705035 1069160682 /nfs/dbraw/zinc/16/06/82/1069160682.db2.gz ZCYOKFOPOKBWBC-INIZCTEOSA-N 1 0 407.519 -0.076 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000475705036 1069160534 /nfs/dbraw/zinc/16/05/34/1069160534.db2.gz ZCYOKFOPOKBWBC-MRXNPFEDSA-N 1 0 407.519 -0.076 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475706791 1069162304 /nfs/dbraw/zinc/16/23/04/1069162304.db2.gz QFBQOEIPDZCRNF-INIZCTEOSA-N 1 0 420.514 -0.129 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475706792 1069162478 /nfs/dbraw/zinc/16/24/78/1069162478.db2.gz QFBQOEIPDZCRNF-MRXNPFEDSA-N 1 0 420.514 -0.129 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475707300 1069163376 /nfs/dbraw/zinc/16/33/76/1069163376.db2.gz CDAQGZZDIPLCSJ-BBRMVZONSA-N 1 0 404.471 -0.721 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475707301 1069163195 /nfs/dbraw/zinc/16/31/95/1069163195.db2.gz CDAQGZZDIPLCSJ-CJNGLKHVSA-N 1 0 404.471 -0.721 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475707302 1069163039 /nfs/dbraw/zinc/16/30/39/1069163039.db2.gz CDAQGZZDIPLCSJ-CZUORRHYSA-N 1 0 404.471 -0.721 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475707303 1069163253 /nfs/dbraw/zinc/16/32/53/1069163253.db2.gz CDAQGZZDIPLCSJ-XJKSGUPXSA-N 1 0 404.471 -0.721 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475707829 1069163082 /nfs/dbraw/zinc/16/30/82/1069163082.db2.gz ZUZZHUNDQADUSZ-HNNXBMFYSA-N 1 0 406.487 -0.519 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000475707831 1069163235 /nfs/dbraw/zinc/16/32/35/1069163235.db2.gz ZUZZHUNDQADUSZ-OAHLLOKOSA-N 1 0 406.487 -0.519 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000475720694 1069166635 /nfs/dbraw/zinc/16/66/35/1069166635.db2.gz ALXYKMVCTVJNCT-CABCVRRESA-N 1 0 404.533 -0.568 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000475720695 1069166431 /nfs/dbraw/zinc/16/64/31/1069166431.db2.gz ALXYKMVCTVJNCT-GJZGRUSLSA-N 1 0 404.533 -0.568 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000475720696 1069166353 /nfs/dbraw/zinc/16/63/53/1069166353.db2.gz ALXYKMVCTVJNCT-HUUCEWRRSA-N 1 0 404.533 -0.568 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000475720697 1069166510 /nfs/dbraw/zinc/16/65/10/1069166510.db2.gz ALXYKMVCTVJNCT-LSDHHAIUSA-N 1 0 404.533 -0.568 20 0 HBADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC000475738206 1069168059 /nfs/dbraw/zinc/16/80/59/1069168059.db2.gz PLPSLAJPDRWRBM-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000475744598 1069169611 /nfs/dbraw/zinc/16/96/11/1069169611.db2.gz RNCIXSKCTFEGBM-UHFFFAOYSA-N 1 0 409.575 -0.158 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000475752002 1069191473 /nfs/dbraw/zinc/19/14/73/1069191473.db2.gz YHDKRMCHAXSENH-NRFANRHFSA-N 1 0 408.543 -0.118 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000475752003 1069191539 /nfs/dbraw/zinc/19/15/39/1069191539.db2.gz YHDKRMCHAXSENH-OAQYLSRUSA-N 1 0 408.543 -0.118 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475752032 1069191489 /nfs/dbraw/zinc/19/14/89/1069191489.db2.gz YOXZBRJPDYWLJL-BZSNNMDCSA-N 1 0 407.577 -0.171 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475752033 1069191372 /nfs/dbraw/zinc/19/13/72/1069191372.db2.gz YOXZBRJPDYWLJL-FGTMMUONSA-N 1 0 407.577 -0.171 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475752034 1069191356 /nfs/dbraw/zinc/19/13/56/1069191356.db2.gz YOXZBRJPDYWLJL-KSZLIROESA-N 1 0 407.577 -0.171 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475752035 1069191529 /nfs/dbraw/zinc/19/15/29/1069191529.db2.gz YOXZBRJPDYWLJL-KURKYZTESA-N 1 0 407.577 -0.171 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000475757926 1069171841 /nfs/dbraw/zinc/17/18/41/1069171841.db2.gz HWZYTDGLDXWHOY-JXFKEZNVSA-N 1 0 421.542 -0.160 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000475757927 1069172008 /nfs/dbraw/zinc/17/20/08/1069172008.db2.gz HWZYTDGLDXWHOY-OXJNMPFZSA-N 1 0 421.542 -0.160 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000475757928 1069171774 /nfs/dbraw/zinc/17/17/74/1069171774.db2.gz HWZYTDGLDXWHOY-OXQOHEQNSA-N 1 0 421.542 -0.160 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000475757929 1069171944 /nfs/dbraw/zinc/17/19/44/1069171944.db2.gz HWZYTDGLDXWHOY-UZLBHIALSA-N 1 0 421.542 -0.160 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000475776435 1069175542 /nfs/dbraw/zinc/17/55/42/1069175542.db2.gz DVJDPJIPEGCXJN-ACJLOTCBSA-N 1 0 409.487 -0.942 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000475776438 1069175678 /nfs/dbraw/zinc/17/56/78/1069175678.db2.gz DVJDPJIPEGCXJN-FZKQIMNGSA-N 1 0 409.487 -0.942 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000475776440 1069175843 /nfs/dbraw/zinc/17/58/43/1069175843.db2.gz DVJDPJIPEGCXJN-SCLBCKFNSA-N 1 0 409.487 -0.942 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000475776442 1069176603 /nfs/dbraw/zinc/17/66/03/1069176603.db2.gz DVJDPJIPEGCXJN-UGSOOPFHSA-N 1 0 409.487 -0.942 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000475836729 1069542274 /nfs/dbraw/zinc/54/22/74/1069542274.db2.gz RWGKUDQBLSGWRT-UHFFFAOYSA-N 1 0 401.475 -0.165 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000475836933 1069544471 /nfs/dbraw/zinc/54/44/71/1069544471.db2.gz MLOSWUOJDBLFQX-UHFFFAOYSA-N 1 0 416.486 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000475851971 1069207454 /nfs/dbraw/zinc/20/74/54/1069207454.db2.gz YJFVXJXHHDQCPO-UHFFFAOYSA-N 1 0 401.475 -0.165 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000475862080 1069208168 /nfs/dbraw/zinc/20/81/68/1069208168.db2.gz MBMCEBLVTNUWGS-UHFFFAOYSA-N 1 0 401.475 -0.165 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000475901030 1069217118 /nfs/dbraw/zinc/21/71/18/1069217118.db2.gz XNVNYKIGPBYHMA-UHFFFAOYSA-N 1 0 422.511 -0.147 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)C1 ZINC000476034917 1069361584 /nfs/dbraw/zinc/36/15/84/1069361584.db2.gz QQHCUVHTKTVWLJ-INIZCTEOSA-N 1 0 406.549 -0.211 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)C1 ZINC000476034918 1069361434 /nfs/dbraw/zinc/36/14/34/1069361434.db2.gz QQHCUVHTKTVWLJ-MRXNPFEDSA-N 1 0 406.549 -0.211 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476039590 1069362089 /nfs/dbraw/zinc/36/20/89/1069362089.db2.gz ICJAAVHMXJSHSR-FQEVSTJZSA-N 1 0 423.558 -0.008 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476039591 1069361818 /nfs/dbraw/zinc/36/18/18/1069361818.db2.gz ICJAAVHMXJSHSR-HXUWFJFHSA-N 1 0 423.558 -0.008 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000476039746 1069362206 /nfs/dbraw/zinc/36/22/06/1069362206.db2.gz KFPUKNXQWDHREJ-INIZCTEOSA-N 1 0 405.565 -0.686 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000476039752 1069362137 /nfs/dbraw/zinc/36/21/37/1069362137.db2.gz KFPUKNXQWDHREJ-MRXNPFEDSA-N 1 0 405.565 -0.686 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000476052067 1069363261 /nfs/dbraw/zinc/36/32/61/1069363261.db2.gz CKCGGEDQRVIKSL-KRWDZBQOSA-N 1 0 419.592 -0.296 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000476052079 1069363064 /nfs/dbraw/zinc/36/30/64/1069363064.db2.gz CKCGGEDQRVIKSL-QGZVFWFLSA-N 1 0 419.592 -0.296 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000476054421 1069364078 /nfs/dbraw/zinc/36/40/78/1069364078.db2.gz VGDRYBSBCXAQPI-KRWDZBQOSA-N 1 0 418.560 -0.019 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000476054422 1069364139 /nfs/dbraw/zinc/36/41/39/1069364139.db2.gz VGDRYBSBCXAQPI-QGZVFWFLSA-N 1 0 418.560 -0.019 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cn2)C[C@@H](C)O1 ZINC000476077608 1069365537 /nfs/dbraw/zinc/36/55/37/1069365537.db2.gz FQZUWPOXQXPLBU-BFYDXBDKSA-N 1 0 407.519 -0.114 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cn2)C[C@H](C)O1 ZINC000476077611 1069365596 /nfs/dbraw/zinc/36/55/96/1069365596.db2.gz FQZUWPOXQXPLBU-HLLBOEOZSA-N 1 0 407.519 -0.114 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)cn2)C[C@@H](C)O1 ZINC000476077613 1069365756 /nfs/dbraw/zinc/36/57/56/1069365756.db2.gz FQZUWPOXQXPLBU-INMHGKMJSA-N 1 0 407.519 -0.114 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)cn2)C[C@H](C)O1 ZINC000476077615 1069365487 /nfs/dbraw/zinc/36/54/87/1069365487.db2.gz FQZUWPOXQXPLBU-UXLLHSPISA-N 1 0 407.519 -0.114 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1 ZINC000476080428 1069365716 /nfs/dbraw/zinc/36/57/16/1069365716.db2.gz OSOFGQWUJFIFEW-UHFFFAOYSA-N 1 0 423.518 -0.336 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000476084724 1069366196 /nfs/dbraw/zinc/36/61/96/1069366196.db2.gz INYUOFONIIDBSX-UHFFFAOYSA-N 1 0 421.502 -0.582 20 0 HBADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000476171272 1069374805 /nfs/dbraw/zinc/37/48/05/1069374805.db2.gz XVKRNPDXVQGAAG-UHFFFAOYSA-N 1 0 412.516 -0.327 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)n2)CC1 ZINC000476176534 1069375340 /nfs/dbraw/zinc/37/53/40/1069375340.db2.gz UNHMOPSIXXFOLL-UHFFFAOYSA-N 1 0 420.499 -0.902 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccn1 ZINC000476178611 1069376253 /nfs/dbraw/zinc/37/62/53/1069376253.db2.gz WQTGBVDMGALWIQ-UHFFFAOYSA-N 1 0 417.474 -0.938 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cnn(CC(=O)NCCO)c3)c2)CC1 ZINC000476185022 1069376008 /nfs/dbraw/zinc/37/60/08/1069376008.db2.gz XESOFSPGLFKOPU-UHFFFAOYSA-N 1 0 400.483 -0.009 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)ccn2)CC1 ZINC000476185592 1069375930 /nfs/dbraw/zinc/37/59/30/1069375930.db2.gz ACASEVOOGMVUID-UHFFFAOYSA-N 1 0 420.499 -0.902 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000476189140 1069376598 /nfs/dbraw/zinc/37/65/98/1069376598.db2.gz KGOPQQSTDKJQHH-INIZCTEOSA-N 1 0 403.526 -0.184 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000476189143 1069376696 /nfs/dbraw/zinc/37/66/96/1069376696.db2.gz KGOPQQSTDKJQHH-MRXNPFEDSA-N 1 0 403.526 -0.184 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476220818 1069379041 /nfs/dbraw/zinc/37/90/41/1069379041.db2.gz GYVLIDOARVSLIC-KRWDZBQOSA-N 1 0 407.515 -0.284 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476220819 1069379219 /nfs/dbraw/zinc/37/92/19/1069379219.db2.gz GYVLIDOARVSLIC-QGZVFWFLSA-N 1 0 407.515 -0.284 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476223747 1069379205 /nfs/dbraw/zinc/37/92/05/1069379205.db2.gz MHEBOVRVMBRLHP-IBGZPJMESA-N 1 0 409.531 -0.256 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476223752 1069379102 /nfs/dbraw/zinc/37/91/02/1069379102.db2.gz MHEBOVRVMBRLHP-LJQANCHMSA-N 1 0 409.531 -0.256 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476241146 1069381082 /nfs/dbraw/zinc/38/10/82/1069381082.db2.gz ZGLSPCLSPWYQKL-KRWDZBQOSA-N 1 0 409.531 -0.038 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000476241147 1069380911 /nfs/dbraw/zinc/38/09/11/1069380911.db2.gz ZGLSPCLSPWYQKL-QGZVFWFLSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000476248747 1069380241 /nfs/dbraw/zinc/38/02/41/1069380241.db2.gz FSYJFSMMMWLCPQ-BEFAXECRSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000476248760 1069380397 /nfs/dbraw/zinc/38/03/97/1069380397.db2.gz FSYJFSMMMWLCPQ-DNVCBOLYSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000476248765 1069381671 /nfs/dbraw/zinc/38/16/71/1069381671.db2.gz FSYJFSMMMWLCPQ-HNAYVOBHSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000476248770 1069381456 /nfs/dbraw/zinc/38/14/56/1069381456.db2.gz FSYJFSMMMWLCPQ-KXBFYZLASA-N 1 0 408.499 -0.217 20 0 HBADRO C[NH+](C)CCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000476248961 1069381405 /nfs/dbraw/zinc/38/14/05/1069381405.db2.gz ASPPKSMJATYQJZ-UHFFFAOYSA-N 1 0 400.501 -0.521 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000476267622 1069381505 /nfs/dbraw/zinc/38/15/05/1069381505.db2.gz WESGRNMHJBXYAF-IBGZPJMESA-N 1 0 408.499 -0.075 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000476267623 1069381773 /nfs/dbraw/zinc/38/17/73/1069381773.db2.gz WESGRNMHJBXYAF-LJQANCHMSA-N 1 0 408.499 -0.075 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000476285586 1069382335 /nfs/dbraw/zinc/38/23/35/1069382335.db2.gz JWTYJGXSEVGNQV-UHFFFAOYSA-N 1 0 401.511 -0.099 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476336017 1069383652 /nfs/dbraw/zinc/38/36/52/1069383652.db2.gz UTHLYOHVBWOJNE-GOSISDBHSA-N 1 0 410.515 -0.047 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476336020 1069383341 /nfs/dbraw/zinc/38/33/41/1069383341.db2.gz UTHLYOHVBWOJNE-SFHVURJKSA-N 1 0 410.515 -0.047 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000476373512 1069394527 /nfs/dbraw/zinc/39/45/27/1069394527.db2.gz FCADKVXGXHUEQW-BEFAXECRSA-N 1 0 410.515 -0.045 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000476373516 1069394709 /nfs/dbraw/zinc/39/47/09/1069394709.db2.gz FCADKVXGXHUEQW-DNVCBOLYSA-N 1 0 410.515 -0.045 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000476373518 1069394551 /nfs/dbraw/zinc/39/45/51/1069394551.db2.gz FCADKVXGXHUEQW-HNAYVOBHSA-N 1 0 410.515 -0.045 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000476373520 1069394592 /nfs/dbraw/zinc/39/45/92/1069394592.db2.gz FCADKVXGXHUEQW-KXBFYZLASA-N 1 0 410.515 -0.045 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCOCC[NH+](C)C)CC2)cc1 ZINC000476380909 1069395602 /nfs/dbraw/zinc/39/56/02/1069395602.db2.gz RXERYAPGWLBPTD-UHFFFAOYSA-N 1 0 412.556 -0.004 20 0 HBADRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nc2c1c(=O)n(C)c(=O)n2C ZINC000476388425 1069398226 /nfs/dbraw/zinc/39/82/26/1069398226.db2.gz DPWVHYQOALSXTJ-AWEZNQCLSA-N 1 0 403.483 -0.093 20 0 HBADRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)nc2c1c(=O)n(C)c(=O)n2C ZINC000476388496 1069398146 /nfs/dbraw/zinc/39/81/46/1069398146.db2.gz DPWVHYQOALSXTJ-CQSZACIVSA-N 1 0 403.483 -0.093 20 0 HBADRO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC000476392911 1069398499 /nfs/dbraw/zinc/39/84/99/1069398499.db2.gz PZNMEHSCERGOOE-AWEZNQCLSA-N 1 0 403.483 -0.093 20 0 HBADRO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC000476392912 1069398729 /nfs/dbraw/zinc/39/87/29/1069398729.db2.gz PZNMEHSCERGOOE-CQSZACIVSA-N 1 0 403.483 -0.093 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476402012 1069399697 /nfs/dbraw/zinc/39/96/97/1069399697.db2.gz CPYVUPOOYXTHNB-CYBMUJFWSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476402013 1069399860 /nfs/dbraw/zinc/39/98/60/1069399860.db2.gz CPYVUPOOYXTHNB-ZDUSSCGKSA-N 1 0 412.512 -0.321 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cn1C ZINC000476404754 1069401223 /nfs/dbraw/zinc/40/12/23/1069401223.db2.gz QVMSLUSFSZAECT-HNNXBMFYSA-N 1 0 401.533 -0.250 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cn1C ZINC000476404755 1069400979 /nfs/dbraw/zinc/40/09/79/1069400979.db2.gz QVMSLUSFSZAECT-OAHLLOKOSA-N 1 0 401.533 -0.250 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1F ZINC000476407445 1069401726 /nfs/dbraw/zinc/40/17/26/1069401726.db2.gz WTQJZAFDOMKWOV-UHFFFAOYSA-N 1 0 404.450 -0.072 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000476410351 1069401197 /nfs/dbraw/zinc/40/11/97/1069401197.db2.gz DXEDVILXCJWRAP-AWEZNQCLSA-N 1 0 412.512 -0.319 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000476410352 1069401260 /nfs/dbraw/zinc/40/12/60/1069401260.db2.gz DXEDVILXCJWRAP-CQSZACIVSA-N 1 0 412.512 -0.319 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476421439 1069403649 /nfs/dbraw/zinc/40/36/49/1069403649.db2.gz CRSWKXOUZHKKBR-DZGCQCFKSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476421440 1069403675 /nfs/dbraw/zinc/40/36/75/1069403675.db2.gz CRSWKXOUZHKKBR-HIFRSBDPSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476421441 1069403851 /nfs/dbraw/zinc/40/38/51/1069403851.db2.gz CRSWKXOUZHKKBR-UKRRQHHQSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476421442 1069403760 /nfs/dbraw/zinc/40/37/60/1069403760.db2.gz CRSWKXOUZHKKBR-ZFWWWQNUSA-N 1 0 412.512 -0.321 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000476422097 1069404376 /nfs/dbraw/zinc/40/43/76/1069404376.db2.gz JPDFSQLFYPUBAD-KBPBESRZSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000476422100 1069404279 /nfs/dbraw/zinc/40/42/79/1069404279.db2.gz JPDFSQLFYPUBAD-KGLIPLIRSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000476422102 1069404468 /nfs/dbraw/zinc/40/44/68/1069404468.db2.gz JPDFSQLFYPUBAD-UONOGXRCSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000476422103 1069404390 /nfs/dbraw/zinc/40/43/90/1069404390.db2.gz JPDFSQLFYPUBAD-ZIAGYGMSSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000476424792 1069406854 /nfs/dbraw/zinc/40/68/54/1069406854.db2.gz HQNJMBMGSYEBQW-CYBMUJFWSA-N 1 0 412.512 -0.321 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000476424793 1069407032 /nfs/dbraw/zinc/40/70/32/1069407032.db2.gz HQNJMBMGSYEBQW-ZDUSSCGKSA-N 1 0 412.512 -0.321 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000476426167 1069407454 /nfs/dbraw/zinc/40/74/54/1069407454.db2.gz UILJCRMPJAMYSN-MRXNPFEDSA-N 1 0 407.496 -0.766 20 0 HBADRO O=C(CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000476430832 1069407485 /nfs/dbraw/zinc/40/74/85/1069407485.db2.gz LBLSUXQWEHXKDV-UHFFFAOYSA-N 1 0 421.542 -0.292 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)nc2n(C)c1=O ZINC000476430875 1069408949 /nfs/dbraw/zinc/40/89/49/1069408949.db2.gz BNXCUZUNAUSYFK-MRXNPFEDSA-N 1 0 423.473 -0.219 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000476436240 1069410724 /nfs/dbraw/zinc/41/07/24/1069410724.db2.gz NUNFKNGSKUDZNI-UHFFFAOYSA-N 1 0 408.507 -0.584 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000476442275 1069411173 /nfs/dbraw/zinc/41/11/73/1069411173.db2.gz FEKIRJNGYXPGFK-UHFFFAOYSA-N 1 0 423.558 -0.046 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000476463717 1069419221 /nfs/dbraw/zinc/41/92/21/1069419221.db2.gz SRXPXQMCWWPVQT-UHFFFAOYSA-N 1 0 413.563 -0.034 20 0 HBADRO Cn1c2ncn(CCC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)c2c(=O)n(C)c1=O ZINC000476467291 1069419866 /nfs/dbraw/zinc/41/98/66/1069419866.db2.gz ZUCAKWFAWKEXIX-AWEZNQCLSA-N 1 0 406.487 -0.823 20 0 HBADRO Cn1c2ncn(CCC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)c2c(=O)n(C)c1=O ZINC000476467292 1069420631 /nfs/dbraw/zinc/42/06/31/1069420631.db2.gz ZUCAKWFAWKEXIX-CQSZACIVSA-N 1 0 406.487 -0.823 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000476490261 1069424430 /nfs/dbraw/zinc/42/44/30/1069424430.db2.gz HKUCDNUAJFIZFX-INIZCTEOSA-N 1 0 418.498 -0.034 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000476490264 1069424449 /nfs/dbraw/zinc/42/44/49/1069424449.db2.gz HKUCDNUAJFIZFX-MRXNPFEDSA-N 1 0 418.498 -0.034 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000476497333 1069427280 /nfs/dbraw/zinc/42/72/80/1069427280.db2.gz TVCXNHSDISBVLE-INIZCTEOSA-N 1 0 418.498 -0.480 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000476497338 1069426982 /nfs/dbraw/zinc/42/69/82/1069426982.db2.gz TVCXNHSDISBVLE-MRXNPFEDSA-N 1 0 418.498 -0.480 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000476510129 1069429054 /nfs/dbraw/zinc/42/90/54/1069429054.db2.gz GKHZAGZQAYLUQW-KRWDZBQOSA-N 1 0 421.542 -0.293 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000476510130 1069429091 /nfs/dbraw/zinc/42/90/91/1069429091.db2.gz GKHZAGZQAYLUQW-QGZVFWFLSA-N 1 0 421.542 -0.293 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)NCC1CC[NH+](CCO)CC1 ZINC000476511822 1069429901 /nfs/dbraw/zinc/42/99/01/1069429901.db2.gz LQMZFDMWIJNVTR-UHFFFAOYSA-N 1 0 405.547 -0.008 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517558 1069431435 /nfs/dbraw/zinc/43/14/35/1069431435.db2.gz ZMHRVQAXJYBYPP-GOSISDBHSA-N 1 0 417.620 -0.126 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517559 1069431539 /nfs/dbraw/zinc/43/15/39/1069431539.db2.gz ZMHRVQAXJYBYPP-SFHVURJKSA-N 1 0 417.620 -0.126 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000476538130 1069439796 /nfs/dbraw/zinc/43/97/96/1069439796.db2.gz DVGUOWHFKUQQJN-CYBMUJFWSA-N 1 0 412.512 -0.585 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000476538135 1069439429 /nfs/dbraw/zinc/43/94/29/1069439429.db2.gz DVGUOWHFKUQQJN-ZDUSSCGKSA-N 1 0 412.512 -0.585 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)S(C)(=O)=O ZINC000476551243 1069444370 /nfs/dbraw/zinc/44/43/70/1069444370.db2.gz XMAAECSJUNGZMB-KRWDZBQOSA-N 1 0 404.577 -0.183 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)S(C)(=O)=O ZINC000476551260 1069444695 /nfs/dbraw/zinc/44/46/95/1069444695.db2.gz XMAAECSJUNGZMB-QGZVFWFLSA-N 1 0 404.577 -0.183 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+](C2CCOCC2)CC1)S(C)(=O)=O ZINC000476561305 1069448283 /nfs/dbraw/zinc/44/82/83/1069448283.db2.gz GWQWNBXUOWUDET-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1)S(C)(=O)=O ZINC000476578625 1069452031 /nfs/dbraw/zinc/45/20/31/1069452031.db2.gz QXDSBUZJOOGHQL-KRWDZBQOSA-N 1 0 404.577 -0.041 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1)S(C)(=O)=O ZINC000476578626 1069451957 /nfs/dbraw/zinc/45/19/57/1069451957.db2.gz QXDSBUZJOOGHQL-QGZVFWFLSA-N 1 0 404.577 -0.041 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)ccc2oc1=O ZINC000476608139 1069458009 /nfs/dbraw/zinc/45/80/09/1069458009.db2.gz HYQFNZKMQXIUKQ-GFCCVEGCSA-N 1 0 404.427 -0.636 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)ccc2oc1=O ZINC000476608142 1069458138 /nfs/dbraw/zinc/45/81/38/1069458138.db2.gz HYQFNZKMQXIUKQ-LBPRGKRZSA-N 1 0 404.427 -0.636 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000476688712 1069476220 /nfs/dbraw/zinc/47/62/20/1069476220.db2.gz LVCHJYLHUCSMTB-CABCVRRESA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000476688713 1069476324 /nfs/dbraw/zinc/47/63/24/1069476324.db2.gz LVCHJYLHUCSMTB-GJZGRUSLSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000476688714 1069476368 /nfs/dbraw/zinc/47/63/68/1069476368.db2.gz LVCHJYLHUCSMTB-HUUCEWRRSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000476688715 1069476815 /nfs/dbraw/zinc/47/68/15/1069476815.db2.gz LVCHJYLHUCSMTB-LSDHHAIUSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000476691684 1069477469 /nfs/dbraw/zinc/47/74/69/1069477469.db2.gz QHHHHALKPABNBY-AWEZNQCLSA-N 1 0 424.523 -0.225 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000476691688 1069477541 /nfs/dbraw/zinc/47/75/41/1069477541.db2.gz QHHHHALKPABNBY-CQSZACIVSA-N 1 0 424.523 -0.225 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000476722296 1069481415 /nfs/dbraw/zinc/48/14/15/1069481415.db2.gz UXZAOKKQNFFMEK-CABCVRRESA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000476722299 1069481306 /nfs/dbraw/zinc/48/13/06/1069481306.db2.gz UXZAOKKQNFFMEK-GJZGRUSLSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000476722302 1069481427 /nfs/dbraw/zinc/48/14/27/1069481427.db2.gz UXZAOKKQNFFMEK-HUUCEWRRSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000476722304 1069481358 /nfs/dbraw/zinc/48/13/58/1069481358.db2.gz UXZAOKKQNFFMEK-LSDHHAIUSA-N 1 0 424.523 -0.367 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723119 1069481330 /nfs/dbraw/zinc/48/13/30/1069481330.db2.gz IMSDBJWNJQPIQD-KBPBESRZSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723120 1069481479 /nfs/dbraw/zinc/48/14/79/1069481479.db2.gz IMSDBJWNJQPIQD-KGLIPLIRSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000476723121 1069481366 /nfs/dbraw/zinc/48/13/66/1069481366.db2.gz IMSDBJWNJQPIQD-UONOGXRCSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723122 1069481293 /nfs/dbraw/zinc/48/12/93/1069481293.db2.gz IMSDBJWNJQPIQD-ZIAGYGMSSA-N 1 0 411.528 -0.796 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000476727642 1069481902 /nfs/dbraw/zinc/48/19/02/1069481902.db2.gz QPLCRJYBBKCZGU-GFCCVEGCSA-N 1 0 408.484 -0.151 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000476727652 1069482010 /nfs/dbraw/zinc/48/20/10/1069482010.db2.gz QPLCRJYBBKCZGU-LBPRGKRZSA-N 1 0 408.484 -0.151 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476732264 1069483038 /nfs/dbraw/zinc/48/30/38/1069483038.db2.gz RDOWDRHFVMUNQT-BEFAXECRSA-N 1 0 409.531 -0.256 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476732271 1069482941 /nfs/dbraw/zinc/48/29/41/1069482941.db2.gz RDOWDRHFVMUNQT-DNVCBOLYSA-N 1 0 409.531 -0.256 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476732273 1069483151 /nfs/dbraw/zinc/48/31/51/1069483151.db2.gz RDOWDRHFVMUNQT-HNAYVOBHSA-N 1 0 409.531 -0.256 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476732274 1069483137 /nfs/dbraw/zinc/48/31/37/1069483137.db2.gz RDOWDRHFVMUNQT-KXBFYZLASA-N 1 0 409.531 -0.256 20 0 HBADRO COCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476737968 1069482962 /nfs/dbraw/zinc/48/29/62/1069482962.db2.gz TYSBMBMDNAKYML-INIZCTEOSA-N 1 0 406.549 -0.115 20 0 HBADRO COCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476737969 1069483171 /nfs/dbraw/zinc/48/31/71/1069483171.db2.gz TYSBMBMDNAKYML-MRXNPFEDSA-N 1 0 406.549 -0.115 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476742079 1069483604 /nfs/dbraw/zinc/48/36/04/1069483604.db2.gz FSVJZTJONNBZQM-CYBMUJFWSA-N 1 0 400.501 -0.511 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476742081 1069483620 /nfs/dbraw/zinc/48/36/20/1069483620.db2.gz FSVJZTJONNBZQM-ZDUSSCGKSA-N 1 0 400.501 -0.511 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000476748097 1069484673 /nfs/dbraw/zinc/48/46/73/1069484673.db2.gz RSWJOBNWWRDANV-AWEZNQCLSA-N 1 0 411.528 -0.794 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000476748098 1069484599 /nfs/dbraw/zinc/48/45/99/1069484599.db2.gz RSWJOBNWWRDANV-CQSZACIVSA-N 1 0 411.528 -0.794 20 0 HBADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000476767114 1069488773 /nfs/dbraw/zinc/48/87/73/1069488773.db2.gz UNRIEOUAZOXSBY-CABCVRRESA-N 1 0 402.561 -0.399 20 0 HBADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000476767118 1069488697 /nfs/dbraw/zinc/48/86/97/1069488697.db2.gz UNRIEOUAZOXSBY-GJZGRUSLSA-N 1 0 402.561 -0.399 20 0 HBADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000476767119 1069488788 /nfs/dbraw/zinc/48/87/88/1069488788.db2.gz UNRIEOUAZOXSBY-HUUCEWRRSA-N 1 0 402.561 -0.399 20 0 HBADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000476767120 1069488686 /nfs/dbraw/zinc/48/86/86/1069488686.db2.gz UNRIEOUAZOXSBY-LSDHHAIUSA-N 1 0 402.561 -0.399 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000476780034 1069491089 /nfs/dbraw/zinc/49/10/89/1069491089.db2.gz QAYVJXDOJGALSK-AWEZNQCLSA-N 1 0 411.528 -0.842 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000476780035 1069490991 /nfs/dbraw/zinc/49/09/91/1069490991.db2.gz QAYVJXDOJGALSK-CQSZACIVSA-N 1 0 411.528 -0.842 20 0 HBADRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000476792081 1069491698 /nfs/dbraw/zinc/49/16/98/1069491698.db2.gz AIWXWIIGXNNXDL-UHFFFAOYSA-N 1 0 424.523 -0.759 20 0 HBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000476804455 1069492951 /nfs/dbraw/zinc/49/29/51/1069492951.db2.gz JVDRFRLJCFVYOH-UHFFFAOYSA-N 1 0 412.512 -0.064 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](C)C1 ZINC000476846064 1069503482 /nfs/dbraw/zinc/50/34/82/1069503482.db2.gz DBGOAODQOWGJGV-NEPJUHHUSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](C)C1 ZINC000476846138 1069503439 /nfs/dbraw/zinc/50/34/39/1069503439.db2.gz DBGOAODQOWGJGV-NWDGAFQWSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](C)C1 ZINC000476846139 1069503251 /nfs/dbraw/zinc/50/32/51/1069503251.db2.gz DBGOAODQOWGJGV-RYUDHWBXSA-N 1 0 412.468 -0.845 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](C)C1 ZINC000476846141 1069503380 /nfs/dbraw/zinc/50/33/80/1069503380.db2.gz DBGOAODQOWGJGV-VXGBXAGGSA-N 1 0 412.468 -0.845 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000476850632 1069504047 /nfs/dbraw/zinc/50/40/47/1069504047.db2.gz DPIIOGBPUGSPLH-CHWSQXEVSA-N 1 0 413.486 -0.222 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000476850661 1069503839 /nfs/dbraw/zinc/50/38/39/1069503839.db2.gz DPIIOGBPUGSPLH-OLZOCXBDSA-N 1 0 413.486 -0.222 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000476850665 1069503998 /nfs/dbraw/zinc/50/39/98/1069503998.db2.gz DPIIOGBPUGSPLH-QWHCGFSZSA-N 1 0 413.486 -0.222 20 0 HBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000476850670 1069504056 /nfs/dbraw/zinc/50/40/56/1069504056.db2.gz DPIIOGBPUGSPLH-STQMWFEESA-N 1 0 413.486 -0.222 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000476859137 1069502850 /nfs/dbraw/zinc/50/28/50/1069502850.db2.gz RLXJPPYHJWLPHG-DLBZAZTESA-N 1 0 404.515 -0.181 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000476859139 1069502915 /nfs/dbraw/zinc/50/29/15/1069502915.db2.gz RLXJPPYHJWLPHG-IAGOWNOFSA-N 1 0 404.515 -0.181 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000476859142 1069502661 /nfs/dbraw/zinc/50/26/61/1069502661.db2.gz RLXJPPYHJWLPHG-IRXDYDNUSA-N 1 0 404.515 -0.181 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000476859144 1069502949 /nfs/dbraw/zinc/50/29/49/1069502949.db2.gz RLXJPPYHJWLPHG-SJORKVTESA-N 1 0 404.515 -0.181 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000476859961 1069506142 /nfs/dbraw/zinc/50/61/42/1069506142.db2.gz YTEBTAFIFHZEIW-NEPJUHHUSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000476859966 1069506196 /nfs/dbraw/zinc/50/61/96/1069506196.db2.gz YTEBTAFIFHZEIW-NWDGAFQWSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000476859969 1069505941 /nfs/dbraw/zinc/50/59/41/1069505941.db2.gz YTEBTAFIFHZEIW-RYUDHWBXSA-N 1 0 403.476 -0.062 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000476859974 1069505994 /nfs/dbraw/zinc/50/59/94/1069505994.db2.gz YTEBTAFIFHZEIW-VXGBXAGGSA-N 1 0 403.476 -0.062 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@@H](C)C1 ZINC000476866147 1069505045 /nfs/dbraw/zinc/50/50/45/1069505045.db2.gz KSVVMMIVEAPWLB-DLBZAZTESA-N 1 0 400.479 -0.028 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](C)C1 ZINC000476866148 1069505153 /nfs/dbraw/zinc/50/51/53/1069505153.db2.gz KSVVMMIVEAPWLB-IAGOWNOFSA-N 1 0 400.479 -0.028 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@@H](C)C1 ZINC000476866149 1069504991 /nfs/dbraw/zinc/50/49/91/1069504991.db2.gz KSVVMMIVEAPWLB-IRXDYDNUSA-N 1 0 400.479 -0.028 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](C)C1 ZINC000476866150 1069504908 /nfs/dbraw/zinc/50/49/08/1069504908.db2.gz KSVVMMIVEAPWLB-SJORKVTESA-N 1 0 400.479 -0.028 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476881517 1069506536 /nfs/dbraw/zinc/50/65/36/1069506536.db2.gz KKEVFLKCLAUECZ-AUUYWEPGSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476881518 1069506636 /nfs/dbraw/zinc/50/66/36/1069506636.db2.gz KKEVFLKCLAUECZ-IFXJQAMLSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476881519 1069506570 /nfs/dbraw/zinc/50/65/70/1069506570.db2.gz KKEVFLKCLAUECZ-KUHUBIRLSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476881520 1069506660 /nfs/dbraw/zinc/50/66/60/1069506660.db2.gz KKEVFLKCLAUECZ-LIRRHRJNSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@@H]1CN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1CC(C)(C)O ZINC000476916535 1069512904 /nfs/dbraw/zinc/51/29/04/1069512904.db2.gz NFZPFAVBSJARNL-AUUYWEPGSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@H]1CN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1CC(C)(C)O ZINC000476916538 1069512838 /nfs/dbraw/zinc/51/28/38/1069512838.db2.gz NFZPFAVBSJARNL-IFXJQAMLSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1CC(C)(C)O ZINC000476916541 1069512799 /nfs/dbraw/zinc/51/27/99/1069512799.db2.gz NFZPFAVBSJARNL-KUHUBIRLSA-N 1 0 410.515 -0.094 20 0 HBADRO C[C@H]1CN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1CC(C)(C)O ZINC000476916546 1069512752 /nfs/dbraw/zinc/51/27/52/1069512752.db2.gz NFZPFAVBSJARNL-LIRRHRJNSA-N 1 0 410.515 -0.094 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000476948993 1069516220 /nfs/dbraw/zinc/51/62/20/1069516220.db2.gz DXWFGOWRHBUEFD-AWEZNQCLSA-N 1 0 408.503 -0.262 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000476948995 1069516350 /nfs/dbraw/zinc/51/63/50/1069516350.db2.gz DXWFGOWRHBUEFD-CQSZACIVSA-N 1 0 408.503 -0.262 20 0 HBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000476976479 1069523520 /nfs/dbraw/zinc/52/35/20/1069523520.db2.gz VGIFNRGAOBNBGG-CYBMUJFWSA-N 1 0 412.512 -0.065 20 0 HBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000476976480 1069523421 /nfs/dbraw/zinc/52/34/21/1069523421.db2.gz VGIFNRGAOBNBGG-ZDUSSCGKSA-N 1 0 412.512 -0.065 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NCC1CC[NH+](CCO)CC1 ZINC000476980288 1069523931 /nfs/dbraw/zinc/52/39/31/1069523931.db2.gz HYDRRUOORQNQCC-INIZCTEOSA-N 1 0 406.549 -0.522 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NCC1CC[NH+](CCO)CC1 ZINC000476980289 1069524049 /nfs/dbraw/zinc/52/40/49/1069524049.db2.gz HYDRRUOORQNQCC-MRXNPFEDSA-N 1 0 406.549 -0.522 20 0 HBADRO Cn1c2[nH]c(CCC(=O)NCc3ccnc(OCC[NH+](C)C)c3)nc2c(=O)[nH]c1=O ZINC000476982700 1069525592 /nfs/dbraw/zinc/52/55/92/1069525592.db2.gz SVLAJDSROFOXMT-UHFFFAOYSA-N 1 0 415.454 -0.053 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476985149 1069525630 /nfs/dbraw/zinc/52/56/30/1069525630.db2.gz BQGFNCKJLKPHFO-DLBZAZTESA-N 1 0 420.576 -0.133 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476985159 1069525581 /nfs/dbraw/zinc/52/55/81/1069525581.db2.gz BQGFNCKJLKPHFO-IAGOWNOFSA-N 1 0 420.576 -0.133 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476985161 1069525604 /nfs/dbraw/zinc/52/56/04/1069525604.db2.gz BQGFNCKJLKPHFO-IRXDYDNUSA-N 1 0 420.576 -0.133 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476985163 1069525693 /nfs/dbraw/zinc/52/56/93/1069525693.db2.gz BQGFNCKJLKPHFO-SJORKVTESA-N 1 0 420.576 -0.133 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+](C3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000477001296 1069527400 /nfs/dbraw/zinc/52/74/00/1069527400.db2.gz LIMRQSHEQHRHGB-UHFFFAOYSA-N 1 0 407.515 -0.236 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)ccn1 ZINC000477005719 1069528481 /nfs/dbraw/zinc/52/84/81/1069528481.db2.gz JXAHEBJMBVPMIF-UHFFFAOYSA-N 1 0 424.483 -0.956 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477005783 1069577575 /nfs/dbraw/zinc/57/75/75/1069577575.db2.gz KHSYTVYQIFCKJR-INIZCTEOSA-N 1 0 419.530 -0.522 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477005786 1069577898 /nfs/dbraw/zinc/57/78/98/1069577898.db2.gz KHSYTVYQIFCKJR-MRXNPFEDSA-N 1 0 419.530 -0.522 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000477008407 1069526204 /nfs/dbraw/zinc/52/62/04/1069526204.db2.gz BMDRBJRUYHAFFN-UHFFFAOYSA-N 1 0 401.510 -0.589 20 0 HBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477008983 1069526632 /nfs/dbraw/zinc/52/66/32/1069526632.db2.gz YHAMZJSAYJAJEC-UHFFFAOYSA-N 1 0 418.585 -0.090 20 0 HBADRO C[NH+](C)C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCOCC1 ZINC000477011047 1069527005 /nfs/dbraw/zinc/52/70/05/1069527005.db2.gz KTFHUDSBFZXJTL-UHFFFAOYSA-N 1 0 405.542 -0.005 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477016338 1069529084 /nfs/dbraw/zinc/52/90/84/1069529084.db2.gz AJIKJWXJYUHJBG-CVEARBPZSA-N 1 0 406.549 -0.115 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477016339 1069528902 /nfs/dbraw/zinc/52/89/02/1069528902.db2.gz AJIKJWXJYUHJBG-HOTGVXAUSA-N 1 0 406.549 -0.115 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477016340 1069528873 /nfs/dbraw/zinc/52/88/73/1069528873.db2.gz AJIKJWXJYUHJBG-HZPDHXFCSA-N 1 0 406.549 -0.115 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477016341 1069528980 /nfs/dbraw/zinc/52/89/80/1069528980.db2.gz AJIKJWXJYUHJBG-JKSUJKDBSA-N 1 0 406.549 -0.115 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477020170 1069530096 /nfs/dbraw/zinc/53/00/96/1069530096.db2.gz LONAGUARLIFZHU-CVEARBPZSA-N 1 0 405.565 -0.590 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477020172 1069530046 /nfs/dbraw/zinc/53/00/46/1069530046.db2.gz LONAGUARLIFZHU-HOTGVXAUSA-N 1 0 405.565 -0.590 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477020174 1069530202 /nfs/dbraw/zinc/53/02/02/1069530202.db2.gz LONAGUARLIFZHU-HZPDHXFCSA-N 1 0 405.565 -0.590 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477020175 1069529958 /nfs/dbraw/zinc/52/99/58/1069529958.db2.gz LONAGUARLIFZHU-JKSUJKDBSA-N 1 0 405.565 -0.590 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000477026936 1069528463 /nfs/dbraw/zinc/52/84/63/1069528463.db2.gz SFQPRPVARFAFTQ-HNNXBMFYSA-N 1 0 404.558 -0.480 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000477026937 1069529066 /nfs/dbraw/zinc/52/90/66/1069529066.db2.gz SFQPRPVARFAFTQ-OAHLLOKOSA-N 1 0 404.558 -0.480 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000477027231 1069580523 /nfs/dbraw/zinc/58/05/23/1069580523.db2.gz JZCFRWMOGLROIJ-AWEZNQCLSA-N 1 0 402.503 -0.142 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000477027243 1069580375 /nfs/dbraw/zinc/58/03/75/1069580375.db2.gz JZCFRWMOGLROIJ-CQSZACIVSA-N 1 0 402.503 -0.142 20 0 HBADRO CNc1nc(NCc2ccnc3ccnn32)nc(NCc2ccnc3ccnn32)[nH+]1 ZINC000477032073 1069531542 /nfs/dbraw/zinc/53/15/42/1069531542.db2.gz ICXIRHXQEPXGCH-UHFFFAOYSA-N 1 0 402.426 -0.511 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000477032748 1069583011 /nfs/dbraw/zinc/58/30/11/1069583011.db2.gz KKMOZJBRVSCJIW-CVEARBPZSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000477032750 1069582901 /nfs/dbraw/zinc/58/29/01/1069582901.db2.gz KKMOZJBRVSCJIW-HOTGVXAUSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000477032751 1069582969 /nfs/dbraw/zinc/58/29/69/1069582969.db2.gz KKMOZJBRVSCJIW-HZPDHXFCSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000477032752 1069582916 /nfs/dbraw/zinc/58/29/16/1069582916.db2.gz KKMOZJBRVSCJIW-JKSUJKDBSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000477033940 1069583511 /nfs/dbraw/zinc/58/35/11/1069583511.db2.gz OAIPJAPKWNWFSE-AWEZNQCLSA-N 1 0 415.516 -0.505 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000477033942 1069583587 /nfs/dbraw/zinc/58/35/87/1069583587.db2.gz OAIPJAPKWNWFSE-CQSZACIVSA-N 1 0 415.516 -0.505 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000477057526 1069586051 /nfs/dbraw/zinc/58/60/51/1069586051.db2.gz NZZPPFYTMRWCMM-DLBZAZTESA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000477057533 1069586167 /nfs/dbraw/zinc/58/61/67/1069586167.db2.gz NZZPPFYTMRWCMM-IAGOWNOFSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000477057534 1069586546 /nfs/dbraw/zinc/58/65/46/1069586546.db2.gz NZZPPFYTMRWCMM-IRXDYDNUSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000477057535 1069586676 /nfs/dbraw/zinc/58/66/76/1069586676.db2.gz NZZPPFYTMRWCMM-SJORKVTESA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000477065338 1069588447 /nfs/dbraw/zinc/58/84/47/1069588447.db2.gz LCDGNGITIXURTJ-AWEZNQCLSA-N 1 0 408.503 -0.666 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000477065349 1069588570 /nfs/dbraw/zinc/58/85/70/1069588570.db2.gz LCDGNGITIXURTJ-CQSZACIVSA-N 1 0 408.503 -0.666 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000477084794 1069589056 /nfs/dbraw/zinc/58/90/56/1069589056.db2.gz RTCDIYXYLSRGNA-HNNXBMFYSA-N 1 0 417.510 -0.279 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000477084795 1069589651 /nfs/dbraw/zinc/58/96/51/1069589651.db2.gz RTCDIYXYLSRGNA-OAHLLOKOSA-N 1 0 417.510 -0.279 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477085420 1069535747 /nfs/dbraw/zinc/53/57/47/1069535747.db2.gz NYYKZJOJSOJROK-KRWDZBQOSA-N 1 0 419.530 -0.075 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477085421 1069535622 /nfs/dbraw/zinc/53/56/22/1069535622.db2.gz NYYKZJOJSOJROK-QGZVFWFLSA-N 1 0 419.530 -0.075 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000477093497 1069589564 /nfs/dbraw/zinc/58/95/64/1069589564.db2.gz DKVOINVVXBULCF-INIZCTEOSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000477093499 1069589628 /nfs/dbraw/zinc/58/96/28/1069589628.db2.gz DKVOINVVXBULCF-MRXNPFEDSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000477097885 1069589639 /nfs/dbraw/zinc/58/96/39/1069589639.db2.gz IVGCLEGMXAAJDC-CVEARBPZSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000477097888 1069589617 /nfs/dbraw/zinc/58/96/17/1069589617.db2.gz IVGCLEGMXAAJDC-HOTGVXAUSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000477097891 1069589607 /nfs/dbraw/zinc/58/96/07/1069589607.db2.gz IVGCLEGMXAAJDC-HZPDHXFCSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000477097893 1069589719 /nfs/dbraw/zinc/58/97/19/1069589719.db2.gz IVGCLEGMXAAJDC-JKSUJKDBSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000477098198 1069589733 /nfs/dbraw/zinc/58/97/33/1069589733.db2.gz JJNAQSJQBHYZKM-HNNXBMFYSA-N 1 0 411.528 -0.239 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000477098201 1069589681 /nfs/dbraw/zinc/58/96/81/1069589681.db2.gz JJNAQSJQBHYZKM-OAHLLOKOSA-N 1 0 411.528 -0.239 20 0 HBADRO O=C(CCNC(=O)NCC1CC[NH+](CCO)CC1)N1CCN(c2ncccn2)CC1 ZINC000477105566 1069536810 /nfs/dbraw/zinc/53/68/10/1069536810.db2.gz DLQLOKVJMZWGQT-UHFFFAOYSA-N 1 0 419.530 -0.481 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000477110156 1069538154 /nfs/dbraw/zinc/53/81/54/1069538154.db2.gz CRNQTVHBOLPKDV-HNNXBMFYSA-N 1 0 409.487 -0.900 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000477110157 1069538220 /nfs/dbraw/zinc/53/82/20/1069538220.db2.gz CRNQTVHBOLPKDV-OAHLLOKOSA-N 1 0 409.487 -0.900 20 0 HBADRO C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000477123702 1069538681 /nfs/dbraw/zinc/53/86/81/1069538681.db2.gz DPIDIHUHADHSHV-HNNXBMFYSA-N 1 0 410.606 -0.539 20 0 HBADRO C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000477123703 1069538747 /nfs/dbraw/zinc/53/87/47/1069538747.db2.gz DPIDIHUHADHSHV-OAHLLOKOSA-N 1 0 410.606 -0.539 20 0 HBADRO CC(C)[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000477124756 1069538772 /nfs/dbraw/zinc/53/87/72/1069538772.db2.gz FIOPBLNEXMXKKN-KRWDZBQOSA-N 1 0 424.633 -0.151 20 0 HBADRO CC(C)[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000477124757 1069539174 /nfs/dbraw/zinc/53/91/74/1069539174.db2.gz FIOPBLNEXMXKKN-QGZVFWFLSA-N 1 0 424.633 -0.151 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477139068 1069539680 /nfs/dbraw/zinc/53/96/80/1069539680.db2.gz QPUOBBFXGUCINP-UHFFFAOYSA-N 1 0 410.606 -0.443 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000477184671 1069544957 /nfs/dbraw/zinc/54/49/57/1069544957.db2.gz FJNDPPJEAALSKY-INIZCTEOSA-N 1 0 419.548 -0.999 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000477184672 1069544882 /nfs/dbraw/zinc/54/48/82/1069544882.db2.gz FJNDPPJEAALSKY-MRXNPFEDSA-N 1 0 419.548 -0.999 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000477190796 1069544171 /nfs/dbraw/zinc/54/41/71/1069544171.db2.gz HXQRGMHNETZZPT-UHFFFAOYSA-N 1 0 413.544 -0.206 20 0 HBADRO C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)([NH+](C)C)C1 ZINC000477212636 1069547435 /nfs/dbraw/zinc/54/74/35/1069547435.db2.gz BLIDISOPIDHAFR-BTYIYWSLSA-N 1 0 421.542 -0.438 20 0 HBADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)([NH+](C)C)C1 ZINC000477212637 1069547343 /nfs/dbraw/zinc/54/73/43/1069547343.db2.gz BLIDISOPIDHAFR-QVKFZJNVSA-N 1 0 421.542 -0.438 20 0 HBADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)([NH+](C)C)C1 ZINC000477212638 1069547874 /nfs/dbraw/zinc/54/78/74/1069547874.db2.gz BLIDISOPIDHAFR-VFNWGFHPSA-N 1 0 421.542 -0.438 20 0 HBADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)([NH+](C)C)C1 ZINC000477212639 1069546788 /nfs/dbraw/zinc/54/67/88/1069546788.db2.gz BLIDISOPIDHAFR-YCRPNKLZSA-N 1 0 421.542 -0.438 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000477231431 1069548817 /nfs/dbraw/zinc/54/88/17/1069548817.db2.gz YKWHDRBNIGEDSS-UHFFFAOYSA-N 1 0 413.544 -0.206 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477277435 1069555334 /nfs/dbraw/zinc/55/53/34/1069555334.db2.gz IXCBDLFNXQJOGZ-IBGZPJMESA-N 1 0 409.531 -0.254 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477277436 1069555462 /nfs/dbraw/zinc/55/54/62/1069555462.db2.gz IXCBDLFNXQJOGZ-LJQANCHMSA-N 1 0 409.531 -0.254 20 0 HBADRO C[C@H](CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000477365912 1069564473 /nfs/dbraw/zinc/56/44/73/1069564473.db2.gz MOQFHFSYMOUVOC-BEFAXECRSA-N 1 0 409.531 -0.398 20 0 HBADRO C[C@H](CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000477365913 1069564558 /nfs/dbraw/zinc/56/45/58/1069564558.db2.gz MOQFHFSYMOUVOC-DNVCBOLYSA-N 1 0 409.531 -0.398 20 0 HBADRO C[C@@H](CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000477365914 1069564639 /nfs/dbraw/zinc/56/46/39/1069564639.db2.gz MOQFHFSYMOUVOC-HNAYVOBHSA-N 1 0 409.531 -0.398 20 0 HBADRO C[C@@H](CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCN(C)CC1 ZINC000477365915 1069564366 /nfs/dbraw/zinc/56/43/66/1069564366.db2.gz MOQFHFSYMOUVOC-KXBFYZLASA-N 1 0 409.531 -0.398 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477368176 1069565536 /nfs/dbraw/zinc/56/55/36/1069565536.db2.gz VLNWPQTYVAPQKP-IBGZPJMESA-N 1 0 409.531 -0.302 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477368177 1069565662 /nfs/dbraw/zinc/56/56/62/1069565662.db2.gz VLNWPQTYVAPQKP-LJQANCHMSA-N 1 0 409.531 -0.302 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000477372790 1069565712 /nfs/dbraw/zinc/56/57/12/1069565712.db2.gz MCHLCVBJGQBMIG-BEFAXECRSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000477372795 1069565586 /nfs/dbraw/zinc/56/55/86/1069565586.db2.gz MCHLCVBJGQBMIG-DNVCBOLYSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477372802 1069566106 /nfs/dbraw/zinc/56/61/06/1069566106.db2.gz MCHLCVBJGQBMIG-HNAYVOBHSA-N 1 0 408.499 -0.217 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477372811 1069566156 /nfs/dbraw/zinc/56/61/56/1069566156.db2.gz MCHLCVBJGQBMIG-KXBFYZLASA-N 1 0 408.499 -0.217 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477373118 1069566115 /nfs/dbraw/zinc/56/61/15/1069566115.db2.gz NAPAPMSAANXXJT-JXFKEZNVSA-N 1 0 423.558 -0.008 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477373119 1069565973 /nfs/dbraw/zinc/56/59/73/1069565973.db2.gz NAPAPMSAANXXJT-OXJNMPFZSA-N 1 0 423.558 -0.008 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477373120 1069566138 /nfs/dbraw/zinc/56/61/38/1069566138.db2.gz NAPAPMSAANXXJT-OXQOHEQNSA-N 1 0 423.558 -0.008 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477373121 1069566016 /nfs/dbraw/zinc/56/60/16/1069566016.db2.gz NAPAPMSAANXXJT-UZLBHIALSA-N 1 0 423.558 -0.008 20 0 HBADRO O=C(NCc1cccc(N2CCOCC2)n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000477381410 1069566686 /nfs/dbraw/zinc/56/66/86/1069566686.db2.gz OZKVLENMZBCMOK-KRWDZBQOSA-N 1 0 417.510 -0.285 20 0 HBADRO O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000477381419 1069566592 /nfs/dbraw/zinc/56/65/92/1069566592.db2.gz OZKVLENMZBCMOK-QGZVFWFLSA-N 1 0 417.510 -0.285 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000477400101 1069569643 /nfs/dbraw/zinc/56/96/43/1069569643.db2.gz AOSDIRLWYGKTLS-UHFFFAOYSA-N 1 0 413.544 -0.206 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477408733 1069570052 /nfs/dbraw/zinc/57/00/52/1069570052.db2.gz XQPUFRLDHNPYAK-IBGZPJMESA-N 1 0 410.515 -0.093 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477408739 1069570039 /nfs/dbraw/zinc/57/00/39/1069570039.db2.gz XQPUFRLDHNPYAK-LJQANCHMSA-N 1 0 410.515 -0.093 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c(=O)n2C ZINC000477410659 1069570591 /nfs/dbraw/zinc/57/05/91/1069570591.db2.gz HMIHIRVYOFOIOM-UHFFFAOYSA-N 1 0 402.430 -0.049 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)c2c(=O)n(C)c1=O ZINC000477416249 1069571646 /nfs/dbraw/zinc/57/16/46/1069571646.db2.gz ULEJZVVAOGBHKW-UHFFFAOYSA-N 1 0 402.430 -0.049 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477421319 1069570307 /nfs/dbraw/zinc/57/03/07/1069570307.db2.gz BFHIRWWQOKEZRS-UHFFFAOYSA-N 1 0 406.549 -0.657 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000477432086 1069572977 /nfs/dbraw/zinc/57/29/77/1069572977.db2.gz QAXGDOVXESCCNV-UHFFFAOYSA-N 1 0 404.533 -0.903 20 0 HBADRO CN(CC(=O)N1CCOCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000477448911 1069572566 /nfs/dbraw/zinc/57/25/66/1069572566.db2.gz YEZHQLDARUTFCY-UHFFFAOYSA-N 1 0 419.530 -0.121 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000477461855 1069573506 /nfs/dbraw/zinc/57/35/06/1069573506.db2.gz PXOFOGIHDWDCDU-KRWDZBQOSA-N 1 0 404.577 -0.041 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000477461856 1069573470 /nfs/dbraw/zinc/57/34/70/1069573470.db2.gz PXOFOGIHDWDCDU-QGZVFWFLSA-N 1 0 404.577 -0.041 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000477463801 1069573857 /nfs/dbraw/zinc/57/38/57/1069573857.db2.gz AVKKKYHRROUPHG-AWEZNQCLSA-N 1 0 407.562 -0.379 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000477463802 1069573916 /nfs/dbraw/zinc/57/39/16/1069573916.db2.gz AVKKKYHRROUPHG-CQSZACIVSA-N 1 0 407.562 -0.379 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000477469229 1069574293 /nfs/dbraw/zinc/57/42/93/1069574293.db2.gz HIOUJHNTWSBABM-CVEARBPZSA-N 1 0 411.590 -0.045 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000477469230 1069574303 /nfs/dbraw/zinc/57/43/03/1069574303.db2.gz HIOUJHNTWSBABM-HOTGVXAUSA-N 1 0 411.590 -0.045 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000477469231 1069574411 /nfs/dbraw/zinc/57/44/11/1069574411.db2.gz HIOUJHNTWSBABM-HZPDHXFCSA-N 1 0 411.590 -0.045 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000477469232 1069574447 /nfs/dbraw/zinc/57/44/47/1069574447.db2.gz HIOUJHNTWSBABM-JKSUJKDBSA-N 1 0 411.590 -0.045 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477470155 1069575284 /nfs/dbraw/zinc/57/52/84/1069575284.db2.gz SLNJNFBMYYKNGP-UHFFFAOYSA-N 1 0 411.590 -0.187 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000477471831 1069575326 /nfs/dbraw/zinc/57/53/26/1069575326.db2.gz RJZVSOQQXGKFTG-UHFFFAOYSA-N 1 0 404.577 -0.183 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000477473066 1069575356 /nfs/dbraw/zinc/57/53/56/1069575356.db2.gz WAZVNZADAIOBJE-KRWDZBQOSA-N 1 0 419.569 -0.046 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000477473068 1069575392 /nfs/dbraw/zinc/57/53/92/1069575392.db2.gz WAZVNZADAIOBJE-QGZVFWFLSA-N 1 0 419.569 -0.046 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000477473281 1069575352 /nfs/dbraw/zinc/57/53/52/1069575352.db2.gz HFFMGXDZDCPEKK-AWEZNQCLSA-N 1 0 407.562 -0.236 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000477473290 1069575339 /nfs/dbraw/zinc/57/53/39/1069575339.db2.gz HFFMGXDZDCPEKK-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000477473922 1069575320 /nfs/dbraw/zinc/57/53/20/1069575320.db2.gz ILJADHNMBZYTJO-UHFFFAOYSA-N 1 0 414.576 -0.154 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000477474450 1069575336 /nfs/dbraw/zinc/57/53/36/1069575336.db2.gz JSMNDSIAFGEHTO-UHFFFAOYSA-N 1 0 408.546 -0.277 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000477475644 1069575311 /nfs/dbraw/zinc/57/53/11/1069575311.db2.gz LERXRRHIVTYNTF-UHFFFAOYSA-N 1 0 406.549 -0.610 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000477476203 1069575788 /nfs/dbraw/zinc/57/57/88/1069575788.db2.gz OFZDBYRBMORXLT-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000477478238 1069575832 /nfs/dbraw/zinc/57/58/32/1069575832.db2.gz SIXSUPLYECMWSE-HNNXBMFYSA-N 1 0 404.533 -0.904 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000477478300 1069575810 /nfs/dbraw/zinc/57/58/10/1069575810.db2.gz SIXSUPLYECMWSE-OAHLLOKOSA-N 1 0 404.533 -0.904 20 0 HBADRO CN(C)C(=O)CCN1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477479281 1069575726 /nfs/dbraw/zinc/57/57/26/1069575726.db2.gz VQMWBONEJLLABD-UHFFFAOYSA-N 1 0 424.589 -0.916 20 0 HBADRO COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000477484388 1069576299 /nfs/dbraw/zinc/57/62/99/1069576299.db2.gz XSZQARZJZFMNKX-HNNXBMFYSA-N 1 0 402.517 -0.004 20 0 HBADRO COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000477484389 1069576248 /nfs/dbraw/zinc/57/62/48/1069576248.db2.gz XSZQARZJZFMNKX-OAHLLOKOSA-N 1 0 402.517 -0.004 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000477488137 1069574799 /nfs/dbraw/zinc/57/47/99/1069574799.db2.gz LOMZVBCLKHCKPU-CABCVRRESA-N 1 0 401.533 -0.024 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000477488138 1069574940 /nfs/dbraw/zinc/57/49/40/1069574940.db2.gz LOMZVBCLKHCKPU-GJZGRUSLSA-N 1 0 401.533 -0.024 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000477488139 1069574861 /nfs/dbraw/zinc/57/48/61/1069574861.db2.gz LOMZVBCLKHCKPU-HUUCEWRRSA-N 1 0 401.533 -0.024 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000477488140 1069574792 /nfs/dbraw/zinc/57/47/92/1069574792.db2.gz LOMZVBCLKHCKPU-LSDHHAIUSA-N 1 0 401.533 -0.024 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000477490258 1069577716 /nfs/dbraw/zinc/57/77/16/1069577716.db2.gz RQDJQYBHOCBMAG-LBPRGKRZSA-N 1 0 407.562 -0.284 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000477501026 1069578598 /nfs/dbraw/zinc/57/85/98/1069578598.db2.gz QWQGRSSWLUONGI-AWEZNQCLSA-N 1 0 403.526 -0.280 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000477501027 1069578766 /nfs/dbraw/zinc/57/87/66/1069578766.db2.gz QWQGRSSWLUONGI-CQSZACIVSA-N 1 0 403.526 -0.280 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000477503202 1069576774 /nfs/dbraw/zinc/57/67/74/1069576774.db2.gz YAWWXPSCUWGZQU-HNNXBMFYSA-N 1 0 400.549 -0.320 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000477503204 1069576621 /nfs/dbraw/zinc/57/66/21/1069576621.db2.gz YAWWXPSCUWGZQU-OAHLLOKOSA-N 1 0 400.549 -0.320 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000477503249 1069576795 /nfs/dbraw/zinc/57/67/95/1069576795.db2.gz NLLNOLIYBMKQEG-UHFFFAOYSA-N 1 0 422.507 -0.270 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000477524701 1069580270 /nfs/dbraw/zinc/58/02/70/1069580270.db2.gz WUIFVNWJJOROKQ-UHFFFAOYSA-N 1 0 407.562 -0.236 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000477524974 1069580751 /nfs/dbraw/zinc/58/07/51/1069580751.db2.gz MHHKMLPSIICTJW-UHFFFAOYSA-N 1 0 420.514 -0.199 20 0 HBADRO CC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(=O)N1CCOCC1 ZINC000477568184 1069586149 /nfs/dbraw/zinc/58/61/49/1069586149.db2.gz JCWCUPNJDUHJDL-HNNXBMFYSA-N 1 0 401.533 -0.023 20 0 HBADRO CC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(=O)N1CCOCC1 ZINC000477568185 1069586237 /nfs/dbraw/zinc/58/62/37/1069586237.db2.gz JCWCUPNJDUHJDL-OAHLLOKOSA-N 1 0 401.533 -0.023 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000477577941 1069585741 /nfs/dbraw/zinc/58/57/41/1069585741.db2.gz HTEOFUPADQEIAO-UHFFFAOYSA-N 1 0 423.543 -0.334 20 0 HBADRO COCn1nc(C)c(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1C ZINC000477582940 1069586539 /nfs/dbraw/zinc/58/65/39/1069586539.db2.gz JKGFOURKSNVTRB-UHFFFAOYSA-N 1 0 403.549 -0.228 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000477587402 1069587437 /nfs/dbraw/zinc/58/74/37/1069587437.db2.gz FHVNPRXUSSYAKP-UHFFFAOYSA-N 1 0 414.576 -0.108 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000477588710 1069587340 /nfs/dbraw/zinc/58/73/40/1069587340.db2.gz NLLNKSQKBWVZQD-UHFFFAOYSA-N 1 0 400.549 -0.368 20 0 HBADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477591553 1069589974 /nfs/dbraw/zinc/58/99/74/1069589974.db2.gz NTSPQJSDKSSMOE-UHFFFAOYSA-N 1 0 411.590 -0.234 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000477592415 1069589904 /nfs/dbraw/zinc/58/99/04/1069589904.db2.gz NVLZHKDUTVWBSP-KRWDZBQOSA-N 1 0 403.549 -0.577 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000477592419 1069589682 /nfs/dbraw/zinc/58/96/82/1069589682.db2.gz NVLZHKDUTVWBSP-QGZVFWFLSA-N 1 0 403.549 -0.577 20 0 HBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477595519 1069590428 /nfs/dbraw/zinc/59/04/28/1069590428.db2.gz AHBBDHCSKOMJTA-UHFFFAOYSA-N 1 0 410.606 -0.397 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000477597201 1069586159 /nfs/dbraw/zinc/58/61/59/1069586159.db2.gz BKRVSGKEYKHALZ-UHFFFAOYSA-N 1 0 409.516 -0.167 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477600148 1069590986 /nfs/dbraw/zinc/59/09/86/1069590986.db2.gz SYERAODEVOMLNU-AWEZNQCLSA-N 1 0 414.532 -0.923 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477600151 1069590930 /nfs/dbraw/zinc/59/09/30/1069590930.db2.gz SYERAODEVOMLNU-CQSZACIVSA-N 1 0 414.532 -0.923 20 0 HBADRO COC1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCCCC1 ZINC000477602554 1069590909 /nfs/dbraw/zinc/59/09/09/1069590909.db2.gz PWGXPTJFFQQCIL-UHFFFAOYSA-N 1 0 408.503 -0.035 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000477605499 1069591496 /nfs/dbraw/zinc/59/14/96/1069591496.db2.gz HOCGYKYQUVWHRG-INIZCTEOSA-N 1 0 403.549 -0.625 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000477605500 1069591516 /nfs/dbraw/zinc/59/15/16/1069591516.db2.gz HOCGYKYQUVWHRG-MRXNPFEDSA-N 1 0 403.549 -0.625 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000477615405 1069593713 /nfs/dbraw/zinc/59/37/13/1069593713.db2.gz LGXRLSREYNFTBI-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000477615488 1069594353 /nfs/dbraw/zinc/59/43/53/1069594353.db2.gz LMFSTWBYRIVVGC-UHFFFAOYSA-N 1 0 418.498 -0.944 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477616573 1069594524 /nfs/dbraw/zinc/59/45/24/1069594524.db2.gz NYBUKBYWWCADIF-UHFFFAOYSA-N 1 0 411.547 -0.774 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000477617614 1069594456 /nfs/dbraw/zinc/59/44/56/1069594456.db2.gz RYTDIQLRQSKLDH-INIZCTEOSA-N 1 0 416.544 -0.760 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000477617616 1069594160 /nfs/dbraw/zinc/59/41/60/1069594160.db2.gz RYTDIQLRQSKLDH-MRXNPFEDSA-N 1 0 416.544 -0.760 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000477619596 1069594500 /nfs/dbraw/zinc/59/45/00/1069594500.db2.gz YRUKSLSJXXOSPO-UHFFFAOYSA-N 1 0 403.483 -0.407 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477623880 1069593224 /nfs/dbraw/zinc/59/32/24/1069593224.db2.gz BNXQKFDMXPOGCJ-INIZCTEOSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477623881 1069593109 /nfs/dbraw/zinc/59/31/09/1069593109.db2.gz BNXQKFDMXPOGCJ-MRXNPFEDSA-N 1 0 411.547 -0.728 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000477623967 1069593236 /nfs/dbraw/zinc/59/32/36/1069593236.db2.gz CRRKTCVQQMDSPW-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1F ZINC000477624789 1069593202 /nfs/dbraw/zinc/59/32/02/1069593202.db2.gz FUJYMKQNWLWQQN-UHFFFAOYSA-N 1 0 411.459 -0.091 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000477626903 1069593227 /nfs/dbraw/zinc/59/32/27/1069593227.db2.gz NIDXHIUEBAGLPZ-IBGZPJMESA-N 1 0 414.572 -0.463 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000477626905 1069593094 /nfs/dbraw/zinc/59/30/94/1069593094.db2.gz NIDXHIUEBAGLPZ-LJQANCHMSA-N 1 0 414.572 -0.463 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000477627535 1069593727 /nfs/dbraw/zinc/59/37/27/1069593727.db2.gz PUVXJDIJLBNQEK-HNNXBMFYSA-N 1 0 406.487 -0.741 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000477627537 1069593828 /nfs/dbraw/zinc/59/38/28/1069593828.db2.gz PUVXJDIJLBNQEK-OAHLLOKOSA-N 1 0 406.487 -0.741 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000477627889 1069593795 /nfs/dbraw/zinc/59/37/95/1069593795.db2.gz RJQVPWXPKAUYPT-UHFFFAOYSA-N 1 0 405.499 -0.574 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000477628021 1069593130 /nfs/dbraw/zinc/59/31/30/1069593130.db2.gz RSESZRBKIVZUGJ-KRWDZBQOSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000477628023 1069593228 /nfs/dbraw/zinc/59/32/28/1069593228.db2.gz RSESZRBKIVZUGJ-QGZVFWFLSA-N 1 0 423.558 -0.632 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1=O ZINC000477628348 1069593758 /nfs/dbraw/zinc/59/37/58/1069593758.db2.gz SVDUMMRDXQYYDG-INIZCTEOSA-N 1 0 420.514 -0.258 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1=O ZINC000477628352 1069593661 /nfs/dbraw/zinc/59/36/61/1069593661.db2.gz SVDUMMRDXQYYDG-MRXNPFEDSA-N 1 0 420.514 -0.258 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)CC1 ZINC000477637165 1069594830 /nfs/dbraw/zinc/59/48/30/1069594830.db2.gz KFINTTSDTYUXLQ-KRWDZBQOSA-N 1 0 424.571 -0.010 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)CC1 ZINC000477637166 1069594917 /nfs/dbraw/zinc/59/49/17/1069594917.db2.gz KFINTTSDTYUXLQ-QGZVFWFLSA-N 1 0 424.571 -0.010 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000477637397 1069594976 /nfs/dbraw/zinc/59/49/76/1069594976.db2.gz BJXXVKPDAFYELU-UHFFFAOYSA-N 1 0 418.498 -0.944 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477639821 1069594869 /nfs/dbraw/zinc/59/48/69/1069594869.db2.gz OCNDERCDLWTASS-INIZCTEOSA-N 1 0 404.519 -0.940 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000477639830 1069594948 /nfs/dbraw/zinc/59/49/48/1069594948.db2.gz OCNDERCDLWTASS-MRXNPFEDSA-N 1 0 404.519 -0.940 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000477646131 1069595450 /nfs/dbraw/zinc/59/54/50/1069595450.db2.gz OUDNUAAKLPFCPP-HNNXBMFYSA-N 1 0 404.533 -0.858 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000477646132 1069595365 /nfs/dbraw/zinc/59/53/65/1069595365.db2.gz OUDNUAAKLPFCPP-OAHLLOKOSA-N 1 0 404.533 -0.858 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000477646139 1069595531 /nfs/dbraw/zinc/59/55/31/1069595531.db2.gz OYPSUMGIHYXKPS-UHFFFAOYSA-N 1 0 407.515 -0.826 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000477651036 1069595477 /nfs/dbraw/zinc/59/54/77/1069595477.db2.gz IHOYOZRZOJOVRH-UHFFFAOYSA-N 1 0 406.487 -0.639 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000477652081 1069596185 /nfs/dbraw/zinc/59/61/85/1069596185.db2.gz KYVDHUJSUSZOQH-KRWDZBQOSA-N 1 0 403.483 -0.080 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000477652084 1069596159 /nfs/dbraw/zinc/59/61/59/1069596159.db2.gz KYVDHUJSUSZOQH-QGZVFWFLSA-N 1 0 403.483 -0.080 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000477653960 1069596080 /nfs/dbraw/zinc/59/60/80/1069596080.db2.gz RQDFGHZESYELIP-UHFFFAOYSA-N 1 0 408.474 -0.172 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)ccn1 ZINC000477654530 1069596178 /nfs/dbraw/zinc/59/61/78/1069596178.db2.gz UNRHGMAQPZEDEM-UHFFFAOYSA-N 1 0 421.479 -0.076 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000477655656 1069596972 /nfs/dbraw/zinc/59/69/72/1069596972.db2.gz YKDGRKOVPZJNHE-CYBMUJFWSA-N 1 0 408.421 -0.117 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000477655657 1069596695 /nfs/dbraw/zinc/59/66/95/1069596695.db2.gz YKDGRKOVPZJNHE-ZDUSSCGKSA-N 1 0 408.421 -0.117 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000477660332 1069597062 /nfs/dbraw/zinc/59/70/62/1069597062.db2.gz KBHAAZWKGUCFMG-CVEARBPZSA-N 1 0 405.499 -0.144 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000477660335 1069597019 /nfs/dbraw/zinc/59/70/19/1069597019.db2.gz KBHAAZWKGUCFMG-HOTGVXAUSA-N 1 0 405.499 -0.144 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000477660336 1069596879 /nfs/dbraw/zinc/59/68/79/1069596879.db2.gz KBHAAZWKGUCFMG-HZPDHXFCSA-N 1 0 405.499 -0.144 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000477660337 1069596757 /nfs/dbraw/zinc/59/67/57/1069596757.db2.gz KBHAAZWKGUCFMG-JKSUJKDBSA-N 1 0 405.499 -0.144 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000477673284 1069598255 /nfs/dbraw/zinc/59/82/55/1069598255.db2.gz FZASALFBGATCSU-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000477677811 1069598002 /nfs/dbraw/zinc/59/80/02/1069598002.db2.gz MEPFKQFJGPCHCW-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000477677812 1069598088 /nfs/dbraw/zinc/59/80/88/1069598088.db2.gz MEPFKQFJGPCHCW-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000477683594 1069597703 /nfs/dbraw/zinc/59/77/03/1069597703.db2.gz PKPUTULMYVVNSO-UHFFFAOYSA-N 1 0 404.515 -0.031 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000477684033 1069597693 /nfs/dbraw/zinc/59/76/93/1069597693.db2.gz UULSVUMLOOICBP-UHFFFAOYSA-N 1 0 406.487 -0.639 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477684128 1069597458 /nfs/dbraw/zinc/59/74/58/1069597458.db2.gz VWNZXZDKCZYSLH-CVEARBPZSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477684129 1069597593 /nfs/dbraw/zinc/59/75/93/1069597593.db2.gz VWNZXZDKCZYSLH-HOTGVXAUSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477684130 1069597641 /nfs/dbraw/zinc/59/76/41/1069597641.db2.gz VWNZXZDKCZYSLH-HZPDHXFCSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477684131 1069597412 /nfs/dbraw/zinc/59/74/12/1069597412.db2.gz VWNZXZDKCZYSLH-JKSUJKDBSA-N 1 0 412.531 -0.397 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000477696649 1069598754 /nfs/dbraw/zinc/59/87/54/1069598754.db2.gz DMFAYDNPUGYQPL-GOSISDBHSA-N 1 0 417.510 -0.084 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000477697272 1069598678 /nfs/dbraw/zinc/59/86/78/1069598678.db2.gz DMFAYDNPUGYQPL-SFHVURJKSA-N 1 0 417.510 -0.084 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+](CCOC)CC3)CC2)n1 ZINC000477702582 1069598770 /nfs/dbraw/zinc/59/87/70/1069598770.db2.gz MYZGVAAMQXXVQS-UHFFFAOYSA-N 1 0 410.544 -0.024 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000477704701 1069598790 /nfs/dbraw/zinc/59/87/90/1069598790.db2.gz SBUBXAFXUWUNDC-HNNXBMFYSA-N 1 0 409.531 -0.975 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000477704702 1069598736 /nfs/dbraw/zinc/59/87/36/1069598736.db2.gz SBUBXAFXUWUNDC-OAHLLOKOSA-N 1 0 409.531 -0.975 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000477711149 1069599974 /nfs/dbraw/zinc/59/99/74/1069599974.db2.gz HIHSSTJLNDTMHK-UHFFFAOYSA-N 1 0 404.515 -0.333 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000477715161 1069599963 /nfs/dbraw/zinc/59/99/63/1069599963.db2.gz MVPJHNBWWOMICU-UHFFFAOYSA-N 1 0 415.516 -0.552 20 0 HBADRO COc1ncc(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1C(N)=O ZINC000477727539 1069599286 /nfs/dbraw/zinc/59/92/86/1069599286.db2.gz ZXJBNNGMANFSHN-UHFFFAOYSA-N 1 0 416.438 -0.221 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000477730827 1069599395 /nfs/dbraw/zinc/59/93/95/1069599395.db2.gz KUMVEONCVHXBFB-AWEZNQCLSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000477730828 1069599215 /nfs/dbraw/zinc/59/92/15/1069599215.db2.gz KUMVEONCVHXBFB-CQSZACIVSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000477730855 1069599230 /nfs/dbraw/zinc/59/92/30/1069599230.db2.gz LGQYXBOVIWCCRF-GFCCVEGCSA-N 1 0 415.516 -0.562 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000477730859 1069599338 /nfs/dbraw/zinc/59/93/38/1069599338.db2.gz LGQYXBOVIWCCRF-LBPRGKRZSA-N 1 0 415.516 -0.562 20 0 HBADRO CNS(=O)(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000477733183 1069600664 /nfs/dbraw/zinc/60/06/64/1069600664.db2.gz AIIRIGBTCMRYAA-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000477733184 1069600675 /nfs/dbraw/zinc/60/06/75/1069600675.db2.gz AIIRIGBTCMRYAA-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(CC(=O)N1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000477733716 1069600647 /nfs/dbraw/zinc/60/06/47/1069600647.db2.gz HYAFNFMVVGAOOE-UHFFFAOYSA-N 1 0 405.499 -0.022 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000477743718 1069601499 /nfs/dbraw/zinc/60/14/99/1069601499.db2.gz OFERVKUBEDARFK-INIZCTEOSA-N 1 0 410.540 -0.026 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000477743720 1069601516 /nfs/dbraw/zinc/60/15/16/1069601516.db2.gz OFERVKUBEDARFK-MRXNPFEDSA-N 1 0 410.540 -0.026 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000477746452 1069602205 /nfs/dbraw/zinc/60/22/05/1069602205.db2.gz OKNVAYWTGOGNGZ-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000477746455 1069602170 /nfs/dbraw/zinc/60/21/70/1069602170.db2.gz OKNVAYWTGOGNGZ-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000477749262 1069601446 /nfs/dbraw/zinc/60/14/46/1069601446.db2.gz RNRJPWUDBRGEGG-UHFFFAOYSA-N 1 0 420.601 -0.281 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000477756102 1069602837 /nfs/dbraw/zinc/60/28/37/1069602837.db2.gz WMDDZNGBRGBKGZ-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000477848334 1069768649 /nfs/dbraw/zinc/76/86/49/1069768649.db2.gz HCCXDIFXTUNKTO-HNNXBMFYSA-N 1 0 408.503 -0.035 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000477848337 1069768630 /nfs/dbraw/zinc/76/86/30/1069768630.db2.gz HCCXDIFXTUNKTO-OAHLLOKOSA-N 1 0 408.503 -0.035 20 0 HBADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000477871525 1069769901 /nfs/dbraw/zinc/76/99/01/1069769901.db2.gz DQELQJWIAPRSJU-CYBMUJFWSA-N 1 0 416.482 -0.049 20 0 HBADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000477871528 1069769810 /nfs/dbraw/zinc/76/98/10/1069769810.db2.gz DQELQJWIAPRSJU-ZDUSSCGKSA-N 1 0 416.482 -0.049 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000478027615 1069780145 /nfs/dbraw/zinc/78/01/45/1069780145.db2.gz LMXPZOOOEYJODW-AWEZNQCLSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000478027616 1069780331 /nfs/dbraw/zinc/78/03/31/1069780331.db2.gz LMXPZOOOEYJODW-CQSZACIVSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000478028130 1069780234 /nfs/dbraw/zinc/78/02/34/1069780234.db2.gz KOEHKNGOECSLFV-CRAIPNDOSA-N 1 0 418.494 -0.189 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000478028137 1069781026 /nfs/dbraw/zinc/78/10/26/1069781026.db2.gz KOEHKNGOECSLFV-MAUKXSAKSA-N 1 0 418.494 -0.189 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000478028139 1069780942 /nfs/dbraw/zinc/78/09/42/1069780942.db2.gz KOEHKNGOECSLFV-QAPCUYQASA-N 1 0 418.494 -0.189 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000478028151 1069781161 /nfs/dbraw/zinc/78/11/61/1069781161.db2.gz KOEHKNGOECSLFV-YJBOKZPZSA-N 1 0 418.494 -0.189 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478030297 1069780886 /nfs/dbraw/zinc/78/08/86/1069780886.db2.gz OHXJPJSAUSNPOU-AWEZNQCLSA-N 1 0 414.503 -0.028 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000478030300 1069781002 /nfs/dbraw/zinc/78/10/02/1069781002.db2.gz OHXJPJSAUSNPOU-CQSZACIVSA-N 1 0 414.503 -0.028 20 0 HBADRO CN(C)S(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)N(C)C)CC1(C)C ZINC000478030420 1069781051 /nfs/dbraw/zinc/78/10/51/1069781051.db2.gz RSBRMBBSPJVZLX-UHFFFAOYSA-N 1 0 412.622 -0.054 20 0 HBADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000478031521 1069781179 /nfs/dbraw/zinc/78/11/79/1069781179.db2.gz QVLQTPBZADGYAV-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000478031522 1069781109 /nfs/dbraw/zinc/78/11/09/1069781109.db2.gz QVLQTPBZADGYAV-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000478043859 1069782536 /nfs/dbraw/zinc/78/25/36/1069782536.db2.gz WDRBBFABDPNITF-MSOLQXFVSA-N 1 0 400.589 -0.019 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000478043861 1069782476 /nfs/dbraw/zinc/78/24/76/1069782476.db2.gz WDRBBFABDPNITF-QZTJIDSGSA-N 1 0 400.589 -0.019 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000478043862 1069782666 /nfs/dbraw/zinc/78/26/66/1069782666.db2.gz WDRBBFABDPNITF-ROUUACIJSA-N 1 0 400.589 -0.019 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000478043863 1069782425 /nfs/dbraw/zinc/78/24/25/1069782425.db2.gz WDRBBFABDPNITF-ZWKOTPCHSA-N 1 0 400.589 -0.019 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000478057887 1069781880 /nfs/dbraw/zinc/78/18/80/1069781880.db2.gz ACARDUOLVOMLSN-GOSISDBHSA-N 1 0 408.524 -0.082 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000478057888 1069781801 /nfs/dbraw/zinc/78/18/01/1069781801.db2.gz ACARDUOLVOMLSN-SFHVURJKSA-N 1 0 408.524 -0.082 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccnc(OCC[NH+](C)C)c1)c(=O)n2C ZINC000478058686 1069781764 /nfs/dbraw/zinc/78/17/64/1069781764.db2.gz CGXWGPVBJNUEDT-UHFFFAOYSA-N 1 0 401.427 -0.592 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3ccnc(OCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000478089794 1069786051 /nfs/dbraw/zinc/78/60/51/1069786051.db2.gz XUZDFCTUZHVKDQ-UHFFFAOYSA-N 1 0 401.427 -0.592 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000478111970 1069788705 /nfs/dbraw/zinc/78/87/05/1069788705.db2.gz OEMMCEGVZFLADJ-UHFFFAOYSA-N 1 0 423.583 -0.335 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000478137225 1069791780 /nfs/dbraw/zinc/79/17/80/1069791780.db2.gz RBFRDXRIMHTLHF-UHFFFAOYSA-N 1 0 403.483 -0.003 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000478149304 1069558687 /nfs/dbraw/zinc/55/86/87/1069558687.db2.gz RASAJLRJHUIDSC-INIZCTEOSA-N 1 0 413.482 -0.011 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000478149324 1069558582 /nfs/dbraw/zinc/55/85/82/1069558582.db2.gz RASAJLRJHUIDSC-MRXNPFEDSA-N 1 0 413.482 -0.011 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000478187705 1069795560 /nfs/dbraw/zinc/79/55/60/1069795560.db2.gz WJYBZEHKCDMVLU-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000478189622 1069795598 /nfs/dbraw/zinc/79/55/98/1069795598.db2.gz FRDOKPQDSHWPOP-IBGZPJMESA-N 1 0 417.554 -0.112 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000478189623 1069795279 /nfs/dbraw/zinc/79/52/79/1069795279.db2.gz FRDOKPQDSHWPOP-LJQANCHMSA-N 1 0 417.554 -0.112 20 0 HBADRO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[NH+]1CCN(C)CC1 ZINC000478242631 1069802695 /nfs/dbraw/zinc/80/26/95/1069802695.db2.gz YLKWKHTYXRANMC-IAGOWNOFSA-N 1 0 418.608 -0.172 20 0 HBADRO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[NH+]1CCN(C)CC1 ZINC000478242632 1069802561 /nfs/dbraw/zinc/80/25/61/1069802561.db2.gz YLKWKHTYXRANMC-SJORKVTESA-N 1 0 418.608 -0.172 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000478248833 1069803334 /nfs/dbraw/zinc/80/33/34/1069803334.db2.gz BVEFRXOXGPMENJ-INIZCTEOSA-N 1 0 411.528 -0.096 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000478248834 1069803232 /nfs/dbraw/zinc/80/32/32/1069803232.db2.gz BVEFRXOXGPMENJ-MRXNPFEDSA-N 1 0 411.528 -0.096 20 0 HBADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(CCS(N)(=O)=O)CC3)cc2)CC1 ZINC000478315087 1069813813 /nfs/dbraw/zinc/81/38/13/1069813813.db2.gz YRMCQRDIEUKNBS-UHFFFAOYSA-N 1 0 409.556 -0.125 20 0 HBADRO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478346214 1069825227 /nfs/dbraw/zinc/82/52/27/1069825227.db2.gz WOQCXTCKRDVXBU-IBGZPJMESA-N 1 0 422.551 -0.145 20 0 HBADRO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478346215 1069824670 /nfs/dbraw/zinc/82/46/70/1069824670.db2.gz WOQCXTCKRDVXBU-LJQANCHMSA-N 1 0 422.551 -0.145 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(=O)NCC3CC3)ccc2oc1=O ZINC000478425687 1069835757 /nfs/dbraw/zinc/83/57/57/1069835757.db2.gz RBLWAKAFHZSOQC-UHFFFAOYSA-N 1 0 403.439 -0.263 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000478448419 1069840989 /nfs/dbraw/zinc/84/09/89/1069840989.db2.gz SYIHSMMMXMUJET-CYBMUJFWSA-N 1 0 408.484 -0.161 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000478448427 1069840615 /nfs/dbraw/zinc/84/06/15/1069840615.db2.gz SYIHSMMMXMUJET-ZDUSSCGKSA-N 1 0 408.484 -0.161 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000478450294 1069841303 /nfs/dbraw/zinc/84/13/03/1069841303.db2.gz RFZCZUAMBSRTFD-UHFFFAOYSA-N 1 0 410.434 -0.002 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000478451442 1069842411 /nfs/dbraw/zinc/84/24/11/1069842411.db2.gz PIDDSXSJVXIFOR-CABCVRRESA-N 1 0 422.507 -0.226 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000478451453 1069841535 /nfs/dbraw/zinc/84/15/35/1069841535.db2.gz PIDDSXSJVXIFOR-GJZGRUSLSA-N 1 0 422.507 -0.226 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000478451456 1069841768 /nfs/dbraw/zinc/84/17/68/1069841768.db2.gz PIDDSXSJVXIFOR-HUUCEWRRSA-N 1 0 422.507 -0.226 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000478451458 1069841893 /nfs/dbraw/zinc/84/18/93/1069841893.db2.gz PIDDSXSJVXIFOR-LSDHHAIUSA-N 1 0 422.507 -0.226 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCC(=O)NCC3CC3)cc2)CC1 ZINC000478455138 1069838149 /nfs/dbraw/zinc/83/81/49/1069838149.db2.gz YQSQGNCZQAPASR-UHFFFAOYSA-N 1 0 417.510 -0.106 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000478456079 1069839442 /nfs/dbraw/zinc/83/94/42/1069839442.db2.gz HVDFAEUYNMLVFW-UHFFFAOYSA-N 1 0 413.438 -0.814 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000478460854 1069839336 /nfs/dbraw/zinc/83/93/36/1069839336.db2.gz PWPMXHDRWSWTKL-UHFFFAOYSA-N 1 0 412.450 -0.209 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000478461045 1069843051 /nfs/dbraw/zinc/84/30/51/1069843051.db2.gz YUZYDFILMPWJRP-UHFFFAOYSA-N 1 0 408.484 -0.241 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000478463974 1069843882 /nfs/dbraw/zinc/84/38/82/1069843882.db2.gz CRKSDLOPNUYMRC-UHFFFAOYSA-N 1 0 422.467 -0.856 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000478467740 1069843772 /nfs/dbraw/zinc/84/37/72/1069843772.db2.gz LTAFZEBLZBWWHI-UHFFFAOYSA-N 1 0 423.451 -0.591 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000478470866 1069844145 /nfs/dbraw/zinc/84/41/45/1069844145.db2.gz WBFIHVRRXQCVFD-UHFFFAOYSA-N 1 0 410.434 -0.002 20 0 HBADRO CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000478480009 1069843176 /nfs/dbraw/zinc/84/31/76/1069843176.db2.gz SSFVOMMWKYAREG-GDBMZVCRSA-N 1 0 408.503 -0.491 20 0 HBADRO CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000478480010 1069843236 /nfs/dbraw/zinc/84/32/36/1069843236.db2.gz SSFVOMMWKYAREG-GOEBONIOSA-N 1 0 408.503 -0.491 20 0 HBADRO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000478480012 1069843408 /nfs/dbraw/zinc/84/34/08/1069843408.db2.gz SSFVOMMWKYAREG-HOCLYGCPSA-N 1 0 408.503 -0.491 20 0 HBADRO CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000478480014 1069843113 /nfs/dbraw/zinc/84/31/13/1069843113.db2.gz SSFVOMMWKYAREG-ZBFHGGJFSA-N 1 0 408.503 -0.491 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000478484369 1069846864 /nfs/dbraw/zinc/84/68/64/1069846864.db2.gz RBSIUJXAZUQHIS-KRWDZBQOSA-N 1 0 417.510 -0.081 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000478484374 1069846919 /nfs/dbraw/zinc/84/69/19/1069846919.db2.gz RBSIUJXAZUQHIS-QGZVFWFLSA-N 1 0 417.510 -0.081 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000478489849 1069844416 /nfs/dbraw/zinc/84/44/16/1069844416.db2.gz LLKLYOYJVIFDIP-UHFFFAOYSA-N 1 0 413.438 -0.814 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000478529010 1069850244 /nfs/dbraw/zinc/85/02/44/1069850244.db2.gz LKMZXDOSQWOPBF-UHFFFAOYSA-N 1 0 424.523 -0.399 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000478567161 1069852460 /nfs/dbraw/zinc/85/24/60/1069852460.db2.gz YVDWKENBJUUQMW-UHFFFAOYSA-N 1 0 421.479 -0.076 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000478650909 1069866611 /nfs/dbraw/zinc/86/66/11/1069866611.db2.gz MFJDGTMIFKERAN-KRWDZBQOSA-N 1 0 421.546 -0.395 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000478650910 1069866671 /nfs/dbraw/zinc/86/66/71/1069866671.db2.gz MFJDGTMIFKERAN-QGZVFWFLSA-N 1 0 421.546 -0.395 20 0 HBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000478714731 1069882956 /nfs/dbraw/zinc/88/29/56/1069882956.db2.gz DFYRGIDZNWUOML-AWEZNQCLSA-N 1 0 404.500 -0.315 20 0 HBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000478714736 1069883170 /nfs/dbraw/zinc/88/31/70/1069883170.db2.gz DFYRGIDZNWUOML-CQSZACIVSA-N 1 0 404.500 -0.315 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000478717623 1069886338 /nfs/dbraw/zinc/88/63/38/1069886338.db2.gz HFFLMYGQXHNTBM-HNNXBMFYSA-N 1 0 411.528 -0.326 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000478717632 1069887354 /nfs/dbraw/zinc/88/73/54/1069887354.db2.gz HFFLMYGQXHNTBM-OAHLLOKOSA-N 1 0 411.528 -0.326 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000478728931 1069888114 /nfs/dbraw/zinc/88/81/14/1069888114.db2.gz RYEBVWQCPOEFPN-UHFFFAOYSA-N 1 0 418.494 -0.262 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478740916 1069889820 /nfs/dbraw/zinc/88/98/20/1069889820.db2.gz BDMFGZHLJJFODV-UHFFFAOYSA-N 1 0 406.483 -0.264 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478740967 1069889455 /nfs/dbraw/zinc/88/94/55/1069889455.db2.gz BPTDXIKKQKWWBF-UHFFFAOYSA-N 1 0 406.483 -0.528 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000478741150 1069889106 /nfs/dbraw/zinc/88/91/06/1069889106.db2.gz PNAQDZSLWNBVTP-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000478741152 1069889670 /nfs/dbraw/zinc/88/96/70/1069889670.db2.gz PNAQDZSLWNBVTP-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCCO1 ZINC000478742488 1069889517 /nfs/dbraw/zinc/88/95/17/1069889517.db2.gz DSKSEHUGRSSOHM-HNNXBMFYSA-N 1 0 406.483 -0.216 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCCO1 ZINC000478742489 1069890169 /nfs/dbraw/zinc/89/01/69/1069890169.db2.gz DSKSEHUGRSSOHM-OAHLLOKOSA-N 1 0 406.483 -0.216 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478744228 1069891276 /nfs/dbraw/zinc/89/12/76/1069891276.db2.gz HSVOFQIFRBVVTL-UHFFFAOYSA-N 1 0 419.526 -0.349 20 0 HBADRO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC(=O)N1C ZINC000478747561 1069891219 /nfs/dbraw/zinc/89/12/19/1069891219.db2.gz PYRBXXTUEAHXDE-KYJSFNMBSA-N 1 0 402.499 -0.296 20 0 HBADRO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC(=O)N1C ZINC000478747562 1069891423 /nfs/dbraw/zinc/89/14/23/1069891423.db2.gz PYRBXXTUEAHXDE-LESCRADOSA-N 1 0 402.499 -0.296 20 0 HBADRO Cn1nccc1[C@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC(=O)N1C ZINC000478747563 1069891184 /nfs/dbraw/zinc/89/11/84/1069891184.db2.gz PYRBXXTUEAHXDE-QGPMSJSTSA-N 1 0 402.499 -0.296 20 0 HBADRO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC(=O)N1C ZINC000478747564 1069890997 /nfs/dbraw/zinc/89/09/97/1069890997.db2.gz PYRBXXTUEAHXDE-YXJHDRRASA-N 1 0 402.499 -0.296 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)N(C)C ZINC000478751824 1069892794 /nfs/dbraw/zinc/89/27/94/1069892794.db2.gz VGCNXXHQBHLFDD-HNNXBMFYSA-N 1 0 411.528 -0.454 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1S(=O)(=O)N(C)C ZINC000478751825 1069893095 /nfs/dbraw/zinc/89/30/95/1069893095.db2.gz VGCNXXHQBHLFDD-OAHLLOKOSA-N 1 0 411.528 -0.454 20 0 HBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c2ccccc2O1 ZINC000478761818 1069897853 /nfs/dbraw/zinc/89/78/53/1069897853.db2.gz AIMGIAHSQRDJAA-CRAIPNDOSA-N 1 0 417.510 -0.331 20 0 HBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c2ccccc2O1 ZINC000478761820 1069897892 /nfs/dbraw/zinc/89/78/92/1069897892.db2.gz AIMGIAHSQRDJAA-MAUKXSAKSA-N 1 0 417.510 -0.331 20 0 HBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c2ccccc2O1 ZINC000478761822 1069898207 /nfs/dbraw/zinc/89/82/07/1069898207.db2.gz AIMGIAHSQRDJAA-QAPCUYQASA-N 1 0 417.510 -0.331 20 0 HBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c2ccccc2O1 ZINC000478761824 1069897952 /nfs/dbraw/zinc/89/79/52/1069897952.db2.gz AIMGIAHSQRDJAA-YJBOKZPZSA-N 1 0 417.510 -0.331 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000478771228 1069893478 /nfs/dbraw/zinc/89/34/78/1069893478.db2.gz CMZKQNOWGBOJPY-KRWDZBQOSA-N 1 0 417.510 -0.595 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000478771240 1069893932 /nfs/dbraw/zinc/89/39/32/1069893932.db2.gz CMZKQNOWGBOJPY-QGZVFWFLSA-N 1 0 417.510 -0.595 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)CCO1 ZINC000478771734 1069893564 /nfs/dbraw/zinc/89/35/64/1069893564.db2.gz CSMQLZFQZHIRSY-HNNXBMFYSA-N 1 0 418.494 -0.121 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)CCO1 ZINC000478771735 1069893849 /nfs/dbraw/zinc/89/38/49/1069893849.db2.gz CSMQLZFQZHIRSY-OAHLLOKOSA-N 1 0 418.494 -0.121 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000478772448 1069894009 /nfs/dbraw/zinc/89/40/09/1069894009.db2.gz DSTFVAYXVMUURE-UHFFFAOYSA-N 1 0 418.494 -0.262 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1(C)C ZINC000478772623 1069893621 /nfs/dbraw/zinc/89/36/21/1069893621.db2.gz FRDJQHHUFCJMAQ-UHFFFAOYSA-N 1 0 405.499 -0.691 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000478773869 1069894670 /nfs/dbraw/zinc/89/46/70/1069894670.db2.gz PKITUQHJKAFCEY-UHFFFAOYSA-N 1 0 418.494 -0.072 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000478774486 1069894608 /nfs/dbraw/zinc/89/46/08/1069894608.db2.gz QYFZZTQYTHDUNG-QGZVFWFLSA-N 1 0 418.494 -0.262 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478777320 1069896782 /nfs/dbraw/zinc/89/67/82/1069896782.db2.gz OMRRZMOEAGAJRJ-HNNXBMFYSA-N 1 0 418.494 -0.121 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000478777583 1069896692 /nfs/dbraw/zinc/89/66/92/1069896692.db2.gz YQFWITWPUXZGSD-GASCZTMLSA-N 1 0 406.483 -0.218 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000478777584 1069896629 /nfs/dbraw/zinc/89/66/29/1069896629.db2.gz YQFWITWPUXZGSD-GJZGRUSLSA-N 1 0 406.483 -0.218 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@@H](C)O1 ZINC000478777585 1069896313 /nfs/dbraw/zinc/89/63/13/1069896313.db2.gz YQFWITWPUXZGSD-HUUCEWRRSA-N 1 0 406.483 -0.218 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000478778055 1069895397 /nfs/dbraw/zinc/89/53/97/1069895397.db2.gz QYFZZTQYTHDUNG-KRWDZBQOSA-N 1 0 418.494 -0.262 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478797082 1069899484 /nfs/dbraw/zinc/89/94/84/1069899484.db2.gz OMRRZMOEAGAJRJ-OAHLLOKOSA-N 1 0 418.494 -0.121 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000478800375 1069905363 /nfs/dbraw/zinc/90/53/63/1069905363.db2.gz QNHVNFBXYQXMPH-KRWDZBQOSA-N 1 0 417.510 -0.012 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000478800386 1069905488 /nfs/dbraw/zinc/90/54/88/1069905488.db2.gz QNHVNFBXYQXMPH-QGZVFWFLSA-N 1 0 417.510 -0.012 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000478837630 1069907455 /nfs/dbraw/zinc/90/74/55/1069907455.db2.gz RZILFPDEAQRULR-IBGZPJMESA-N 1 0 403.527 -0.138 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000478837636 1069907280 /nfs/dbraw/zinc/90/72/80/1069907280.db2.gz RZILFPDEAQRULR-LJQANCHMSA-N 1 0 403.527 -0.138 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000478843982 1069909283 /nfs/dbraw/zinc/90/92/83/1069909283.db2.gz YZVXVZQAANNMHI-INIZCTEOSA-N 1 0 423.539 -0.230 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000478843983 1069909043 /nfs/dbraw/zinc/90/90/43/1069909043.db2.gz YZVXVZQAANNMHI-MRXNPFEDSA-N 1 0 423.539 -0.230 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000478844852 1069909196 /nfs/dbraw/zinc/90/91/96/1069909196.db2.gz XVWUOPGJBXMLQB-MRXNPFEDSA-N 1 0 404.581 -0.418 20 0 HBADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000478859247 1069908154 /nfs/dbraw/zinc/90/81/54/1069908154.db2.gz RMMDXAKLAPLHBT-HNNXBMFYSA-N 1 0 409.512 -0.485 20 0 HBADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000478859292 1069908352 /nfs/dbraw/zinc/90/83/52/1069908352.db2.gz RMMDXAKLAPLHBT-OAHLLOKOSA-N 1 0 409.512 -0.485 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CCCC2(C)C)cn1 ZINC000478890374 1069913832 /nfs/dbraw/zinc/91/38/32/1069913832.db2.gz XRBHYCAZLWZLFS-IBGZPJMESA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(O)CCCC2(C)C)cn1 ZINC000478890375 1069914065 /nfs/dbraw/zinc/91/40/65/1069914065.db2.gz XRBHYCAZLWZLFS-LJQANCHMSA-N 1 0 408.503 -0.443 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OCC(=O)N(C)C)c1 ZINC000478892028 1069913860 /nfs/dbraw/zinc/91/38/60/1069913860.db2.gz CNELVYWSTQDKDZ-HNNXBMFYSA-N 1 0 405.499 -0.237 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OCC(=O)N(C)C)c1 ZINC000478892029 1069914191 /nfs/dbraw/zinc/91/41/91/1069914191.db2.gz CNELVYWSTQDKDZ-OAHLLOKOSA-N 1 0 405.499 -0.237 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000478898488 1069914146 /nfs/dbraw/zinc/91/41/46/1069914146.db2.gz PFOSLYUCJJRYHK-HNNXBMFYSA-N 1 0 413.478 -0.007 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000478898489 1069913900 /nfs/dbraw/zinc/91/39/00/1069913900.db2.gz PFOSLYUCJJRYHK-OAHLLOKOSA-N 1 0 413.478 -0.007 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cn1 ZINC000478899775 1069913990 /nfs/dbraw/zinc/91/39/90/1069913990.db2.gz KISOOGDQTPAZMU-UHFFFAOYSA-N 1 0 422.467 -0.193 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)[C@H](C)C1 ZINC000478923353 1069918048 /nfs/dbraw/zinc/91/80/48/1069918048.db2.gz IVFPHMNKNOCULO-CVEARBPZSA-N 1 0 417.510 -0.145 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)[C@@H](C)C1 ZINC000478923354 1069918193 /nfs/dbraw/zinc/91/81/93/1069918193.db2.gz IVFPHMNKNOCULO-HOTGVXAUSA-N 1 0 417.510 -0.145 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)[C@H](C)C1 ZINC000478923355 1069918328 /nfs/dbraw/zinc/91/83/28/1069918328.db2.gz IVFPHMNKNOCULO-HZPDHXFCSA-N 1 0 417.510 -0.145 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)[C@@H](C)C1 ZINC000478923356 1069918266 /nfs/dbraw/zinc/91/82/66/1069918266.db2.gz IVFPHMNKNOCULO-JKSUJKDBSA-N 1 0 417.510 -0.145 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NCCOC)cc2)CC1 ZINC000478989876 1069926720 /nfs/dbraw/zinc/92/67/20/1069926720.db2.gz LCAPFZFJSGJCJT-UHFFFAOYSA-N 1 0 405.499 -0.359 20 0 HBADRO O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479047100 1069932657 /nfs/dbraw/zinc/93/26/57/1069932657.db2.gz KYPZRZZBJYUDBJ-INIZCTEOSA-N 1 0 410.496 -0.259 20 0 HBADRO O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479047103 1069932749 /nfs/dbraw/zinc/93/27/49/1069932749.db2.gz KYPZRZZBJYUDBJ-MRXNPFEDSA-N 1 0 410.496 -0.259 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCCOC)c(C)c2)CC1 ZINC000479047323 1069932024 /nfs/dbraw/zinc/93/20/24/1069932024.db2.gz CPWZZNYJZUBBPV-UHFFFAOYSA-N 1 0 405.499 -0.046 20 0 HBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)C2 ZINC000479048251 1069932843 /nfs/dbraw/zinc/93/28/43/1069932843.db2.gz ZGZHURYQECZWIW-UHFFFAOYSA-N 1 0 407.519 -0.220 20 0 HBADRO CC(C)(CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000479048280 1069932895 /nfs/dbraw/zinc/93/28/95/1069932895.db2.gz ZOBYFNCWCDYMFZ-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000479053707 1069936616 /nfs/dbraw/zinc/93/66/16/1069936616.db2.gz ZOFIYJVPELCDAO-UHFFFAOYSA-N 1 0 415.494 -0.816 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000479053728 1069936530 /nfs/dbraw/zinc/93/65/30/1069936530.db2.gz ZWIKZCYEESVFNR-UHFFFAOYSA-N 1 0 403.527 -0.143 20 0 HBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000479067934 1069937984 /nfs/dbraw/zinc/93/79/84/1069937984.db2.gz DEWMNYZGLLQEII-INIZCTEOSA-N 1 0 402.524 -0.210 20 0 HBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000479067935 1069938343 /nfs/dbraw/zinc/93/83/43/1069938343.db2.gz DEWMNYZGLLQEII-MRXNPFEDSA-N 1 0 402.524 -0.210 20 0 HBADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479072080 1069939946 /nfs/dbraw/zinc/93/99/46/1069939946.db2.gz SHONZPAHFCOAAO-GOSISDBHSA-N 1 0 408.524 -0.286 20 0 HBADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479072082 1069939727 /nfs/dbraw/zinc/93/97/27/1069939727.db2.gz SHONZPAHFCOAAO-SFHVURJKSA-N 1 0 408.524 -0.286 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1=O ZINC000479073066 1069937431 /nfs/dbraw/zinc/93/74/31/1069937431.db2.gz XATNRYWUCMYXGC-UHFFFAOYSA-N 1 0 412.494 -0.323 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000479077312 1069941621 /nfs/dbraw/zinc/94/16/21/1069941621.db2.gz IWMFFNIATAZYKZ-UHFFFAOYSA-N 1 0 403.527 -0.097 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000479145359 1069949886 /nfs/dbraw/zinc/94/98/86/1069949886.db2.gz LFNMNXVVFHZQMO-UHFFFAOYSA-N 1 0 401.511 -0.343 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000479147641 1069950836 /nfs/dbraw/zinc/95/08/36/1069950836.db2.gz XCHUXMWSXIHESJ-UHFFFAOYSA-N 1 0 403.527 -0.097 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000479154147 1069950593 /nfs/dbraw/zinc/95/05/93/1069950593.db2.gz BXLGGTTXBZFJPC-INIZCTEOSA-N 1 0 412.512 -0.408 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000479154149 1069950687 /nfs/dbraw/zinc/95/06/87/1069950687.db2.gz BXLGGTTXBZFJPC-MRXNPFEDSA-N 1 0 412.512 -0.408 20 0 HBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000479173335 1069952510 /nfs/dbraw/zinc/95/25/10/1069952510.db2.gz XKVAVNGAGOJDNC-AWEZNQCLSA-N 1 0 400.501 -0.118 20 0 HBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000479173336 1069952783 /nfs/dbraw/zinc/95/27/83/1069952783.db2.gz XKVAVNGAGOJDNC-CQSZACIVSA-N 1 0 400.501 -0.118 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c2)CC1 ZINC000479223310 1069957105 /nfs/dbraw/zinc/95/71/05/1069957105.db2.gz VYHUZOFTLXUCLS-UHFFFAOYSA-N 1 0 411.528 -0.443 20 0 HBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccco1 ZINC000479226847 1069958870 /nfs/dbraw/zinc/95/88/70/1069958870.db2.gz RRSASLHPBGFLSS-AWEZNQCLSA-N 1 0 400.501 -0.214 20 0 HBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccco1 ZINC000479226848 1069958766 /nfs/dbraw/zinc/95/87/66/1069958766.db2.gz RRSASLHPBGFLSS-CQSZACIVSA-N 1 0 400.501 -0.214 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c2)CC1 ZINC000479277919 1069966629 /nfs/dbraw/zinc/96/66/29/1069966629.db2.gz TXPAEWZDLHJYBZ-UHFFFAOYSA-N 1 0 411.528 -0.048 20 0 HBADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000479287292 1069967444 /nfs/dbraw/zinc/96/74/44/1069967444.db2.gz RWHSYOZDFGBLGE-GXTWGEPZSA-N 1 0 400.501 -0.259 20 0 HBADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000479287293 1069967238 /nfs/dbraw/zinc/96/72/38/1069967238.db2.gz RWHSYOZDFGBLGE-JSGCOSHPSA-N 1 0 400.501 -0.259 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000479287294 1069967311 /nfs/dbraw/zinc/96/73/11/1069967311.db2.gz RWHSYOZDFGBLGE-OCCSQVGLSA-N 1 0 400.501 -0.259 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000479287295 1069967398 /nfs/dbraw/zinc/96/73/98/1069967398.db2.gz RWHSYOZDFGBLGE-TZMCWYRMSA-N 1 0 400.501 -0.259 20 0 HBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000479289079 1069968077 /nfs/dbraw/zinc/96/80/77/1069968077.db2.gz VFURBNGLZDKCGJ-UHFFFAOYSA-N 1 0 404.558 -0.181 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000479289856 1069969129 /nfs/dbraw/zinc/96/91/29/1069969129.db2.gz WSQHZAPBBVTNIA-HNNXBMFYSA-N 1 0 410.606 -0.397 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000479289858 1069969157 /nfs/dbraw/zinc/96/91/57/1069969157.db2.gz WSQHZAPBBVTNIA-OAHLLOKOSA-N 1 0 410.606 -0.397 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)CC1 ZINC000479305778 1069968290 /nfs/dbraw/zinc/96/82/90/1069968290.db2.gz XDKVBOYMFNTMJN-HNNXBMFYSA-N 1 0 405.590 -0.940 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)CC1 ZINC000479305779 1069968116 /nfs/dbraw/zinc/96/81/16/1069968116.db2.gz XDKVBOYMFNTMJN-OAHLLOKOSA-N 1 0 405.590 -0.940 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000479317684 1069971146 /nfs/dbraw/zinc/97/11/46/1069971146.db2.gz RWVWHFUTFUPYAJ-UHFFFAOYSA-N 1 0 413.563 -0.081 20 0 HBADRO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCC(=O)N1CCN(C)CC1)C2 ZINC000479323011 1069971343 /nfs/dbraw/zinc/97/13/43/1069971343.db2.gz YAYGEBBTQLMXEM-ALOPSCKCSA-N 1 0 408.547 -0.467 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000479357897 1069974570 /nfs/dbraw/zinc/97/45/70/1069974570.db2.gz HUGMSQYFIAKAQR-AWEZNQCLSA-N 1 0 402.517 -0.238 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000479357899 1069974541 /nfs/dbraw/zinc/97/45/41/1069974541.db2.gz HUGMSQYFIAKAQR-CQSZACIVSA-N 1 0 402.517 -0.238 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000479483075 1069987430 /nfs/dbraw/zinc/98/74/30/1069987430.db2.gz LDKNHVDXXCVBIX-AWEZNQCLSA-N 1 0 400.501 -0.266 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000479483076 1069987555 /nfs/dbraw/zinc/98/75/55/1069987555.db2.gz LDKNHVDXXCVBIX-CQSZACIVSA-N 1 0 400.501 -0.266 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000479491003 1069988194 /nfs/dbraw/zinc/98/81/94/1069988194.db2.gz RNRQDFPNTXHWDD-UHFFFAOYSA-N 1 0 401.533 -0.305 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000479591541 1069995682 /nfs/dbraw/zinc/99/56/82/1069995682.db2.gz XNSCYRBPICPNME-KRWDZBQOSA-N 1 0 408.524 -0.129 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000479591542 1069995607 /nfs/dbraw/zinc/99/56/07/1069995607.db2.gz XNSCYRBPICPNME-QGZVFWFLSA-N 1 0 408.524 -0.129 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594619 1070001717 /nfs/dbraw/zinc/00/17/17/1070001717.db2.gz SOTFAKXHAGQCBZ-PMACEKPBSA-N 1 0 418.538 -0.081 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594622 1070001509 /nfs/dbraw/zinc/00/15/09/1070001509.db2.gz SOTFAKXHAGQCBZ-UXHICEINSA-N 1 0 418.538 -0.081 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594625 1070001591 /nfs/dbraw/zinc/00/15/91/1070001591.db2.gz SOTFAKXHAGQCBZ-VQTJNVASSA-N 1 0 418.538 -0.081 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594627 1070001884 /nfs/dbraw/zinc/00/18/84/1070001884.db2.gz SOTFAKXHAGQCBZ-WOJBJXKFSA-N 1 0 418.538 -0.081 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000479612807 1070000530 /nfs/dbraw/zinc/00/05/30/1070000530.db2.gz FCQNPGWCWGTKTN-KRWDZBQOSA-N 1 0 408.524 -0.225 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000479612813 1070000369 /nfs/dbraw/zinc/00/03/69/1070000369.db2.gz FCQNPGWCWGTKTN-QGZVFWFLSA-N 1 0 408.524 -0.225 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+](Cc4cccnc4)CC3)c2c(=O)n(C)c1=O ZINC000479625575 1070003382 /nfs/dbraw/zinc/00/33/82/1070003382.db2.gz WRHACUJKQPYTHR-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000479676533 1070006790 /nfs/dbraw/zinc/00/67/90/1070006790.db2.gz OMNGXDMRDJNYDM-ZNMIVQPWSA-N 1 0 418.498 -0.466 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000479773719 1070015262 /nfs/dbraw/zinc/01/52/62/1070015262.db2.gz FCAJOWFCRFYQNY-FCEWJHQRSA-N 1 0 400.479 -0.352 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000479773724 1070016410 /nfs/dbraw/zinc/01/64/10/1070016410.db2.gz FCAJOWFCRFYQNY-JTDSTZFVSA-N 1 0 400.479 -0.352 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000479785229 1070018238 /nfs/dbraw/zinc/01/82/38/1070018238.db2.gz RRVRHFMSCHKFHX-CALCHBBNSA-N 1 0 408.524 -0.525 20 0 HBADRO COc1ccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000479798027 1070017848 /nfs/dbraw/zinc/01/78/48/1070017848.db2.gz VLRKSXOEIIMVOT-GASCZTMLSA-N 1 0 424.523 -0.194 20 0 HBADRO C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1([NH+]2CCOCC2)CCCC1 ZINC000479799924 1070017826 /nfs/dbraw/zinc/01/78/26/1070017826.db2.gz BTIIWZHOYJZAHV-AWEZNQCLSA-N 1 0 418.498 -0.417 20 0 HBADRO C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1([NH+]2CCOCC2)CCCC1 ZINC000479799925 1070017706 /nfs/dbraw/zinc/01/77/06/1070017706.db2.gz BTIIWZHOYJZAHV-CQSZACIVSA-N 1 0 418.498 -0.417 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000479856739 1070022746 /nfs/dbraw/zinc/02/27/46/1070022746.db2.gz ZBSNLHOYAZAZQM-UHFFFAOYSA-N 1 0 413.496 -0.301 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000479867631 1070028592 /nfs/dbraw/zinc/02/85/92/1070028592.db2.gz RNHOSZOBPCWSSP-CRAIPNDOSA-N 1 0 400.545 -0.853 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000479867632 1070028441 /nfs/dbraw/zinc/02/84/41/1070028441.db2.gz RNHOSZOBPCWSSP-MAUKXSAKSA-N 1 0 400.545 -0.853 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000479867633 1070028801 /nfs/dbraw/zinc/02/88/01/1070028801.db2.gz RNHOSZOBPCWSSP-QAPCUYQASA-N 1 0 400.545 -0.853 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000479867634 1070028727 /nfs/dbraw/zinc/02/87/27/1070028727.db2.gz RNHOSZOBPCWSSP-YJBOKZPZSA-N 1 0 400.545 -0.853 20 0 HBADRO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479872254 1070024991 /nfs/dbraw/zinc/02/49/91/1070024991.db2.gz IMJFUEADTQGQLF-CALCHBBNSA-N 1 0 420.535 -0.023 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479880710 1070026994 /nfs/dbraw/zinc/02/69/94/1070026994.db2.gz DXFNKHOFZJYKLP-GOSISDBHSA-N 1 0 402.561 -0.653 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479880711 1070027208 /nfs/dbraw/zinc/02/72/08/1070027208.db2.gz DXFNKHOFZJYKLP-SFHVURJKSA-N 1 0 402.561 -0.653 20 0 HBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000479881936 1070028027 /nfs/dbraw/zinc/02/80/27/1070028027.db2.gz IXRWABMAXJMUGW-CALCHBBNSA-N 1 0 406.508 -0.169 20 0 HBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000479898645 1070029407 /nfs/dbraw/zinc/02/94/07/1070029407.db2.gz PJLNHYHYORJKRR-CALCHBBNSA-N 1 0 406.508 -0.169 20 0 HBADRO COc1ccc(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000479907929 1070033890 /nfs/dbraw/zinc/03/38/90/1070033890.db2.gz CUZYLFUZMCQORI-IYBDPMFKSA-N 1 0 409.508 -0.064 20 0 HBADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479922748 1070033258 /nfs/dbraw/zinc/03/32/58/1070033258.db2.gz DBBJNYSJQMKPPS-IBGZPJMESA-N 1 0 414.572 -0.869 20 0 HBADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479922751 1070033296 /nfs/dbraw/zinc/03/32/96/1070033296.db2.gz DBBJNYSJQMKPPS-LJQANCHMSA-N 1 0 414.572 -0.869 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000479925397 1070036079 /nfs/dbraw/zinc/03/60/79/1070036079.db2.gz OCXBLQPLTKSQIR-UHFFFAOYSA-N 1 0 403.531 -0.389 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)c1=O ZINC000479930383 1070037420 /nfs/dbraw/zinc/03/74/20/1070037420.db2.gz WBLYQFDZHARLNN-HNNXBMFYSA-N 1 0 406.531 -0.089 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)c1=O ZINC000479930384 1070037402 /nfs/dbraw/zinc/03/74/02/1070037402.db2.gz WBLYQFDZHARLNN-OAHLLOKOSA-N 1 0 406.531 -0.089 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479961859 1070045340 /nfs/dbraw/zinc/04/53/40/1070045340.db2.gz GXGXLRCYAXLOCZ-APWZRJJASA-N 1 0 414.572 -0.463 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479961860 1070046148 /nfs/dbraw/zinc/04/61/48/1070046148.db2.gz GXGXLRCYAXLOCZ-LPHOPBHVSA-N 1 0 414.572 -0.463 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479961861 1070045781 /nfs/dbraw/zinc/04/57/81/1070045781.db2.gz GXGXLRCYAXLOCZ-QFBILLFUSA-N 1 0 414.572 -0.463 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479961863 1070046009 /nfs/dbraw/zinc/04/60/09/1070046009.db2.gz GXGXLRCYAXLOCZ-VQIMIIECSA-N 1 0 414.572 -0.463 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000479964886 1070045877 /nfs/dbraw/zinc/04/58/77/1070045877.db2.gz MEIUHUAGJKSTBW-UHFFFAOYSA-N 1 0 421.523 -0.029 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000479965675 1070046792 /nfs/dbraw/zinc/04/67/92/1070046792.db2.gz OZQPPQNMBRHJRX-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C(=O)C1=O ZINC000479979221 1070049959 /nfs/dbraw/zinc/04/99/59/1070049959.db2.gz YTLCIRQTPBRZQK-UHFFFAOYSA-N 1 0 402.495 -0.050 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)(C)C ZINC000479990408 1070048614 /nfs/dbraw/zinc/04/86/14/1070048614.db2.gz FVKNUBONNYPSNY-HNNXBMFYSA-N 1 0 409.531 -0.582 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)(C)C ZINC000479990435 1070049367 /nfs/dbraw/zinc/04/93/67/1070049367.db2.gz FVKNUBONNYPSNY-OAHLLOKOSA-N 1 0 409.531 -0.582 20 0 HBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)C2)C1 ZINC000480031708 1070058813 /nfs/dbraw/zinc/05/88/13/1070058813.db2.gz SQEMXAHTXSPJTH-FQEVSTJZSA-N 1 0 401.467 -0.216 20 0 HBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)C2)C1 ZINC000480031709 1070059111 /nfs/dbraw/zinc/05/91/11/1070059111.db2.gz SQEMXAHTXSPJTH-HXUWFJFHSA-N 1 0 401.467 -0.216 20 0 HBADRO CN(C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1)S(C)(=O)=O ZINC000480051580 1070061080 /nfs/dbraw/zinc/06/10/80/1070061080.db2.gz QQXDNUDBGTXONH-UHFFFAOYSA-N 1 0 410.544 -0.129 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)nn1C ZINC000480059720 1070061818 /nfs/dbraw/zinc/06/18/18/1070061818.db2.gz KOMLIFLWXFBDBK-PBHICJAKSA-N 1 0 406.531 -0.162 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)nn1C ZINC000480059723 1070062006 /nfs/dbraw/zinc/06/20/06/1070062006.db2.gz KOMLIFLWXFBDBK-RHSMWYFYSA-N 1 0 406.531 -0.162 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000480059725 1070062208 /nfs/dbraw/zinc/06/22/08/1070062208.db2.gz KOMLIFLWXFBDBK-WMLDXEAASA-N 1 0 406.531 -0.162 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000480059727 1070061957 /nfs/dbraw/zinc/06/19/57/1070061957.db2.gz KOMLIFLWXFBDBK-YOEHRIQHSA-N 1 0 406.531 -0.162 20 0 HBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)C1 ZINC000480066966 1070062548 /nfs/dbraw/zinc/06/25/48/1070062548.db2.gz IGVARMZSDBKDKE-FQEVSTJZSA-N 1 0 418.498 -0.375 20 0 HBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)C1 ZINC000480066968 1070062598 /nfs/dbraw/zinc/06/25/98/1070062598.db2.gz IGVARMZSDBKDKE-HXUWFJFHSA-N 1 0 418.498 -0.375 20 0 HBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)C1 ZINC000480101035 1069554213 /nfs/dbraw/zinc/55/42/13/1069554213.db2.gz YYSUMQLXBAZZPB-FQEVSTJZSA-N 1 0 418.498 -0.375 20 0 HBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)C1 ZINC000480101037 1069554295 /nfs/dbraw/zinc/55/42/95/1069554295.db2.gz YYSUMQLXBAZZPB-HXUWFJFHSA-N 1 0 418.498 -0.375 20 0 HBADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000480102084 1070065270 /nfs/dbraw/zinc/06/52/70/1070065270.db2.gz ZJDRBWUSZMVSSA-IBGZPJMESA-N 1 0 406.527 -0.094 20 0 HBADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000480102085 1070066030 /nfs/dbraw/zinc/06/60/30/1070066030.db2.gz ZJDRBWUSZMVSSA-LJQANCHMSA-N 1 0 406.527 -0.094 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2c(C)nn(C)c2OC)CC1 ZINC000480123507 1070068208 /nfs/dbraw/zinc/06/82/08/1070068208.db2.gz KTNWXGSRVZDHCF-UHFFFAOYSA-N 1 0 408.503 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)C1 ZINC000480153049 1070071994 /nfs/dbraw/zinc/07/19/94/1070071994.db2.gz DYTVKYMVNRDAPD-FQEVSTJZSA-N 1 0 400.483 -0.099 20 0 HBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)C1 ZINC000480153050 1070072034 /nfs/dbraw/zinc/07/20/34/1070072034.db2.gz DYTVKYMVNRDAPD-HXUWFJFHSA-N 1 0 400.483 -0.099 20 0 HBADRO CNc1nc(N2CCO[C@@H](C(=O)C3CC3)C2)nc(N2CCO[C@H](C(=O)C3CC3)C2)[nH+]1 ZINC000480201259 1070078545 /nfs/dbraw/zinc/07/85/45/1070078545.db2.gz VZMLRTIRDKBFIL-GASCZTMLSA-N 1 0 416.482 -0.296 20 0 HBADRO CNc1nc(N2CCO[C@H](C(=O)C3CC3)C2)nc(N2CCO[C@H](C(=O)C3CC3)C2)[nH+]1 ZINC000480201260 1070078913 /nfs/dbraw/zinc/07/89/13/1070078913.db2.gz VZMLRTIRDKBFIL-GJZGRUSLSA-N 1 0 416.482 -0.296 20 0 HBADRO CNc1nc(N2CCO[C@@H](C(=O)C3CC3)C2)nc(N2CCO[C@@H](C(=O)C3CC3)C2)[nH+]1 ZINC000480201261 1070078501 /nfs/dbraw/zinc/07/85/01/1070078501.db2.gz VZMLRTIRDKBFIL-HUUCEWRRSA-N 1 0 416.482 -0.296 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cnc2n(C)c1=O ZINC000480211769 1070081915 /nfs/dbraw/zinc/08/19/15/1070081915.db2.gz GOZYQZYPQPPTGE-FQEVSTJZSA-N 1 0 414.466 -0.485 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cnc2n(C)c1=O ZINC000480211770 1070081878 /nfs/dbraw/zinc/08/18/78/1070081878.db2.gz GOZYQZYPQPPTGE-HXUWFJFHSA-N 1 0 414.466 -0.485 20 0 HBADRO COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480257401 1070084764 /nfs/dbraw/zinc/08/47/64/1070084764.db2.gz DPODXSRLUVPLDW-CYBMUJFWSA-N 1 0 401.489 -0.886 20 0 HBADRO COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480257406 1070084677 /nfs/dbraw/zinc/08/46/77/1070084677.db2.gz DPODXSRLUVPLDW-ZDUSSCGKSA-N 1 0 401.489 -0.886 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000480279238 1070087340 /nfs/dbraw/zinc/08/73/40/1070087340.db2.gz RAZUSHDSYGHOMF-UHFFFAOYSA-N 1 0 414.576 -0.108 20 0 HBADRO COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480282308 1070087385 /nfs/dbraw/zinc/08/73/85/1070087385.db2.gz YOAMUYQATSJRDU-HNNXBMFYSA-N 1 0 422.573 -0.114 20 0 HBADRO COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480282310 1070087567 /nfs/dbraw/zinc/08/75/67/1070087567.db2.gz YOAMUYQATSJRDU-OAHLLOKOSA-N 1 0 422.573 -0.114 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000480287281 1070086802 /nfs/dbraw/zinc/08/68/02/1070086802.db2.gz GDHLQGNTPWWADH-UHFFFAOYSA-N 1 0 407.562 -0.282 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000480323365 1070089325 /nfs/dbraw/zinc/08/93/25/1070089325.db2.gz DXOBRSFNCFFFFS-UHFFFAOYSA-N 1 0 417.514 -0.862 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000480323792 1070090862 /nfs/dbraw/zinc/09/08/62/1070090862.db2.gz FWGJGRBDQBLHBH-UHFFFAOYSA-N 1 0 416.526 -0.257 20 0 HBADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480334532 1070090019 /nfs/dbraw/zinc/09/00/19/1070090019.db2.gz LHYRNXFOEUDGKW-ZDUSSCGKSA-N 1 0 422.529 -0.978 20 0 HBADRO COCCC(=O)N1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480339215 1070090952 /nfs/dbraw/zinc/09/09/52/1070090952.db2.gz FBDQLRIVXRWEQK-UHFFFAOYSA-N 1 0 401.533 -0.069 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000480340704 1070090604 /nfs/dbraw/zinc/09/06/04/1070090604.db2.gz ZDEWVCFKVHUXRG-UHFFFAOYSA-N 1 0 402.459 -0.010 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480357392 1070091871 /nfs/dbraw/zinc/09/18/71/1070091871.db2.gz OSUHBUAINAUCPL-CHWSQXEVSA-N 1 0 417.532 -0.204 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480357393 1070092250 /nfs/dbraw/zinc/09/22/50/1070092250.db2.gz OSUHBUAINAUCPL-OLZOCXBDSA-N 1 0 417.532 -0.204 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480357394 1070092209 /nfs/dbraw/zinc/09/22/09/1070092209.db2.gz OSUHBUAINAUCPL-QWHCGFSZSA-N 1 0 417.532 -0.204 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480357395 1070091893 /nfs/dbraw/zinc/09/18/93/1070091893.db2.gz OSUHBUAINAUCPL-STQMWFEESA-N 1 0 417.532 -0.204 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCNS(=O)(=O)NC(C)C ZINC000480363476 1070091989 /nfs/dbraw/zinc/09/19/89/1070091989.db2.gz PJFDVIGGUIQALK-UHFFFAOYSA-N 1 0 410.566 -0.828 20 0 HBADRO CCS(=O)(=O)N1CC(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000480372973 1070092531 /nfs/dbraw/zinc/09/25/31/1070092531.db2.gz UHLIUGBQBHGAOG-UHFFFAOYSA-N 1 0 407.562 -0.379 20 0 HBADRO COCCN1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1=O ZINC000480395472 1070093917 /nfs/dbraw/zinc/09/39/17/1070093917.db2.gz QUJSWCPQYIRZTD-UHFFFAOYSA-N 1 0 401.533 -0.069 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000480419168 1070094773 /nfs/dbraw/zinc/09/47/73/1070094773.db2.gz PWDXGGFJIQWNNM-KRWDZBQOSA-N 1 0 416.569 -0.080 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000480419194 1070094467 /nfs/dbraw/zinc/09/44/67/1070094467.db2.gz PWDXGGFJIQWNNM-QGZVFWFLSA-N 1 0 416.569 -0.080 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC000480420438 1069334936 /nfs/dbraw/zinc/33/49/36/1069334936.db2.gz UVXJHAKKCHIVCZ-HLLBOEOZSA-N 1 0 415.560 -0.495 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1C ZINC000480420442 1069334962 /nfs/dbraw/zinc/33/49/62/1069334962.db2.gz UVXJHAKKCHIVCZ-INMHGKMJSA-N 1 0 415.560 -0.495 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC000480420444 1069335137 /nfs/dbraw/zinc/33/51/37/1069335137.db2.gz UVXJHAKKCHIVCZ-UXLLHSPISA-N 1 0 415.560 -0.495 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1C ZINC000480420445 1069334913 /nfs/dbraw/zinc/33/49/13/1069334913.db2.gz UVXJHAKKCHIVCZ-ZOBUZTSGSA-N 1 0 415.560 -0.495 20 0 HBADRO CN(CCN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000480451576 1070100650 /nfs/dbraw/zinc/10/06/50/1070100650.db2.gz FNEIYYULNNRSBO-UHFFFAOYSA-N 1 0 424.633 -0.054 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000480452632 1070098007 /nfs/dbraw/zinc/09/80/07/1070098007.db2.gz IDMLWKYWHONODD-AWEZNQCLSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000480452633 1070097688 /nfs/dbraw/zinc/09/76/88/1070097688.db2.gz IDMLWKYWHONODD-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO COCC(=O)N1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480454861 1070098101 /nfs/dbraw/zinc/09/81/01/1070098101.db2.gz QSNYJAJZEYFVEX-UHFFFAOYSA-N 1 0 401.533 -0.023 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC(=O)N1CCN(C)CC1 ZINC000480472194 1070104873 /nfs/dbraw/zinc/10/48/73/1070104873.db2.gz IBECHWCZGHHALL-UHFFFAOYSA-N 1 0 400.549 -0.496 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1C ZINC000480475471 1070105882 /nfs/dbraw/zinc/10/58/82/1070105882.db2.gz FURPFXCUYYAAPY-UHFFFAOYSA-N 1 0 418.541 -0.702 20 0 HBADRO CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480483139 1070103911 /nfs/dbraw/zinc/10/39/11/1070103911.db2.gz SWIDEBGVNFNUKH-UHFFFAOYSA-N 1 0 400.549 -0.496 20 0 HBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000480519991 1070114129 /nfs/dbraw/zinc/11/41/29/1070114129.db2.gz CHIQGYHOTHCYHF-HNNXBMFYSA-N 1 0 424.589 -0.835 20 0 HBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000480519994 1070115173 /nfs/dbraw/zinc/11/51/73/1070115173.db2.gz CHIQGYHOTHCYHF-OAHLLOKOSA-N 1 0 424.589 -0.835 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000480526975 1070116975 /nfs/dbraw/zinc/11/69/75/1070116975.db2.gz NFKBDQYMVAGKAW-GFCCVEGCSA-N 1 0 404.514 -0.649 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000480526990 1070117174 /nfs/dbraw/zinc/11/71/74/1070117174.db2.gz NFKBDQYMVAGKAW-LBPRGKRZSA-N 1 0 404.514 -0.649 20 0 HBADRO CCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480528564 1070117086 /nfs/dbraw/zinc/11/70/86/1070117086.db2.gz LIJFCYLNOCYQKF-UHFFFAOYSA-N 1 0 407.562 -0.282 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480531745 1070115324 /nfs/dbraw/zinc/11/53/24/1070115324.db2.gz YCSBMTHUNQIYTJ-UHFFFAOYSA-N 1 0 418.541 -0.436 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480535905 1070115971 /nfs/dbraw/zinc/11/59/71/1070115971.db2.gz AGMWNCPHJUVDOE-UHFFFAOYSA-N 1 0 418.541 -0.340 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000480540557 1070116230 /nfs/dbraw/zinc/11/62/30/1070116230.db2.gz XGJVPDYGOIVLAV-UHFFFAOYSA-N 1 0 416.525 -0.586 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)nn1C ZINC000480564856 1070119464 /nfs/dbraw/zinc/11/94/64/1070119464.db2.gz CNCQIXYPZBUIMF-UHFFFAOYSA-N 1 0 406.487 -0.880 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480583148 1070120557 /nfs/dbraw/zinc/12/05/57/1070120557.db2.gz OCLKORWOTSZLMM-KRWDZBQOSA-N 1 0 422.555 -0.961 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480583161 1070120500 /nfs/dbraw/zinc/12/05/00/1070120500.db2.gz OCLKORWOTSZLMM-QGZVFWFLSA-N 1 0 422.555 -0.961 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)nn1C ZINC000480584082 1070120456 /nfs/dbraw/zinc/12/04/56/1070120456.db2.gz PDVVJBVPGNDYAP-HNNXBMFYSA-N 1 0 406.487 -0.882 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)nn1C ZINC000480584085 1070121341 /nfs/dbraw/zinc/12/13/41/1070121341.db2.gz PDVVJBVPGNDYAP-OAHLLOKOSA-N 1 0 406.487 -0.882 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000480587148 1070124149 /nfs/dbraw/zinc/12/41/49/1070124149.db2.gz VEVWHGBERVXUDK-AWEZNQCLSA-N 1 0 406.531 -0.020 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000480587149 1070124017 /nfs/dbraw/zinc/12/40/17/1070124017.db2.gz VEVWHGBERVXUDK-CQSZACIVSA-N 1 0 406.531 -0.020 20 0 HBADRO CNc1nc(NC[C@H]2CCCN(C(C)=O)C2)nc(NC[C@H]2CCCN(C(C)=O)C2)[nH+]1 ZINC000480600292 1070124076 /nfs/dbraw/zinc/12/40/76/1070124076.db2.gz HBGLIXVFQKVQMN-IAGOWNOFSA-N 1 0 418.546 -0.480 20 0 HBADRO CNc1nc(NC[C@@H]2CCCN(C(C)=O)C2)nc(NC[C@@H]2CCCN(C(C)=O)C2)[nH+]1 ZINC000480600293 1070123871 /nfs/dbraw/zinc/12/38/71/1070123871.db2.gz HBGLIXVFQKVQMN-IRXDYDNUSA-N 1 0 418.546 -0.480 20 0 HBADRO Cn1cc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000480601862 1070124026 /nfs/dbraw/zinc/12/40/26/1070124026.db2.gz REJWITPYSRAFOL-IYBDPMFKSA-N 1 0 404.492 -0.164 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000480637900 1070129384 /nfs/dbraw/zinc/12/93/84/1070129384.db2.gz HPNCVTMZRKURHV-UHFFFAOYSA-N 1 0 405.542 -0.114 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000480638400 1070130298 /nfs/dbraw/zinc/13/02/98/1070130298.db2.gz STFHDJZBMUCFEA-AWEZNQCLSA-N 1 0 407.562 -0.249 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000480638404 1070130341 /nfs/dbraw/zinc/13/03/41/1070130341.db2.gz STFHDJZBMUCFEA-CQSZACIVSA-N 1 0 407.562 -0.249 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)nn1C ZINC000480641579 1070127501 /nfs/dbraw/zinc/12/75/01/1070127501.db2.gz CUSVOFAURBQAMK-UHFFFAOYSA-N 1 0 406.531 -0.161 20 0 HBADRO COc1c(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C)nn1C ZINC000480653385 1070132506 /nfs/dbraw/zinc/13/25/06/1070132506.db2.gz ZQSVEKYFJBWBIV-HNNXBMFYSA-N 1 0 408.503 -0.588 20 0 HBADRO COc1c(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)nn1C ZINC000480653386 1070132527 /nfs/dbraw/zinc/13/25/27/1070132527.db2.gz ZQSVEKYFJBWBIV-OAHLLOKOSA-N 1 0 408.503 -0.588 20 0 HBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CCSC1 ZINC000480654106 1070132573 /nfs/dbraw/zinc/13/25/73/1070132573.db2.gz SHFYNTRJWDWOFC-GFCCVEGCSA-N 1 0 416.525 -0.351 20 0 HBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CCSC1 ZINC000480654109 1070132707 /nfs/dbraw/zinc/13/27/07/1070132707.db2.gz SHFYNTRJWDWOFC-LBPRGKRZSA-N 1 0 416.525 -0.351 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)nn1C ZINC000480654585 1070132735 /nfs/dbraw/zinc/13/27/35/1070132735.db2.gz UALQRDOGYXISPF-INIZCTEOSA-N 1 0 406.531 -0.018 20 0 HBADRO COc1c(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)nn1C ZINC000480654586 1070132666 /nfs/dbraw/zinc/13/26/66/1070132666.db2.gz UALQRDOGYXISPF-MRXNPFEDSA-N 1 0 406.531 -0.018 20 0 HBADRO COc1c(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(C)nn1C ZINC000480655353 1070132550 /nfs/dbraw/zinc/13/25/50/1070132550.db2.gz WEKYORKWOJAGRK-UHFFFAOYSA-N 1 0 415.498 -0.183 20 0 HBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000480660734 1070130808 /nfs/dbraw/zinc/13/08/08/1070130808.db2.gz GMLBLPJNBAHUQZ-INIZCTEOSA-N 1 0 411.590 -0.186 20 0 HBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000480660737 1070130940 /nfs/dbraw/zinc/13/09/40/1070130940.db2.gz GMLBLPJNBAHUQZ-MRXNPFEDSA-N 1 0 411.590 -0.186 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480660949 1070133536 /nfs/dbraw/zinc/13/35/36/1070133536.db2.gz PRYKFGWTDMCTQJ-INIZCTEOSA-N 1 0 411.590 -0.330 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480660964 1070133694 /nfs/dbraw/zinc/13/36/94/1070133694.db2.gz PRYKFGWTDMCTQJ-MRXNPFEDSA-N 1 0 411.590 -0.330 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000480661341 1070130764 /nfs/dbraw/zinc/13/07/64/1070130764.db2.gz JVXJUXQXLBCXBC-HNNXBMFYSA-N 1 0 409.516 -0.121 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000480661345 1070130859 /nfs/dbraw/zinc/13/08/59/1070130859.db2.gz JVXJUXQXLBCXBC-OAHLLOKOSA-N 1 0 409.516 -0.121 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1C ZINC000480663303 1070136152 /nfs/dbraw/zinc/13/61/52/1070136152.db2.gz VMPNNDCSUOPGKA-UHFFFAOYSA-N 1 0 423.557 -0.536 20 0 HBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480663941 1070136216 /nfs/dbraw/zinc/13/62/16/1070136216.db2.gz WFBTVJJLMJKDHQ-INIZCTEOSA-N 1 0 424.633 -0.149 20 0 HBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480663942 1070136336 /nfs/dbraw/zinc/13/63/36/1070136336.db2.gz WFBTVJJLMJKDHQ-MRXNPFEDSA-N 1 0 424.633 -0.149 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC000480666289 1070133776 /nfs/dbraw/zinc/13/37/76/1070133776.db2.gz PFOGJAQEGHRTGI-AWEZNQCLSA-N 1 0 402.542 -0.114 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC000480666290 1070133708 /nfs/dbraw/zinc/13/37/08/1070133708.db2.gz PFOGJAQEGHRTGI-CQSZACIVSA-N 1 0 402.542 -0.114 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000480667132 1070134849 /nfs/dbraw/zinc/13/48/49/1070134849.db2.gz QXWUGJNJJQIVMQ-KRWDZBQOSA-N 1 0 422.617 -0.300 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000480667147 1070134565 /nfs/dbraw/zinc/13/45/65/1070134565.db2.gz QXWUGJNJJQIVMQ-QGZVFWFLSA-N 1 0 422.617 -0.300 20 0 HBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cn1 ZINC000480668722 1070134698 /nfs/dbraw/zinc/13/46/98/1070134698.db2.gz MLKWOPRUDZRYFP-UHFFFAOYSA-N 1 0 420.557 -0.847 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000480671516 1070134805 /nfs/dbraw/zinc/13/48/05/1070134805.db2.gz QIUOCKIRXMEOOY-AWEZNQCLSA-N 1 0 404.558 -0.183 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000480671529 1070134841 /nfs/dbraw/zinc/13/48/41/1070134841.db2.gz QIUOCKIRXMEOOY-CQSZACIVSA-N 1 0 404.558 -0.183 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000480678557 1070135529 /nfs/dbraw/zinc/13/55/29/1070135529.db2.gz HWHUBAGLEOCFPC-AWEZNQCLSA-N 1 0 404.558 -0.183 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000480678558 1070135295 /nfs/dbraw/zinc/13/52/95/1070135295.db2.gz HWHUBAGLEOCFPC-CQSZACIVSA-N 1 0 404.558 -0.183 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480759545 1070146732 /nfs/dbraw/zinc/14/67/32/1070146732.db2.gz GSEWFRHVRUEFRN-AWEZNQCLSA-N 1 0 407.562 -0.236 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480759546 1070146711 /nfs/dbraw/zinc/14/67/11/1070146711.db2.gz GSEWFRHVRUEFRN-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000480766405 1070145903 /nfs/dbraw/zinc/14/59/03/1070145903.db2.gz QRXPWPCHOFZONX-CXAGYDPISA-N 1 0 412.516 -0.282 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000480766415 1070145965 /nfs/dbraw/zinc/14/59/65/1070145965.db2.gz QRXPWPCHOFZONX-DYVFJYSZSA-N 1 0 412.516 -0.282 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000480766418 1070145952 /nfs/dbraw/zinc/14/59/52/1070145952.db2.gz QRXPWPCHOFZONX-GUYCJALGSA-N 1 0 412.516 -0.282 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000480766422 1070145738 /nfs/dbraw/zinc/14/57/38/1070145738.db2.gz QRXPWPCHOFZONX-SUMWQHHRSA-N 1 0 412.516 -0.282 20 0 HBADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000480782367 1070148473 /nfs/dbraw/zinc/14/84/73/1070148473.db2.gz XHAIVRCTOAPZDA-UHFFFAOYSA-N 1 0 410.496 -0.155 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480806950 1070151822 /nfs/dbraw/zinc/15/18/22/1070151822.db2.gz VAFLKZYFVISBLL-AWEZNQCLSA-N 1 0 416.525 -0.588 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480806952 1070151963 /nfs/dbraw/zinc/15/19/63/1070151963.db2.gz VAFLKZYFVISBLL-CQSZACIVSA-N 1 0 416.525 -0.588 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000480838461 1070154921 /nfs/dbraw/zinc/15/49/21/1070154921.db2.gz ILEIPKWCJGUWDZ-INIZCTEOSA-N 1 0 405.484 -0.411 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000480838462 1070154797 /nfs/dbraw/zinc/15/47/97/1070154797.db2.gz ILEIPKWCJGUWDZ-MRXNPFEDSA-N 1 0 405.484 -0.411 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000480839095 1070154990 /nfs/dbraw/zinc/15/49/90/1070154990.db2.gz IYQOQYTYEFQAHJ-KRWDZBQOSA-N 1 0 406.508 -0.100 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000480839099 1070154884 /nfs/dbraw/zinc/15/48/84/1070154884.db2.gz IYQOQYTYEFQAHJ-QGZVFWFLSA-N 1 0 406.508 -0.100 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000480840042 1070154948 /nfs/dbraw/zinc/15/49/48/1070154948.db2.gz KVQAIUKZFWUVAK-INIZCTEOSA-N 1 0 416.544 -0.255 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000480840047 1070154859 /nfs/dbraw/zinc/15/48/59/1070154859.db2.gz KVQAIUKZFWUVAK-MRXNPFEDSA-N 1 0 416.544 -0.255 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C(N)=O ZINC000480843472 1070155879 /nfs/dbraw/zinc/15/58/79/1070155879.db2.gz MSXZVSJGKBVZGU-HNNXBMFYSA-N 1 0 410.496 -0.279 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C(N)=O ZINC000480843478 1070155844 /nfs/dbraw/zinc/15/58/44/1070155844.db2.gz MSXZVSJGKBVZGU-OAHLLOKOSA-N 1 0 410.496 -0.279 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000480843679 1070155618 /nfs/dbraw/zinc/15/56/18/1070155618.db2.gz PDCCSDVBCRUVBM-HNNXBMFYSA-N 1 0 421.479 -0.857 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000480843684 1070155560 /nfs/dbraw/zinc/15/55/60/1070155560.db2.gz PDCCSDVBCRUVBM-OAHLLOKOSA-N 1 0 421.479 -0.857 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000480844683 1070155661 /nfs/dbraw/zinc/15/56/61/1070155661.db2.gz QWIFCIAPHCZAAB-INIZCTEOSA-N 1 0 405.484 -0.411 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000480844684 1070155713 /nfs/dbraw/zinc/15/57/13/1070155713.db2.gz QWIFCIAPHCZAAB-MRXNPFEDSA-N 1 0 405.484 -0.411 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000480859556 1070156656 /nfs/dbraw/zinc/15/66/56/1070156656.db2.gz HRSCRELFKSEIAU-KBPBESRZSA-N 1 0 402.561 -0.133 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000480859557 1070157694 /nfs/dbraw/zinc/15/76/94/1070157694.db2.gz HRSCRELFKSEIAU-OKILXGFUSA-N 1 0 402.561 -0.133 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000480859558 1070157448 /nfs/dbraw/zinc/15/74/48/1070157448.db2.gz HRSCRELFKSEIAU-ZIAGYGMSSA-N 1 0 402.561 -0.133 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000480863358 1070161570 /nfs/dbraw/zinc/16/15/70/1070161570.db2.gz KQGBDDYYVZVWCE-AWEZNQCLSA-N 1 0 422.577 -0.745 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000480863359 1070161732 /nfs/dbraw/zinc/16/17/32/1070161732.db2.gz KQGBDDYYVZVWCE-CQSZACIVSA-N 1 0 422.577 -0.745 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000480865918 1070159138 /nfs/dbraw/zinc/15/91/38/1070159138.db2.gz ASJKQFDDPSZIIQ-HNNXBMFYSA-N 1 0 402.517 -0.645 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000480865922 1070159277 /nfs/dbraw/zinc/15/92/77/1070159277.db2.gz ASJKQFDDPSZIIQ-OAHLLOKOSA-N 1 0 402.517 -0.645 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000480868734 1070159933 /nfs/dbraw/zinc/15/99/33/1070159933.db2.gz IOAOVBOBAVSCLS-INIZCTEOSA-N 1 0 419.511 -0.196 20 0 HBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000480868736 1070159954 /nfs/dbraw/zinc/15/99/54/1070159954.db2.gz IOAOVBOBAVSCLS-MRXNPFEDSA-N 1 0 419.511 -0.196 20 0 HBADRO Cc1nnc(CN2CCN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)CC2)[nH]1 ZINC000480870374 1070160900 /nfs/dbraw/zinc/16/09/00/1070160900.db2.gz KVADHBSOWAJIMV-UHFFFAOYSA-N 1 0 410.548 -0.005 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000480871753 1070160876 /nfs/dbraw/zinc/16/08/76/1070160876.db2.gz NOYRHEDZCGUDSI-HNNXBMFYSA-N 1 0 416.525 -0.739 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000480871754 1070160837 /nfs/dbraw/zinc/16/08/37/1070160837.db2.gz NOYRHEDZCGUDSI-OAHLLOKOSA-N 1 0 416.525 -0.739 20 0 HBADRO COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480873691 1070161553 /nfs/dbraw/zinc/16/15/53/1070161553.db2.gz LHYRNXFOEUDGKW-CYBMUJFWSA-N 1 0 422.529 -0.978 20 0 HBADRO COC(=O)c1cn(C2CN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)C2)nn1 ZINC000480874728 1070161739 /nfs/dbraw/zinc/16/17/39/1070161739.db2.gz YPRIERWFEBQZKU-UHFFFAOYSA-N 1 0 411.488 -0.315 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000480876350 1070163428 /nfs/dbraw/zinc/16/34/28/1070163428.db2.gz IBOPDYHPAFIXQE-BZUAXINKSA-N 1 0 402.561 -0.037 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000480876351 1070163522 /nfs/dbraw/zinc/16/35/22/1070163522.db2.gz IBOPDYHPAFIXQE-HRCADAONSA-N 1 0 402.561 -0.037 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480876352 1070163481 /nfs/dbraw/zinc/16/34/81/1070163481.db2.gz IBOPDYHPAFIXQE-OWCLPIDISA-N 1 0 402.561 -0.037 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480876353 1070163380 /nfs/dbraw/zinc/16/33/80/1070163380.db2.gz IBOPDYHPAFIXQE-XHSDSOJGSA-N 1 0 402.561 -0.037 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000480877412 1070164454 /nfs/dbraw/zinc/16/44/54/1070164454.db2.gz VQSWBZAVWODEEI-HNNXBMFYSA-N 1 0 421.479 -0.032 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000480877415 1070164439 /nfs/dbraw/zinc/16/44/39/1070164439.db2.gz VQSWBZAVWODEEI-OAHLLOKOSA-N 1 0 421.479 -0.032 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2C1=O ZINC000480877505 1070164416 /nfs/dbraw/zinc/16/44/16/1070164416.db2.gz PQXKGBXGVFQPCG-INIZCTEOSA-N 1 0 420.491 -0.161 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2C1=O ZINC000480877507 1070164303 /nfs/dbraw/zinc/16/43/03/1070164303.db2.gz PQXKGBXGVFQPCG-MRXNPFEDSA-N 1 0 420.491 -0.161 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000480880366 1070164227 /nfs/dbraw/zinc/16/42/27/1070164227.db2.gz VPFUPNILECBAIC-CABCVRRESA-N 1 0 402.517 -0.503 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000480880367 1070164405 /nfs/dbraw/zinc/16/44/05/1070164405.db2.gz VPFUPNILECBAIC-GJZGRUSLSA-N 1 0 402.517 -0.503 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000480880368 1070164364 /nfs/dbraw/zinc/16/43/64/1070164364.db2.gz VPFUPNILECBAIC-HUUCEWRRSA-N 1 0 402.517 -0.503 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000480880369 1070164429 /nfs/dbraw/zinc/16/44/29/1070164429.db2.gz VPFUPNILECBAIC-LSDHHAIUSA-N 1 0 402.517 -0.503 20 0 HBADRO Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2n(C)c1=O ZINC000480880376 1070164326 /nfs/dbraw/zinc/16/43/26/1070164326.db2.gz VEJAXHZMFZUSCF-INIZCTEOSA-N 1 0 421.523 -0.196 20 0 HBADRO Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2n(C)c1=O ZINC000480880377 1070164478 /nfs/dbraw/zinc/16/44/78/1070164478.db2.gz VEJAXHZMFZUSCF-MRXNPFEDSA-N 1 0 421.523 -0.196 20 0 HBADRO COC(=O)c1nscc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000480881961 1070164248 /nfs/dbraw/zinc/16/42/48/1070164248.db2.gz XSPBEONYXQUZSL-LLVKDONJSA-N 1 0 402.498 -0.143 20 0 HBADRO COC(=O)c1nscc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000480881972 1070164277 /nfs/dbraw/zinc/16/42/77/1070164277.db2.gz XSPBEONYXQUZSL-NSHDSACASA-N 1 0 402.498 -0.143 20 0 HBADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000480888936 1070162562 /nfs/dbraw/zinc/16/25/62/1070162562.db2.gz ZZMSUXRFGFFLLO-HNNXBMFYSA-N 1 0 421.542 -0.438 20 0 HBADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000480888953 1070162610 /nfs/dbraw/zinc/16/26/10/1070162610.db2.gz ZZMSUXRFGFFLLO-OAHLLOKOSA-N 1 0 421.542 -0.438 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000480895004 1070166272 /nfs/dbraw/zinc/16/62/72/1070166272.db2.gz GYFFRMHAKSCBDE-UHFFFAOYSA-N 1 0 412.516 -0.234 20 0 HBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480898619 1070167091 /nfs/dbraw/zinc/16/70/91/1070167091.db2.gz NHQOEVTYDAPTND-HNNXBMFYSA-N 1 0 410.606 -0.397 20 0 HBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480898620 1070166930 /nfs/dbraw/zinc/16/69/30/1070166930.db2.gz NHQOEVTYDAPTND-OAHLLOKOSA-N 1 0 410.606 -0.397 20 0 HBADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480899152 1070167039 /nfs/dbraw/zinc/16/70/39/1070167039.db2.gz PEJGDHSGTWRIJG-UHFFFAOYSA-N 1 0 424.633 -0.007 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)NCC[NH+](C)C ZINC000480913055 1070167941 /nfs/dbraw/zinc/16/79/41/1070167941.db2.gz TUQMZZHGWXWAFK-AWEZNQCLSA-N 1 0 420.557 -0.144 20 0 HBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000480917796 1070167971 /nfs/dbraw/zinc/16/79/71/1070167971.db2.gz OVKQGSGHTBMXAS-BBWFWOEESA-N 1 0 418.542 -0.089 20 0 HBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000480917797 1070167858 /nfs/dbraw/zinc/16/78/58/1070167858.db2.gz OVKQGSGHTBMXAS-BRWVUGGUSA-N 1 0 418.542 -0.089 20 0 HBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000480917798 1070168761 /nfs/dbraw/zinc/16/87/61/1070168761.db2.gz OVKQGSGHTBMXAS-IXDOHACOSA-N 1 0 418.542 -0.089 20 0 HBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000480917799 1070168788 /nfs/dbraw/zinc/16/87/88/1070168788.db2.gz OVKQGSGHTBMXAS-ZACQAIPSSA-N 1 0 418.542 -0.089 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000480918488 1070168792 /nfs/dbraw/zinc/16/87/92/1070168792.db2.gz VLJLPNCLNROUIT-GASCZTMLSA-N 1 0 402.561 -0.037 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000480918489 1070168721 /nfs/dbraw/zinc/16/87/21/1070168721.db2.gz VLJLPNCLNROUIT-GJZGRUSLSA-N 1 0 402.561 -0.037 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000480918490 1070168752 /nfs/dbraw/zinc/16/87/52/1070168752.db2.gz VLJLPNCLNROUIT-HUUCEWRRSA-N 1 0 402.561 -0.037 20 0 HBADRO COC(=O)CCN1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1=O ZINC000480918531 1070168699 /nfs/dbraw/zinc/16/86/99/1070168699.db2.gz BILZGDJQYMAYTN-AWEZNQCLSA-N 1 0 415.516 -0.496 20 0 HBADRO COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1=O ZINC000480918532 1070168771 /nfs/dbraw/zinc/16/87/71/1070168771.db2.gz BILZGDJQYMAYTN-CQSZACIVSA-N 1 0 415.516 -0.496 20 0 HBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000480939884 1070173609 /nfs/dbraw/zinc/17/36/09/1070173609.db2.gz QJRPCMQUOUDQCV-BBWFWOEESA-N 1 0 407.559 -0.108 20 0 HBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000480939885 1070173460 /nfs/dbraw/zinc/17/34/60/1070173460.db2.gz QJRPCMQUOUDQCV-BRWVUGGUSA-N 1 0 407.559 -0.108 20 0 HBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000480939886 1070173418 /nfs/dbraw/zinc/17/34/18/1070173418.db2.gz QJRPCMQUOUDQCV-IXDOHACOSA-N 1 0 407.559 -0.108 20 0 HBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000480939888 1070173494 /nfs/dbraw/zinc/17/34/94/1070173494.db2.gz QJRPCMQUOUDQCV-ZACQAIPSSA-N 1 0 407.559 -0.108 20 0 HBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480942933 1070171776 /nfs/dbraw/zinc/17/17/76/1070171776.db2.gz APNBQLFNYBBFDL-BZUAXINKSA-N 1 0 421.542 -0.582 20 0 HBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480942939 1070171764 /nfs/dbraw/zinc/17/17/64/1070171764.db2.gz APNBQLFNYBBFDL-OAGGEKHMSA-N 1 0 421.542 -0.582 20 0 HBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480942941 1070172066 /nfs/dbraw/zinc/17/20/66/1070172066.db2.gz APNBQLFNYBBFDL-OWCLPIDISA-N 1 0 421.542 -0.582 20 0 HBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480942943 1070171651 /nfs/dbraw/zinc/17/16/51/1070171651.db2.gz APNBQLFNYBBFDL-XHSDSOJGSA-N 1 0 421.542 -0.582 20 0 HBADRO CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 ZINC000480974007 1070174951 /nfs/dbraw/zinc/17/49/51/1070174951.db2.gz DSVKSAFZEYWXDL-UHFFFAOYSA-N 1 0 423.539 -0.275 20 0 HBADRO Cc1cc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000481060360 1070179934 /nfs/dbraw/zinc/17/99/34/1070179934.db2.gz PZGRBVSTBBAIPM-UHFFFAOYSA-N 1 0 416.490 -0.179 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000481089974 1070182108 /nfs/dbraw/zinc/18/21/08/1070182108.db2.gz WCHGVXQTADBUTL-CVEARBPZSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000481089975 1070182227 /nfs/dbraw/zinc/18/22/27/1070182227.db2.gz WCHGVXQTADBUTL-HOTGVXAUSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000481089976 1070182322 /nfs/dbraw/zinc/18/23/22/1070182322.db2.gz WCHGVXQTADBUTL-HZPDHXFCSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000481089977 1070182193 /nfs/dbraw/zinc/18/21/93/1070182193.db2.gz WCHGVXQTADBUTL-JKSUJKDBSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000481106411 1070183862 /nfs/dbraw/zinc/18/38/62/1070183862.db2.gz MMXVTIIZWVOQTH-KBPBESRZSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000481106413 1070183749 /nfs/dbraw/zinc/18/37/49/1070183749.db2.gz MMXVTIIZWVOQTH-KGLIPLIRSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000481106414 1070183735 /nfs/dbraw/zinc/18/37/35/1070183735.db2.gz MMXVTIIZWVOQTH-UONOGXRCSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000481106416 1070183883 /nfs/dbraw/zinc/18/38/83/1070183883.db2.gz MMXVTIIZWVOQTH-ZIAGYGMSSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000481106547 1070183898 /nfs/dbraw/zinc/18/38/98/1070183898.db2.gz NSXZCZIECRFJPG-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000481106548 1070183770 /nfs/dbraw/zinc/18/37/70/1070183770.db2.gz NSXZCZIECRFJPG-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000481106549 1070183812 /nfs/dbraw/zinc/18/38/12/1070183812.db2.gz NSXZCZIECRFJPG-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000481106550 1070184709 /nfs/dbraw/zinc/18/47/09/1070184709.db2.gz NSXZCZIECRFJPG-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000481133298 1069349325 /nfs/dbraw/zinc/34/93/25/1069349325.db2.gz AFOBLAFSZDKJLP-KRWDZBQOSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000481133299 1069349602 /nfs/dbraw/zinc/34/96/02/1069349602.db2.gz AFOBLAFSZDKJLP-QGZVFWFLSA-N 1 0 423.558 -0.774 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000481144324 1070187881 /nfs/dbraw/zinc/18/78/81/1070187881.db2.gz ZXIFDIVKKXZKTF-UHFFFAOYSA-N 1 0 401.489 -0.910 20 0 HBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000481162923 1070188588 /nfs/dbraw/zinc/18/85/88/1070188588.db2.gz HJZGDJVAJWOBIV-AWEZNQCLSA-N 1 0 412.512 -0.419 20 0 HBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000481162924 1070188606 /nfs/dbraw/zinc/18/86/06/1070188606.db2.gz HJZGDJVAJWOBIV-CQSZACIVSA-N 1 0 412.512 -0.419 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCSC1 ZINC000481188713 1070191173 /nfs/dbraw/zinc/19/11/73/1070191173.db2.gz IRBMYWNLRYUFQQ-INIZCTEOSA-N 1 0 414.509 -0.205 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCSC1 ZINC000481188714 1070191221 /nfs/dbraw/zinc/19/12/21/1070191221.db2.gz IRBMYWNLRYUFQQ-MRXNPFEDSA-N 1 0 414.509 -0.205 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481294741 1070202752 /nfs/dbraw/zinc/20/27/52/1070202752.db2.gz KWKGVGMORMUSPP-CABCVRRESA-N 1 0 420.601 -0.282 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481294748 1070202936 /nfs/dbraw/zinc/20/29/36/1070202936.db2.gz KWKGVGMORMUSPP-GJZGRUSLSA-N 1 0 420.601 -0.282 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481294750 1070203050 /nfs/dbraw/zinc/20/30/50/1070203050.db2.gz KWKGVGMORMUSPP-HUUCEWRRSA-N 1 0 420.601 -0.282 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481294751 1070202897 /nfs/dbraw/zinc/20/28/97/1070202897.db2.gz KWKGVGMORMUSPP-LSDHHAIUSA-N 1 0 420.601 -0.282 20 0 HBADRO CCn1ccnc(N2CCC(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)c1=O ZINC000481368022 1070210214 /nfs/dbraw/zinc/21/02/14/1070210214.db2.gz YQGJZSLVFGGVCG-INIZCTEOSA-N 1 0 419.530 -0.129 20 0 HBADRO CCn1ccnc(N2CCC(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1=O ZINC000481368027 1070210054 /nfs/dbraw/zinc/21/00/54/1070210054.db2.gz YQGJZSLVFGGVCG-MRXNPFEDSA-N 1 0 419.530 -0.129 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2oc1=O ZINC000481383320 1070211299 /nfs/dbraw/zinc/21/12/99/1070211299.db2.gz KOXVYIZHAZGVFS-UHFFFAOYSA-N 1 0 417.466 -0.014 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000481432405 1070216671 /nfs/dbraw/zinc/21/66/71/1070216671.db2.gz FHANWSMJPNNNEN-UHFFFAOYSA-N 1 0 416.569 -0.154 20 0 HBADRO C[N@H+](CCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000481442841 1070217796 /nfs/dbraw/zinc/21/77/96/1070217796.db2.gz WRZMJOXONXNRAM-UHFFFAOYSA-N 1 0 404.558 -0.080 20 0 HBADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000481482079 1070223390 /nfs/dbraw/zinc/22/33/90/1070223390.db2.gz PXVNVJAMFYZWTB-UHFFFAOYSA-N 1 0 406.530 -0.177 20 0 HBADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000481507307 1070226364 /nfs/dbraw/zinc/22/63/64/1070226364.db2.gz LJOXYDCOPRLCRB-UHFFFAOYSA-N 1 0 419.529 -0.966 20 0 HBADRO CC1(C)COCCN1CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000481527883 1070230017 /nfs/dbraw/zinc/23/00/17/1070230017.db2.gz UDWYMJZKFYMSFE-UHFFFAOYSA-N 1 0 419.548 -0.999 20 0 HBADRO Cc1cccc(N2CCC(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC000481689785 1070244947 /nfs/dbraw/zinc/24/49/47/1070244947.db2.gz RHPNEPZLTOTSDW-UHFFFAOYSA-N 1 0 409.512 -0.421 20 0 HBADRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000481726046 1070251674 /nfs/dbraw/zinc/25/16/74/1070251674.db2.gz POUVAMXSEUHDGB-KBPBESRZSA-N 1 0 407.471 -0.134 20 0 HBADRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000481726053 1070251452 /nfs/dbraw/zinc/25/14/52/1070251452.db2.gz POUVAMXSEUHDGB-KGLIPLIRSA-N 1 0 407.471 -0.134 20 0 HBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000481726055 1070251777 /nfs/dbraw/zinc/25/17/77/1070251777.db2.gz POUVAMXSEUHDGB-UONOGXRCSA-N 1 0 407.471 -0.134 20 0 HBADRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000481726057 1070251529 /nfs/dbraw/zinc/25/15/29/1070251529.db2.gz POUVAMXSEUHDGB-ZIAGYGMSSA-N 1 0 407.471 -0.134 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481737943 1070254833 /nfs/dbraw/zinc/25/48/33/1070254833.db2.gz DLXZWPHISNAUAZ-KRWDZBQOSA-N 1 0 403.531 -0.343 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481737948 1070254698 /nfs/dbraw/zinc/25/46/98/1070254698.db2.gz DLXZWPHISNAUAZ-QGZVFWFLSA-N 1 0 403.531 -0.343 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000481756362 1070255992 /nfs/dbraw/zinc/25/59/92/1070255992.db2.gz MSIOHTUYVZMUGS-KRWDZBQOSA-N 1 0 416.526 -0.034 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000481756363 1070256278 /nfs/dbraw/zinc/25/62/78/1070256278.db2.gz MSIOHTUYVZMUGS-QGZVFWFLSA-N 1 0 416.526 -0.034 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481758945 1070256820 /nfs/dbraw/zinc/25/68/20/1070256820.db2.gz VGCGPRBQBPSIPG-INIZCTEOSA-N 1 0 417.514 -0.639 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481758955 1070256725 /nfs/dbraw/zinc/25/67/25/1070256725.db2.gz VGCGPRBQBPSIPG-MRXNPFEDSA-N 1 0 417.514 -0.639 20 0 HBADRO C[N@@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@H](c2ccccc2)C1 ZINC000481765895 1070261349 /nfs/dbraw/zinc/26/13/49/1070261349.db2.gz OBZCEYITPGGNDM-KBPBESRZSA-N 1 0 406.464 -0.129 20 0 HBADRO C[N@@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H](c2ccccc2)C1 ZINC000481765896 1070261286 /nfs/dbraw/zinc/26/12/86/1070261286.db2.gz OBZCEYITPGGNDM-KGLIPLIRSA-N 1 0 406.464 -0.129 20 0 HBADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000481765897 1070261517 /nfs/dbraw/zinc/26/15/17/1070261517.db2.gz OBZCEYITPGGNDM-UONOGXRCSA-N 1 0 406.464 -0.129 20 0 HBADRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H](c2ccccc2)C1 ZINC000481765898 1070261427 /nfs/dbraw/zinc/26/14/27/1070261427.db2.gz OBZCEYITPGGNDM-ZIAGYGMSSA-N 1 0 406.464 -0.129 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000481780120 1070264023 /nfs/dbraw/zinc/26/40/23/1070264023.db2.gz VBKSEVCUSQPGPQ-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000481780121 1070263810 /nfs/dbraw/zinc/26/38/10/1070263810.db2.gz VBKSEVCUSQPGPQ-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000481780122 1070263915 /nfs/dbraw/zinc/26/39/15/1070263915.db2.gz VBKSEVCUSQPGPQ-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000481780123 1070264103 /nfs/dbraw/zinc/26/41/03/1070264103.db2.gz VBKSEVCUSQPGPQ-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000481780890 1070263769 /nfs/dbraw/zinc/26/37/69/1070263769.db2.gz NVLRFFPOLCISED-UHFFFAOYSA-N 1 0 404.515 -0.180 20 0 HBADRO C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H](c2ccccc2)C1 ZINC000481783522 1070264567 /nfs/dbraw/zinc/26/45/67/1070264567.db2.gz UJOMFBKGZUANNF-GDBMZVCRSA-N 1 0 405.480 -0.394 20 0 HBADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000481783524 1070264429 /nfs/dbraw/zinc/26/44/29/1070264429.db2.gz UJOMFBKGZUANNF-GOEBONIOSA-N 1 0 405.480 -0.394 20 0 HBADRO C[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@H](c2ccccc2)C1 ZINC000481783526 1070264679 /nfs/dbraw/zinc/26/46/79/1070264679.db2.gz UJOMFBKGZUANNF-HOCLYGCPSA-N 1 0 405.480 -0.394 20 0 HBADRO C[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H](c2ccccc2)C1 ZINC000481783528 1070264606 /nfs/dbraw/zinc/26/46/06/1070264606.db2.gz UJOMFBKGZUANNF-ZBFHGGJFSA-N 1 0 405.480 -0.394 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCSC1 ZINC000481784485 1070264533 /nfs/dbraw/zinc/26/45/33/1070264533.db2.gz TUXOSFCNFMDONG-GOSISDBHSA-N 1 0 413.544 -0.864 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCSC1 ZINC000481784486 1070264492 /nfs/dbraw/zinc/26/44/92/1070264492.db2.gz TUXOSFCNFMDONG-SFHVURJKSA-N 1 0 413.544 -0.864 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCSC1 ZINC000481789041 1070265852 /nfs/dbraw/zinc/26/58/52/1070265852.db2.gz PUYKRVGLJYOLQP-GOSISDBHSA-N 1 0 411.528 -0.574 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCSC1 ZINC000481789045 1070265727 /nfs/dbraw/zinc/26/57/27/1070265727.db2.gz PUYKRVGLJYOLQP-SFHVURJKSA-N 1 0 411.528 -0.574 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481791466 1070265559 /nfs/dbraw/zinc/26/55/59/1070265559.db2.gz CBQZYORWCZWEDH-APWZRJJASA-N 1 0 413.588 -0.002 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481791468 1070265654 /nfs/dbraw/zinc/26/56/54/1070265654.db2.gz CBQZYORWCZWEDH-LPHOPBHVSA-N 1 0 413.588 -0.002 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481791471 1070265623 /nfs/dbraw/zinc/26/56/23/1070265623.db2.gz CBQZYORWCZWEDH-QFBILLFUSA-N 1 0 413.588 -0.002 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481791474 1070266225 /nfs/dbraw/zinc/26/62/25/1070266225.db2.gz CBQZYORWCZWEDH-VQIMIIECSA-N 1 0 413.588 -0.002 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCSC1 ZINC000481795161 1070266173 /nfs/dbraw/zinc/26/61/73/1070266173.db2.gz MUPWGBHIVCVHAE-INIZCTEOSA-N 1 0 421.589 -0.672 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCSC1 ZINC000481795162 1070266105 /nfs/dbraw/zinc/26/61/05/1070266105.db2.gz MUPWGBHIVCVHAE-MRXNPFEDSA-N 1 0 421.589 -0.672 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481806562 1070266620 /nfs/dbraw/zinc/26/66/20/1070266620.db2.gz NBAMJMRUMNYUHC-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481806564 1070266891 /nfs/dbraw/zinc/26/68/91/1070266891.db2.gz NBAMJMRUMNYUHC-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481806567 1070267013 /nfs/dbraw/zinc/26/70/13/1070267013.db2.gz NBAMJMRUMNYUHC-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000481806570 1070266818 /nfs/dbraw/zinc/26/68/18/1070266818.db2.gz NBAMJMRUMNYUHC-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000481807656 1070267073 /nfs/dbraw/zinc/26/70/73/1070267073.db2.gz PCEPNHJHQNVSRT-CABCVRRESA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000481807657 1070266710 /nfs/dbraw/zinc/26/67/10/1070266710.db2.gz PCEPNHJHQNVSRT-GJZGRUSLSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000481807658 1070267560 /nfs/dbraw/zinc/26/75/60/1070267560.db2.gz PCEPNHJHQNVSRT-HUUCEWRRSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000481807659 1070267654 /nfs/dbraw/zinc/26/76/54/1070267654.db2.gz PCEPNHJHQNVSRT-LSDHHAIUSA-N 1 0 407.515 -0.828 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000481826338 1070269894 /nfs/dbraw/zinc/26/98/94/1070269894.db2.gz SBAXUPCJJIRYDW-GOSISDBHSA-N 1 0 409.531 -0.179 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000481826339 1070270064 /nfs/dbraw/zinc/27/00/64/1070270064.db2.gz SBAXUPCJJIRYDW-SFHVURJKSA-N 1 0 409.531 -0.179 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000481842632 1070275772 /nfs/dbraw/zinc/27/57/72/1070275772.db2.gz RBKTYKKQAQADCI-INIZCTEOSA-N 1 0 410.496 -0.137 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000481842639 1070275552 /nfs/dbraw/zinc/27/55/52/1070275552.db2.gz RBKTYKKQAQADCI-MRXNPFEDSA-N 1 0 410.496 -0.137 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000481857981 1070276378 /nfs/dbraw/zinc/27/63/78/1070276378.db2.gz SPVKBRPEDSIVGA-UHFFFAOYSA-N 1 0 408.546 -0.226 20 0 HBADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000481931541 1070281084 /nfs/dbraw/zinc/28/10/84/1070281084.db2.gz MWWSJKYWOOBMNO-HNNXBMFYSA-N 1 0 414.553 -0.225 20 0 HBADRO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000481931542 1070281188 /nfs/dbraw/zinc/28/11/88/1070281188.db2.gz MWWSJKYWOOBMNO-OAHLLOKOSA-N 1 0 414.553 -0.225 20 0 HBADRO Cn1c2c(ccn2CC(=O)N2CCC(OCCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000481987583 1070281739 /nfs/dbraw/zinc/28/17/39/1070281739.db2.gz CLLCARKUPJICSK-UHFFFAOYSA-N 1 0 405.499 -0.002 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCC(OCCC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000481991844 1070281678 /nfs/dbraw/zinc/28/16/78/1070281678.db2.gz JEZGTOKGJDNPEP-UHFFFAOYSA-N 1 0 420.514 -0.217 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000481993785 1070282505 /nfs/dbraw/zinc/28/25/05/1070282505.db2.gz PMGGHIFVWIIEPL-UHFFFAOYSA-N 1 0 413.544 -0.209 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC(OCCC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000481997940 1070282229 /nfs/dbraw/zinc/28/22/29/1070282229.db2.gz JOVRHOCIIQNNJU-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO C[N@H+](CCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)Cc1ccc(F)cc1 ZINC000481999181 1070282419 /nfs/dbraw/zinc/28/24/19/1070282419.db2.gz NVZOGVVVLRDMSX-UHFFFAOYSA-N 1 0 411.459 -0.221 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCN2CCC([NH+](C)C)CC2)cn1C ZINC000481999818 1070282264 /nfs/dbraw/zinc/28/22/64/1070282264.db2.gz QWBUBQWTNIFNHB-UHFFFAOYSA-N 1 0 400.549 -0.461 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000482003131 1070282400 /nfs/dbraw/zinc/28/24/00/1070282400.db2.gz CZTLKDIIJNXTML-IBGZPJMESA-N 1 0 409.575 -0.158 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000482003132 1070282283 /nfs/dbraw/zinc/28/22/83/1070282283.db2.gz CZTLKDIIJNXTML-LJQANCHMSA-N 1 0 409.575 -0.158 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCC(OCCC[NH+](C)C)CC2)cn1C ZINC000482007130 1070282142 /nfs/dbraw/zinc/28/21/42/1070282142.db2.gz OEYSTMFXMNRYAH-UHFFFAOYSA-N 1 0 401.533 -0.034 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(OCCC[NH+](C)C)CC1)c(=O)n2C ZINC000482009609 1070282369 /nfs/dbraw/zinc/28/23/69/1070282369.db2.gz WAWCOBSQUCVASJ-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009977 1070282187 /nfs/dbraw/zinc/28/21/87/1070282187.db2.gz AIOVRAQKDOWGRV-AWEZNQCLSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000482009983 1070282196 /nfs/dbraw/zinc/28/21/96/1070282196.db2.gz AIOVRAQKDOWGRV-CQSZACIVSA-N 1 0 414.576 -0.154 20 0 HBADRO Cn1c2ncn(CC(=O)NCC[N@H+](C)Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000482010900 1070282322 /nfs/dbraw/zinc/28/23/22/1070282322.db2.gz YKVUJEPHTUAYPI-UHFFFAOYSA-N 1 0 402.430 -0.179 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000482013301 1070282161 /nfs/dbraw/zinc/28/21/61/1070282161.db2.gz HCHNNVCFTSPFEQ-UHFFFAOYSA-N 1 0 402.293 -0.146 20 0 HBADRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000482014953 1070282892 /nfs/dbraw/zinc/28/28/92/1070282892.db2.gz KMJASKYSFITZEH-UHFFFAOYSA-N 1 0 402.499 -0.304 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000482026795 1070282799 /nfs/dbraw/zinc/28/27/99/1070282799.db2.gz BCOHTQBLYFRSSX-UHFFFAOYSA-N 1 0 419.511 -0.146 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c(=O)n2C ZINC000482028874 1070282944 /nfs/dbraw/zinc/28/29/44/1070282944.db2.gz WXSASBCOFPSUDW-UHFFFAOYSA-N 1 0 402.430 -0.179 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000482138086 1070286507 /nfs/dbraw/zinc/28/65/07/1070286507.db2.gz BFJFPKJTONWWGY-ILXRZTDVSA-N 1 0 409.531 -0.036 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000482138087 1070286369 /nfs/dbraw/zinc/28/63/69/1070286369.db2.gz BFJFPKJTONWWGY-KFWWJZLASA-N 1 0 409.531 -0.036 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000482138088 1070286525 /nfs/dbraw/zinc/28/65/25/1070286525.db2.gz BFJFPKJTONWWGY-KKUMJFAQSA-N 1 0 409.531 -0.036 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000482138089 1070287232 /nfs/dbraw/zinc/28/72/32/1070287232.db2.gz BFJFPKJTONWWGY-ZNMIVQPWSA-N 1 0 409.531 -0.036 20 0 HBADRO C[C@@H](CNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000482163969 1070288031 /nfs/dbraw/zinc/28/80/31/1070288031.db2.gz NEILUINODFHXNW-KRWDZBQOSA-N 1 0 403.531 -0.343 20 0 HBADRO C[C@H](CNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000482163970 1070288079 /nfs/dbraw/zinc/28/80/79/1070288079.db2.gz NEILUINODFHXNW-QGZVFWFLSA-N 1 0 403.531 -0.343 20 0 HBADRO C[C@H](CNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000482185397 1070290145 /nfs/dbraw/zinc/29/01/45/1070290145.db2.gz ZQMKAPMEAFVNQK-GOSISDBHSA-N 1 0 417.558 -0.095 20 0 HBADRO C[C@@H](CNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000482185399 1070290002 /nfs/dbraw/zinc/29/00/02/1070290002.db2.gz ZQMKAPMEAFVNQK-SFHVURJKSA-N 1 0 417.558 -0.095 20 0 HBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NCCC[NH+]1CCC(O)CC1 ZINC000482210982 1070290769 /nfs/dbraw/zinc/29/07/69/1070290769.db2.gz MGNWRFOUFBMWML-UHFFFAOYSA-N 1 0 404.515 -0.132 20 0 HBADRO CNS(=O)(=O)c1csc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000482305788 1070294360 /nfs/dbraw/zinc/29/43/60/1070294360.db2.gz IIFXRTCHRQQINN-UHFFFAOYSA-N 1 0 414.513 -0.217 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000482463702 1070297968 /nfs/dbraw/zinc/29/79/68/1070297968.db2.gz NYRCBSWDTQTHIA-UHFFFAOYSA-N 1 0 402.521 -0.677 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCNC(=O)C3CC3)ccc2oc1=O ZINC000482506725 1070298758 /nfs/dbraw/zinc/29/87/58/1070298758.db2.gz STENMPFCAPYOIQ-UHFFFAOYSA-N 1 0 403.439 -0.263 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000482580642 1070300533 /nfs/dbraw/zinc/30/05/33/1070300533.db2.gz BNKLHWKXKZFLRW-HNNXBMFYSA-N 1 0 414.532 -0.535 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000482580643 1070300402 /nfs/dbraw/zinc/30/04/02/1070300402.db2.gz BNKLHWKXKZFLRW-OAHLLOKOSA-N 1 0 414.532 -0.535 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000482582744 1070301039 /nfs/dbraw/zinc/30/10/39/1070301039.db2.gz PWFOVPGJONJAAA-UHFFFAOYSA-N 1 0 413.500 -0.319 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482590598 1070301586 /nfs/dbraw/zinc/30/15/86/1070301586.db2.gz ILJWSFDPQPYXAH-AWEZNQCLSA-N 1 0 412.516 -0.530 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482590599 1070301395 /nfs/dbraw/zinc/30/13/95/1070301395.db2.gz ILJWSFDPQPYXAH-CQSZACIVSA-N 1 0 412.516 -0.530 20 0 HBADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482602446 1070301819 /nfs/dbraw/zinc/30/18/19/1070301819.db2.gz ASPFJEMSAKBZSK-UHFFFAOYSA-N 1 0 401.489 -0.198 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000482604856 1070302143 /nfs/dbraw/zinc/30/21/43/1070302143.db2.gz FDDDKPNYIJYJMU-UHFFFAOYSA-N 1 0 416.548 -0.287 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000482606400 1070302401 /nfs/dbraw/zinc/30/24/01/1070302401.db2.gz JAZQVWSZLXHJSV-UHFFFAOYSA-N 1 0 401.489 -0.462 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000482620861 1070302826 /nfs/dbraw/zinc/30/28/26/1070302826.db2.gz FJEGJTXWSCJTGA-UHFFFAOYSA-N 1 0 416.548 -0.287 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCCCC[NH+]3CCCC3)cnc2n(C)c1=O ZINC000482661686 1070303730 /nfs/dbraw/zinc/30/37/30/1070303730.db2.gz JNUNBVWQZRJQMM-UHFFFAOYSA-N 1 0 416.482 -0.047 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000482693953 1070305139 /nfs/dbraw/zinc/30/51/39/1070305139.db2.gz NQFAJJZMICLCGZ-AWEZNQCLSA-N 1 0 419.482 -0.069 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000482702905 1070305655 /nfs/dbraw/zinc/30/56/55/1070305655.db2.gz DJMSXTXVMHSLGD-CYBMUJFWSA-N 1 0 400.501 -0.534 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000482702910 1070305436 /nfs/dbraw/zinc/30/54/36/1070305436.db2.gz DJMSXTXVMHSLGD-ZDUSSCGKSA-N 1 0 400.501 -0.534 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000482706272 1070306355 /nfs/dbraw/zinc/30/63/55/1070306355.db2.gz NKXJPXFLYKUVCK-DZGCQCFKSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000482706278 1070306288 /nfs/dbraw/zinc/30/62/88/1070306288.db2.gz NKXJPXFLYKUVCK-HIFRSBDPSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000482706279 1070306052 /nfs/dbraw/zinc/30/60/52/1070306052.db2.gz NKXJPXFLYKUVCK-UKRRQHHQSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000482706281 1070306188 /nfs/dbraw/zinc/30/61/88/1070306188.db2.gz NKXJPXFLYKUVCK-ZFWWWQNUSA-N 1 0 412.512 -0.391 20 0 HBADRO Cn1cc(CNC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1 ZINC000482777861 1070307543 /nfs/dbraw/zinc/30/75/43/1070307543.db2.gz FIACEWSOJQEPGL-UHFFFAOYSA-N 1 0 404.515 -0.123 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(CCOC)CC[NH+](C)C)cc1 ZINC000482816325 1070313014 /nfs/dbraw/zinc/31/30/14/1070313014.db2.gz HXRPXEIEPWQDCV-AWEZNQCLSA-N 1 0 414.528 -0.192 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(CCOC)CC[NH+](C)C)cc1 ZINC000482816334 1070313352 /nfs/dbraw/zinc/31/33/52/1070313352.db2.gz HXRPXEIEPWQDCV-CQSZACIVSA-N 1 0 414.528 -0.192 20 0 HBADRO Cn1cc(CNC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000482841291 1070313546 /nfs/dbraw/zinc/31/35/46/1070313546.db2.gz NEHSGEAEQJJSRH-UHFFFAOYSA-N 1 0 406.531 -0.021 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCC[N@H+](C)CCOC)cc1 ZINC000482871116 1070315084 /nfs/dbraw/zinc/31/50/84/1070315084.db2.gz RYFALSLNCXNSFV-CYBMUJFWSA-N 1 0 400.501 -0.534 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCC[N@H+](C)CCOC)cc1 ZINC000482871119 1070314943 /nfs/dbraw/zinc/31/49/43/1070314943.db2.gz RYFALSLNCXNSFV-ZDUSSCGKSA-N 1 0 400.501 -0.534 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)ccn2)CC1 ZINC000482958644 1070319725 /nfs/dbraw/zinc/31/97/25/1070319725.db2.gz AJDSPLQWGLXKNV-ZWKOTPCHSA-N 1 0 417.510 -0.144 20 0 HBADRO COc1ccc(CCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OC)c1OC ZINC000482998003 1070320860 /nfs/dbraw/zinc/32/08/60/1070320860.db2.gz UYJWIGLUHZQGNC-HNNXBMFYSA-N 1 0 408.499 -0.267 20 0 HBADRO COc1ccc(CCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OC)c1OC ZINC000482998013 1070320995 /nfs/dbraw/zinc/32/09/95/1070320995.db2.gz UYJWIGLUHZQGNC-OAHLLOKOSA-N 1 0 408.499 -0.267 20 0 HBADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000483026671 1070321237 /nfs/dbraw/zinc/32/12/37/1070321237.db2.gz MJDLBNDUUJHTNI-PBHICJAKSA-N 1 0 408.524 -0.054 20 0 HBADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000483026674 1070321561 /nfs/dbraw/zinc/32/15/61/1070321561.db2.gz MJDLBNDUUJHTNI-RHSMWYFYSA-N 1 0 408.524 -0.054 20 0 HBADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000483026676 1070321304 /nfs/dbraw/zinc/32/13/04/1070321304.db2.gz MJDLBNDUUJHTNI-WMLDXEAASA-N 1 0 408.524 -0.054 20 0 HBADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000483026679 1070321641 /nfs/dbraw/zinc/32/16/41/1070321641.db2.gz MJDLBNDUUJHTNI-YOEHRIQHSA-N 1 0 408.524 -0.054 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000483035789 1070321799 /nfs/dbraw/zinc/32/17/99/1070321799.db2.gz LMXWNERBTIMIRK-UHFFFAOYSA-N 1 0 424.546 -0.460 20 0 HBADRO CN1CCC(CNC(=O)C(=O)NCc2cc(C(N)=O)no2)([NH+]2CCCCC2)CC1 ZINC000483044082 1070321943 /nfs/dbraw/zinc/32/19/43/1070321943.db2.gz GNZLZAQRIINXEW-UHFFFAOYSA-N 1 0 406.487 -0.544 20 0 HBADRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000483061458 1070322978 /nfs/dbraw/zinc/32/29/78/1070322978.db2.gz CQGUQBGRUOQFAK-FUHWJXTLSA-N 1 0 418.494 -0.013 20 0 HBADRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C(N)=O ZINC000483061459 1070323190 /nfs/dbraw/zinc/32/31/90/1070323190.db2.gz CQGUQBGRUOQFAK-SJLPKXTDSA-N 1 0 418.494 -0.013 20 0 HBADRO O=C1CNC(=O)N1CCN1CC[N@H+](CCN2C(=O)CNC2=O)C2(CCCCC2)C1 ZINC000483086272 1070323051 /nfs/dbraw/zinc/32/30/51/1070323051.db2.gz IDDKQOQQMDCSOG-UHFFFAOYSA-N 1 0 406.487 -0.590 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)on1 ZINC000483164198 1070324798 /nfs/dbraw/zinc/32/47/98/1070324798.db2.gz DMMVWELMWILIPC-UHFFFAOYSA-N 1 0 407.471 -0.259 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000483165476 1069554147 /nfs/dbraw/zinc/55/41/47/1069554147.db2.gz CBTVKSYHFOFLHN-KRWDZBQOSA-N 1 0 419.530 -0.014 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000483165477 1070324944 /nfs/dbraw/zinc/32/49/44/1070324944.db2.gz CBTVKSYHFOFLHN-QGZVFWFLSA-N 1 0 419.530 -0.014 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483167772 1070324649 /nfs/dbraw/zinc/32/46/49/1070324649.db2.gz PZEOKBSRDXZCQP-FQEVSTJZSA-N 1 0 415.450 -0.515 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483167773 1070325044 /nfs/dbraw/zinc/32/50/44/1070325044.db2.gz PZEOKBSRDXZCQP-HXUWFJFHSA-N 1 0 415.450 -0.515 20 0 HBADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)C[C@H](C)O1 ZINC000483190006 1070326077 /nfs/dbraw/zinc/32/60/77/1070326077.db2.gz JEGVHNSMPPQDQH-BETUJISGSA-N 1 0 407.471 -0.263 20 0 HBADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)C[C@@H](C)O1 ZINC000483190007 1070326200 /nfs/dbraw/zinc/32/62/00/1070326200.db2.gz JEGVHNSMPPQDQH-CHWSQXEVSA-N 1 0 407.471 -0.263 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)C[C@H](C)O1 ZINC000483190008 1070325892 /nfs/dbraw/zinc/32/58/92/1070325892.db2.gz JEGVHNSMPPQDQH-STQMWFEESA-N 1 0 407.471 -0.263 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000483190013 1070326345 /nfs/dbraw/zinc/32/63/45/1070326345.db2.gz JESQDVRJGCPOHQ-KBPBESRZSA-N 1 0 406.487 -0.593 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000483190014 1070326274 /nfs/dbraw/zinc/32/62/74/1070326274.db2.gz JESQDVRJGCPOHQ-OKILXGFUSA-N 1 0 406.487 -0.593 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000483190015 1070326039 /nfs/dbraw/zinc/32/60/39/1070326039.db2.gz JESQDVRJGCPOHQ-ZIAGYGMSSA-N 1 0 406.487 -0.593 20 0 HBADRO COc1c[nH+]ccc1N1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000483191671 1070326310 /nfs/dbraw/zinc/32/63/10/1070326310.db2.gz FOGYXVVQEYVEPH-GFCCVEGCSA-N 1 0 402.455 -0.537 20 0 HBADRO COc1c[nH+]ccc1N1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000483191673 1070325927 /nfs/dbraw/zinc/32/59/27/1070325927.db2.gz FOGYXVVQEYVEPH-LBPRGKRZSA-N 1 0 402.455 -0.537 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)CC1 ZINC000483197419 1070325641 /nfs/dbraw/zinc/32/56/41/1070325641.db2.gz OBCJHHAFIDWAJB-UHFFFAOYSA-N 1 0 406.487 -0.593 20 0 HBADRO COc1c[nH+]ccc1N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000483203377 1070325579 /nfs/dbraw/zinc/32/55/79/1070325579.db2.gz QZPWGJRBKQITNC-CYBMUJFWSA-N 1 0 411.484 -0.775 20 0 HBADRO COc1c[nH+]ccc1N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000483203385 1070325353 /nfs/dbraw/zinc/32/53/53/1070325353.db2.gz QZPWGJRBKQITNC-ZDUSSCGKSA-N 1 0 411.484 -0.775 20 0 HBADRO COc1c[nH+]ccc1N1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000483216046 1070327532 /nfs/dbraw/zinc/32/75/32/1070327532.db2.gz SSELPGRFUOJTNP-UHFFFAOYSA-N 1 0 404.515 -0.555 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)on1 ZINC000483221117 1070327315 /nfs/dbraw/zinc/32/73/15/1070327315.db2.gz NKGJSUDVYIAUKK-INIZCTEOSA-N 1 0 415.450 -0.203 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)on1 ZINC000483221118 1070327609 /nfs/dbraw/zinc/32/76/09/1070327609.db2.gz NKGJSUDVYIAUKK-MRXNPFEDSA-N 1 0 415.450 -0.203 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000483221740 1070327138 /nfs/dbraw/zinc/32/71/38/1070327138.db2.gz AOCPOFHEBGYNDP-GOSISDBHSA-N 1 0 419.530 -0.014 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000483221761 1070326822 /nfs/dbraw/zinc/32/68/22/1070326822.db2.gz AOCPOFHEBGYNDP-SFHVURJKSA-N 1 0 419.530 -0.014 20 0 HBADRO CCOC(=O)C1(COC)CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000483224683 1070326594 /nfs/dbraw/zinc/32/65/94/1070326594.db2.gz GCEVJLLYTZNGBS-UHFFFAOYSA-N 1 0 407.471 -0.275 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000483225311 1070326538 /nfs/dbraw/zinc/32/65/38/1070326538.db2.gz GTRHVILGTBYIMZ-INIZCTEOSA-N 1 0 403.487 -0.068 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000483225312 1070326681 /nfs/dbraw/zinc/32/66/81/1070326681.db2.gz GTRHVILGTBYIMZ-MRXNPFEDSA-N 1 0 403.487 -0.068 20 0 HBADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2cc(C(N)=O)no2)c1 ZINC000483226762 1070326746 /nfs/dbraw/zinc/32/67/46/1070326746.db2.gz YEONKWYMFLBXQQ-UHFFFAOYSA-N 1 0 403.439 -0.011 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)on1 ZINC000483229158 1070328129 /nfs/dbraw/zinc/32/81/29/1070328129.db2.gz XWSUAKVFLADXOA-UHFFFAOYSA-N 1 0 407.471 -0.211 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCN(c3cc[nH+]cc3OC)CC2)c(=O)[nH]c1=O ZINC000483230123 1070328058 /nfs/dbraw/zinc/32/80/58/1070328058.db2.gz OWWVODHOPNIJNB-UHFFFAOYSA-N 1 0 418.454 -0.414 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000483233481 1070328303 /nfs/dbraw/zinc/32/83/03/1070328303.db2.gz IIDPVVZHOULUNE-INIZCTEOSA-N 1 0 421.502 -0.584 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000483233482 1070328193 /nfs/dbraw/zinc/32/81/93/1070328193.db2.gz IIDPVVZHOULUNE-MRXNPFEDSA-N 1 0 421.502 -0.584 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)cc1 ZINC000483261104 1070328807 /nfs/dbraw/zinc/32/88/07/1070328807.db2.gz LWDKTONHVBWARU-IBGZPJMESA-N 1 0 424.523 -0.275 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)CC2)cc1 ZINC000483261105 1070329151 /nfs/dbraw/zinc/32/91/51/1070329151.db2.gz LWDKTONHVBWARU-LJQANCHMSA-N 1 0 424.523 -0.275 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000483261139 1070328962 /nfs/dbraw/zinc/32/89/62/1070328962.db2.gz FDFSLUXKMOMDGL-DYESRHJHSA-N 1 0 416.478 -0.306 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000483261140 1070329089 /nfs/dbraw/zinc/32/90/89/1070329089.db2.gz FDFSLUXKMOMDGL-LAUBAEHRSA-N 1 0 416.478 -0.306 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000483261141 1070328759 /nfs/dbraw/zinc/32/87/59/1070328759.db2.gz FDFSLUXKMOMDGL-UTKZUKDTSA-N 1 0 416.478 -0.306 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000483261142 1070328521 /nfs/dbraw/zinc/32/85/21/1070328521.db2.gz FDFSLUXKMOMDGL-UWJYYQICSA-N 1 0 416.478 -0.306 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000483276287 1070328605 /nfs/dbraw/zinc/32/86/05/1070328605.db2.gz FCRSWKODHWRTHX-IBGZPJMESA-N 1 0 424.523 -0.479 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000483276292 1070329030 /nfs/dbraw/zinc/32/90/30/1070329030.db2.gz FCRSWKODHWRTHX-LJQANCHMSA-N 1 0 424.523 -0.479 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483277377 1070328683 /nfs/dbraw/zinc/32/86/83/1070328683.db2.gz KDXDAAGWDBKEHR-IBGZPJMESA-N 1 0 424.502 -0.492 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483277378 1070328874 /nfs/dbraw/zinc/32/88/74/1070328874.db2.gz KDXDAAGWDBKEHR-LJQANCHMSA-N 1 0 424.502 -0.492 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000483277858 1070329346 /nfs/dbraw/zinc/32/93/46/1070329346.db2.gz GLCGANDRFRIHQE-GOSISDBHSA-N 1 0 412.487 -0.144 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000483277865 1070329860 /nfs/dbraw/zinc/32/98/60/1070329860.db2.gz GLCGANDRFRIHQE-SFHVURJKSA-N 1 0 412.487 -0.144 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000483280035 1070329494 /nfs/dbraw/zinc/32/94/94/1070329494.db2.gz IYSSFFNZYXJEHN-GOSISDBHSA-N 1 0 412.487 -0.144 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000483280036 1070329621 /nfs/dbraw/zinc/32/96/21/1070329621.db2.gz IYSSFFNZYXJEHN-SFHVURJKSA-N 1 0 412.487 -0.144 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000483281966 1070329799 /nfs/dbraw/zinc/32/97/99/1070329799.db2.gz OPIYDZQTYKHYRC-KRWDZBQOSA-N 1 0 413.500 -0.678 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000483281968 1070329978 /nfs/dbraw/zinc/32/99/78/1070329978.db2.gz OPIYDZQTYKHYRC-QGZVFWFLSA-N 1 0 413.500 -0.678 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000483283456 1070329901 /nfs/dbraw/zinc/32/99/01/1070329901.db2.gz ICLBLFPUUUYTBA-IBGZPJMESA-N 1 0 408.524 -0.142 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000483283457 1070329671 /nfs/dbraw/zinc/32/96/71/1070329671.db2.gz ICLBLFPUUUYTBA-LJQANCHMSA-N 1 0 408.524 -0.142 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000483283754 1070329717 /nfs/dbraw/zinc/32/97/17/1070329717.db2.gz SSNZIASKVAHDJR-IBGZPJMESA-N 1 0 424.502 -0.636 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000483283828 1070329412 /nfs/dbraw/zinc/32/94/12/1070329412.db2.gz SSNZIASKVAHDJR-LJQANCHMSA-N 1 0 424.502 -0.636 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000483286919 1070330633 /nfs/dbraw/zinc/33/06/33/1070330633.db2.gz QHLOAWWRHLKHJY-GOSISDBHSA-N 1 0 410.496 -0.157 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000483286923 1070330300 /nfs/dbraw/zinc/33/03/00/1070330300.db2.gz QHLOAWWRHLKHJY-SFHVURJKSA-N 1 0 410.496 -0.157 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000483287325 1070330515 /nfs/dbraw/zinc/33/05/15/1070330515.db2.gz VCSMUTFNWXQYQG-GOSISDBHSA-N 1 0 410.496 -0.157 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000483287326 1070330698 /nfs/dbraw/zinc/33/06/98/1070330698.db2.gz VCSMUTFNWXQYQG-SFHVURJKSA-N 1 0 410.496 -0.157 20 0 HBADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000483287677 1070330248 /nfs/dbraw/zinc/33/02/48/1070330248.db2.gz CQXNPLCYASTOEO-IBGZPJMESA-N 1 0 413.522 -0.282 20 0 HBADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000483287714 1070330266 /nfs/dbraw/zinc/33/02/66/1070330266.db2.gz CQXNPLCYASTOEO-LJQANCHMSA-N 1 0 413.522 -0.282 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000483288686 1070330341 /nfs/dbraw/zinc/33/03/41/1070330341.db2.gz IIYWRTOZHPHJSV-IBGZPJMESA-N 1 0 424.523 -0.479 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000483288687 1070330469 /nfs/dbraw/zinc/33/04/69/1070330469.db2.gz IIYWRTOZHPHJSV-LJQANCHMSA-N 1 0 424.523 -0.479 20 0 HBADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000483289200 1070331266 /nfs/dbraw/zinc/33/12/66/1070331266.db2.gz MACQJPYVEVWPKF-GOSISDBHSA-N 1 0 412.487 -0.144 20 0 HBADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000483289201 1070331013 /nfs/dbraw/zinc/33/10/13/1070331013.db2.gz MACQJPYVEVWPKF-SFHVURJKSA-N 1 0 412.487 -0.144 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000483328984 1070333976 /nfs/dbraw/zinc/33/39/76/1070333976.db2.gz VWMOCVUBWFNMNI-CABCVRRESA-N 1 0 408.503 -0.151 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000483328993 1070333903 /nfs/dbraw/zinc/33/39/03/1070333903.db2.gz VWMOCVUBWFNMNI-GJZGRUSLSA-N 1 0 408.503 -0.151 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000483328994 1070333937 /nfs/dbraw/zinc/33/39/37/1070333937.db2.gz VWMOCVUBWFNMNI-HUUCEWRRSA-N 1 0 408.503 -0.151 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000483328996 1070333823 /nfs/dbraw/zinc/33/38/23/1070333823.db2.gz VWMOCVUBWFNMNI-LSDHHAIUSA-N 1 0 408.503 -0.151 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000483375543 1070334427 /nfs/dbraw/zinc/33/44/27/1070334427.db2.gz JETXWNZUTGPTDZ-CVEARBPZSA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000483375551 1070334328 /nfs/dbraw/zinc/33/43/28/1070334328.db2.gz JETXWNZUTGPTDZ-HOTGVXAUSA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000483375563 1070334285 /nfs/dbraw/zinc/33/42/85/1070334285.db2.gz JETXWNZUTGPTDZ-HZPDHXFCSA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000483375568 1070335084 /nfs/dbraw/zinc/33/50/84/1070335084.db2.gz JETXWNZUTGPTDZ-JKSUJKDBSA-N 1 0 402.499 -0.182 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+]1CCCC1 ZINC000483394834 1070335486 /nfs/dbraw/zinc/33/54/86/1070335486.db2.gz JPGTTYBKPDMTET-CHWSQXEVSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+]1CCCC1 ZINC000483394835 1070335395 /nfs/dbraw/zinc/33/53/95/1070335395.db2.gz JPGTTYBKPDMTET-OLZOCXBDSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH+]1CCCC1 ZINC000483394836 1070335452 /nfs/dbraw/zinc/33/54/52/1070335452.db2.gz JPGTTYBKPDMTET-QWHCGFSZSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH+]1CCCC1 ZINC000483394837 1070335536 /nfs/dbraw/zinc/33/55/36/1070335536.db2.gz JPGTTYBKPDMTET-STQMWFEESA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH+]1CCCC1 ZINC000483397878 1070334845 /nfs/dbraw/zinc/33/48/45/1070334845.db2.gz SSEKTURCKCLBAZ-KBPBESRZSA-N 1 0 420.539 -0.138 20 0 HBADRO CS[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+]1CCCC1 ZINC000483397879 1070334962 /nfs/dbraw/zinc/33/49/62/1070334962.db2.gz SSEKTURCKCLBAZ-KGLIPLIRSA-N 1 0 420.539 -0.138 20 0 HBADRO CS[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH+]1CCCC1 ZINC000483397880 1070335072 /nfs/dbraw/zinc/33/50/72/1070335072.db2.gz SSEKTURCKCLBAZ-UONOGXRCSA-N 1 0 420.539 -0.138 20 0 HBADRO CS[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+]1CCCC1 ZINC000483397881 1070334925 /nfs/dbraw/zinc/33/49/25/1070334925.db2.gz SSEKTURCKCLBAZ-ZIAGYGMSSA-N 1 0 420.539 -0.138 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000483405647 1070334950 /nfs/dbraw/zinc/33/49/50/1070334950.db2.gz VFCLVFSDSOEDMY-CVEARBPZSA-N 1 0 423.539 -0.097 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000483405648 1070334982 /nfs/dbraw/zinc/33/49/82/1070334982.db2.gz VFCLVFSDSOEDMY-HOTGVXAUSA-N 1 0 423.539 -0.097 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000483405649 1070334826 /nfs/dbraw/zinc/33/48/26/1070334826.db2.gz VFCLVFSDSOEDMY-HZPDHXFCSA-N 1 0 423.539 -0.097 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000483405650 1070334784 /nfs/dbraw/zinc/33/47/84/1070334784.db2.gz VFCLVFSDSOEDMY-JKSUJKDBSA-N 1 0 423.539 -0.097 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1[NH+]1CCCC1 ZINC000483407128 1070334911 /nfs/dbraw/zinc/33/49/11/1070334911.db2.gz RITDHJXSXLXDMX-CHWSQXEVSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1[NH+]1CCCC1 ZINC000483407132 1070334809 /nfs/dbraw/zinc/33/48/09/1070334809.db2.gz RITDHJXSXLXDMX-OLZOCXBDSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000483407134 1070335408 /nfs/dbraw/zinc/33/54/08/1070335408.db2.gz RITDHJXSXLXDMX-QWHCGFSZSA-N 1 0 406.512 -0.528 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000483407137 1070335346 /nfs/dbraw/zinc/33/53/46/1070335346.db2.gz RITDHJXSXLXDMX-STQMWFEESA-N 1 0 406.512 -0.528 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000483428509 1070336185 /nfs/dbraw/zinc/33/61/85/1070336185.db2.gz GGHUVYRXRCLXRR-MSOLQXFVSA-N 1 0 407.559 -0.012 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000483428511 1070335967 /nfs/dbraw/zinc/33/59/67/1070335967.db2.gz GGHUVYRXRCLXRR-QZTJIDSGSA-N 1 0 407.559 -0.012 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000483428512 1070335796 /nfs/dbraw/zinc/33/57/96/1070335796.db2.gz GGHUVYRXRCLXRR-ROUUACIJSA-N 1 0 407.559 -0.012 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000483428514 1070336096 /nfs/dbraw/zinc/33/60/96/1070336096.db2.gz GGHUVYRXRCLXRR-ZWKOTPCHSA-N 1 0 407.559 -0.012 20 0 HBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000483473304 1070336714 /nfs/dbraw/zinc/33/67/14/1070336714.db2.gz LFTAVMDYMGRNHG-KRWDZBQOSA-N 1 0 410.515 -0.736 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483479474 1070337552 /nfs/dbraw/zinc/33/75/52/1070337552.db2.gz MXUGVKXHOWHUIC-HNNXBMFYSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483479487 1070337397 /nfs/dbraw/zinc/33/73/97/1070337397.db2.gz MXUGVKXHOWHUIC-OAHLLOKOSA-N 1 0 406.487 -0.226 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479929 1070337604 /nfs/dbraw/zinc/33/76/04/1070337604.db2.gz WWIWYRCVXJIGLE-GOSISDBHSA-N 1 0 415.542 -0.246 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479932 1070336953 /nfs/dbraw/zinc/33/69/53/1070336953.db2.gz WWIWYRCVXJIGLE-SFHVURJKSA-N 1 0 415.542 -0.246 20 0 HBADRO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483479983 1070337116 /nfs/dbraw/zinc/33/71/16/1070337116.db2.gz GBNUHEPFAACHGK-BZUAXINKSA-N 1 0 400.545 -0.741 20 0 HBADRO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483479987 1070337024 /nfs/dbraw/zinc/33/70/24/1070337024.db2.gz GBNUHEPFAACHGK-OAGGEKHMSA-N 1 0 400.545 -0.741 20 0 HBADRO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483479989 1070337181 /nfs/dbraw/zinc/33/71/81/1070337181.db2.gz GBNUHEPFAACHGK-OWCLPIDISA-N 1 0 400.545 -0.741 20 0 HBADRO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483479991 1070337711 /nfs/dbraw/zinc/33/77/11/1070337711.db2.gz GBNUHEPFAACHGK-PMPSAXMXSA-N 1 0 400.545 -0.741 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483481750 1070337498 /nfs/dbraw/zinc/33/74/98/1070337498.db2.gz IUNFQRUZMLCRAS-CVEARBPZSA-N 1 0 400.545 -0.740 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483481751 1070337301 /nfs/dbraw/zinc/33/73/01/1070337301.db2.gz IUNFQRUZMLCRAS-HOTGVXAUSA-N 1 0 400.545 -0.740 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483481752 1070337065 /nfs/dbraw/zinc/33/70/65/1070337065.db2.gz IUNFQRUZMLCRAS-HZPDHXFCSA-N 1 0 400.545 -0.740 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483481753 1070337355 /nfs/dbraw/zinc/33/73/55/1070337355.db2.gz IUNFQRUZMLCRAS-JKSUJKDBSA-N 1 0 400.545 -0.740 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483259 1069398221 /nfs/dbraw/zinc/39/82/21/1069398221.db2.gz FHQGIGDENQTYFP-MOPGFXCFSA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483260 1069398713 /nfs/dbraw/zinc/39/87/13/1069398713.db2.gz FHQGIGDENQTYFP-OALUTQOASA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483261 1069399000 /nfs/dbraw/zinc/39/90/00/1069399000.db2.gz FHQGIGDENQTYFP-RBUKOAKNSA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483262 1069398872 /nfs/dbraw/zinc/39/88/72/1069398872.db2.gz FHQGIGDENQTYFP-RTBURBONSA-N 1 0 407.559 -0.595 20 0 HBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000483486551 1070338072 /nfs/dbraw/zinc/33/80/72/1070338072.db2.gz PDRFCWYQJKKLSM-IBGZPJMESA-N 1 0 413.522 -0.328 20 0 HBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000483486555 1070338280 /nfs/dbraw/zinc/33/82/80/1070338280.db2.gz PDRFCWYQJKKLSM-LJQANCHMSA-N 1 0 413.522 -0.328 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000483486660 1070338128 /nfs/dbraw/zinc/33/81/28/1070338128.db2.gz FPQHDBPPXIUCKQ-KRWDZBQOSA-N 1 0 417.510 -0.198 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000483486661 1070337934 /nfs/dbraw/zinc/33/79/34/1070337934.db2.gz FPQHDBPPXIUCKQ-QGZVFWFLSA-N 1 0 417.510 -0.198 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CC[NH+](C3CCCCC3)CC2)CC1)N1CCOCC1 ZINC000483486940 1069398920 /nfs/dbraw/zinc/39/89/20/1069398920.db2.gz FCKQLABLYMWGHB-UHFFFAOYSA-N 1 0 421.586 -0.060 20 0 HBADRO CCC1(CO)CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000483499594 1070338602 /nfs/dbraw/zinc/33/86/02/1070338602.db2.gz NGYQKWXUVWASQM-UHFFFAOYSA-N 1 0 408.503 -0.490 20 0 HBADRO CNC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000483501190 1070338619 /nfs/dbraw/zinc/33/86/19/1070338619.db2.gz FJXCSUJAXVDCHT-HKUYNNGSSA-N 1 0 401.511 -0.172 20 0 HBADRO CNC(=O)[C@H](NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000483501302 1070339149 /nfs/dbraw/zinc/33/91/49/1070339149.db2.gz FJXCSUJAXVDCHT-IEBWSBKVSA-N 1 0 401.511 -0.172 20 0 HBADRO CNC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000483501303 1070338682 /nfs/dbraw/zinc/33/86/82/1070338682.db2.gz FJXCSUJAXVDCHT-MJGOQNOKSA-N 1 0 401.511 -0.172 20 0 HBADRO CNC(=O)[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000483501304 1070338724 /nfs/dbraw/zinc/33/87/24/1070338724.db2.gz FJXCSUJAXVDCHT-PKOBYXMFSA-N 1 0 401.511 -0.172 20 0 HBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000483502772 1070338528 /nfs/dbraw/zinc/33/85/28/1070338528.db2.gz LFTAVMDYMGRNHG-QGZVFWFLSA-N 1 0 410.515 -0.736 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000483511811 1070339564 /nfs/dbraw/zinc/33/95/64/1070339564.db2.gz SWLLVPKINIDZCT-CRAIPNDOSA-N 1 0 400.479 -0.118 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000483511831 1070339765 /nfs/dbraw/zinc/33/97/65/1070339765.db2.gz SWLLVPKINIDZCT-QAPCUYQASA-N 1 0 400.479 -0.118 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483517004 1070340539 /nfs/dbraw/zinc/34/05/39/1070340539.db2.gz ZQDTXAXICFPRJN-BBWFWOEESA-N 1 0 414.572 -0.351 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483517005 1070340266 /nfs/dbraw/zinc/34/02/66/1070340266.db2.gz ZQDTXAXICFPRJN-GVDBMIGSSA-N 1 0 414.572 -0.351 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483517006 1070340069 /nfs/dbraw/zinc/34/00/69/1070340069.db2.gz ZQDTXAXICFPRJN-ULQDDVLXSA-N 1 0 414.572 -0.351 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483517007 1070340453 /nfs/dbraw/zinc/34/04/53/1070340453.db2.gz ZQDTXAXICFPRJN-YESZJQIVSA-N 1 0 414.572 -0.351 20 0 HBADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC000483520194 1070340212 /nfs/dbraw/zinc/34/02/12/1070340212.db2.gz SXNGBIDHGUNAPF-UHFFFAOYSA-N 1 0 412.560 -0.365 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1C ZINC000483521236 1070340191 /nfs/dbraw/zinc/34/01/91/1070340191.db2.gz VKKZNESEEPVYES-UHFFFAOYSA-N 1 0 424.571 -0.222 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000483539898 1070341911 /nfs/dbraw/zinc/34/19/11/1070341911.db2.gz XEUWYCXGVVDNGB-INIZCTEOSA-N 1 0 408.503 -0.309 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000483539907 1070342147 /nfs/dbraw/zinc/34/21/47/1070342147.db2.gz XEUWYCXGVVDNGB-MRXNPFEDSA-N 1 0 408.503 -0.309 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000483544848 1070341365 /nfs/dbraw/zinc/34/13/65/1070341365.db2.gz POSNCRQJSUGRIW-UHFFFAOYSA-N 1 0 405.499 -0.188 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483577226 1070342457 /nfs/dbraw/zinc/34/24/57/1070342457.db2.gz BUDJRYRBFQCVAM-UHFFFAOYSA-N 1 0 406.439 -0.401 20 0 HBADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483584567 1070342873 /nfs/dbraw/zinc/34/28/73/1070342873.db2.gz SWTFEDYORSEFQV-INIZCTEOSA-N 1 0 418.450 -0.522 20 0 HBADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483584575 1070343120 /nfs/dbraw/zinc/34/31/20/1070343120.db2.gz SWTFEDYORSEFQV-MRXNPFEDSA-N 1 0 418.450 -0.522 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000483591728 1070342813 /nfs/dbraw/zinc/34/28/13/1070342813.db2.gz KKNVVCYEJYFUEY-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000483601704 1070343009 /nfs/dbraw/zinc/34/30/09/1070343009.db2.gz XEMNSWCWBFNZHR-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000483629509 1070343608 /nfs/dbraw/zinc/34/36/08/1070343608.db2.gz CWAMAPJPIIMCGN-AWEZNQCLSA-N 1 0 410.496 -0.006 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000483629510 1070343569 /nfs/dbraw/zinc/34/35/69/1070343569.db2.gz CWAMAPJPIIMCGN-CQSZACIVSA-N 1 0 410.496 -0.006 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000483635624 1070344146 /nfs/dbraw/zinc/34/41/46/1070344146.db2.gz SYKIIWFUBGJBGW-DLBZAZTESA-N 1 0 411.499 -0.216 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000483639023 1070344275 /nfs/dbraw/zinc/34/42/75/1070344275.db2.gz SYCMOSUFLCCLEZ-HNNXBMFYSA-N 1 0 420.514 -0.201 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000483639024 1070344225 /nfs/dbraw/zinc/34/42/25/1070344225.db2.gz SYCMOSUFLCCLEZ-OAHLLOKOSA-N 1 0 420.514 -0.201 20 0 HBADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000483644074 1070343530 /nfs/dbraw/zinc/34/35/30/1070343530.db2.gz PAEGKRWAMZKZQE-KRWDZBQOSA-N 1 0 409.531 -0.037 20 0 HBADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000483644077 1070343431 /nfs/dbraw/zinc/34/34/31/1070343431.db2.gz PAEGKRWAMZKZQE-QGZVFWFLSA-N 1 0 409.531 -0.037 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000483684788 1070345143 /nfs/dbraw/zinc/34/51/43/1070345143.db2.gz QXZKSEZOWKDUMK-UHFFFAOYSA-N 1 0 406.487 -0.457 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000483698269 1070346114 /nfs/dbraw/zinc/34/61/14/1070346114.db2.gz KFABREFEULBEKT-UHFFFAOYSA-N 1 0 407.471 -0.126 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 ZINC000483831930 1070348279 /nfs/dbraw/zinc/34/82/79/1070348279.db2.gz LVRIYUPEOQTFPT-UHFFFAOYSA-N 1 0 411.528 -0.405 20 0 HBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)cn1 ZINC000483834733 1070348863 /nfs/dbraw/zinc/34/88/63/1070348863.db2.gz QUALSCZQAXQHDG-UHFFFAOYSA-N 1 0 408.503 -0.127 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCOC)c1C ZINC000483835199 1070348981 /nfs/dbraw/zinc/34/89/81/1070348981.db2.gz FJEMKDWECQFUSG-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)CC1 ZINC000483836407 1070349555 /nfs/dbraw/zinc/34/95/55/1070349555.db2.gz UDRQRCUEABRYKO-UHFFFAOYSA-N 1 0 422.486 -0.684 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C ZINC000483838726 1070349499 /nfs/dbraw/zinc/34/94/99/1070349499.db2.gz QZSVTDYMFKJDTF-UHFFFAOYSA-N 1 0 420.470 -0.930 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC000483839672 1070349743 /nfs/dbraw/zinc/34/97/43/1070349743.db2.gz SFXCFSVPFQBUQY-HNNXBMFYSA-N 1 0 422.486 -0.638 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000483839674 1070349326 /nfs/dbraw/zinc/34/93/26/1070349326.db2.gz SFXCFSVPFQBUQY-OAHLLOKOSA-N 1 0 422.486 -0.638 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000483862640 1070349790 /nfs/dbraw/zinc/34/97/90/1070349790.db2.gz AWRSJXOANPMCBK-UHFFFAOYSA-N 1 0 411.528 -0.131 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483877365 1070349433 /nfs/dbraw/zinc/34/94/33/1070349433.db2.gz GGTNXDXLZGAAGT-UHFFFAOYSA-N 1 0 406.439 -0.449 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483879259 1070349676 /nfs/dbraw/zinc/34/96/76/1070349676.db2.gz KFLBGPXBQAAUNG-INIZCTEOSA-N 1 0 418.450 -0.258 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483879262 1070350297 /nfs/dbraw/zinc/35/02/97/1070350297.db2.gz KFLBGPXBQAAUNG-MRXNPFEDSA-N 1 0 418.450 -0.258 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000483879704 1070350245 /nfs/dbraw/zinc/35/02/45/1070350245.db2.gz FQCZYWOQRQCKSI-INIZCTEOSA-N 1 0 422.507 -0.676 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000483879708 1070350074 /nfs/dbraw/zinc/35/00/74/1070350074.db2.gz FQCZYWOQRQCKSI-MRXNPFEDSA-N 1 0 422.507 -0.676 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000483881110 1070350214 /nfs/dbraw/zinc/35/02/14/1070350214.db2.gz JAILSZBBNKIGOH-INIZCTEOSA-N 1 0 420.514 -0.068 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000483881115 1070349932 /nfs/dbraw/zinc/34/99/32/1070349932.db2.gz JAILSZBBNKIGOH-MRXNPFEDSA-N 1 0 420.514 -0.068 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1OC ZINC000483884198 1070350966 /nfs/dbraw/zinc/35/09/66/1070350966.db2.gz PIUASUBIEMHZKR-HNNXBMFYSA-N 1 0 424.523 -0.018 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1OC ZINC000483884199 1070350730 /nfs/dbraw/zinc/35/07/30/1070350730.db2.gz PIUASUBIEMHZKR-OAHLLOKOSA-N 1 0 424.523 -0.018 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)c(C)c1 ZINC000483884653 1070350572 /nfs/dbraw/zinc/35/05/72/1070350572.db2.gz QCLJYYYNSNTSKB-UHFFFAOYSA-N 1 0 406.483 -0.121 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C(N)=O ZINC000483888961 1070350673 /nfs/dbraw/zinc/35/06/73/1070350673.db2.gz FANFVQYYZFTVGE-HNNXBMFYSA-N 1 0 419.482 -0.033 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1C(N)=O ZINC000483888969 1070350913 /nfs/dbraw/zinc/35/09/13/1070350913.db2.gz FANFVQYYZFTVGE-OAHLLOKOSA-N 1 0 419.482 -0.033 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)c1 ZINC000483893027 1070351495 /nfs/dbraw/zinc/35/14/95/1070351495.db2.gz FDLVWFHCCZEMDV-INIZCTEOSA-N 1 0 419.482 -0.486 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C)c1 ZINC000483893029 1070351339 /nfs/dbraw/zinc/35/13/39/1070351339.db2.gz FDLVWFHCCZEMDV-MRXNPFEDSA-N 1 0 419.482 -0.486 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000483894367 1070352842 /nfs/dbraw/zinc/35/28/42/1070352842.db2.gz KZIQIUXXUKWFEM-UHFFFAOYSA-N 1 0 406.439 -0.401 20 0 HBADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000483894679 1070353022 /nfs/dbraw/zinc/35/30/22/1070353022.db2.gz GZTOMXLZMUGYDR-UHFFFAOYSA-N 1 0 418.479 -0.150 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000483898546 1070352904 /nfs/dbraw/zinc/35/29/04/1070352904.db2.gz UFPKTHIOAWOUDB-AWEZNQCLSA-N 1 0 406.439 -0.124 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000483898548 1070352669 /nfs/dbraw/zinc/35/26/69/1070352669.db2.gz UFPKTHIOAWOUDB-CQSZACIVSA-N 1 0 406.439 -0.124 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000483908100 1070352299 /nfs/dbraw/zinc/35/22/99/1070352299.db2.gz FRBWRCPGPSCGRI-KRWDZBQOSA-N 1 0 403.483 -0.521 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000483908101 1070352073 /nfs/dbraw/zinc/35/20/73/1070352073.db2.gz FRBWRCPGPSCGRI-QGZVFWFLSA-N 1 0 403.483 -0.521 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1OCC(N)=O ZINC000483911101 1070352227 /nfs/dbraw/zinc/35/22/27/1070352227.db2.gz LPDBSYFZFOXUTA-HNNXBMFYSA-N 1 0 404.467 -0.062 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1OCC(N)=O ZINC000483911103 1070351962 /nfs/dbraw/zinc/35/19/62/1070351962.db2.gz LPDBSYFZFOXUTA-OAHLLOKOSA-N 1 0 404.467 -0.062 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)S(=O)(=O)c1cccnc1 ZINC000483915154 1070352391 /nfs/dbraw/zinc/35/23/91/1070352391.db2.gz SIIIHLPTFVUOAA-INIZCTEOSA-N 1 0 409.512 -0.533 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)S(=O)(=O)c1cccnc1 ZINC000483915158 1070352143 /nfs/dbraw/zinc/35/21/43/1070352143.db2.gz SIIIHLPTFVUOAA-MRXNPFEDSA-N 1 0 409.512 -0.533 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nc2n(C)c1=O ZINC000483920134 1070352774 /nfs/dbraw/zinc/35/27/74/1070352774.db2.gz IDBBRIDTCLHZNK-HNNXBMFYSA-N 1 0 414.466 -0.989 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nc2n(C)c1=O ZINC000483920135 1070353168 /nfs/dbraw/zinc/35/31/68/1070353168.db2.gz IDBBRIDTCLHZNK-OAHLLOKOSA-N 1 0 414.466 -0.989 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000483924688 1070353977 /nfs/dbraw/zinc/35/39/77/1070353977.db2.gz HFALPEOIXYTBOM-UHFFFAOYSA-N 1 0 413.500 -0.501 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000483925294 1070353928 /nfs/dbraw/zinc/35/39/28/1070353928.db2.gz IMCBEKIQRCMQMZ-HNNXBMFYSA-N 1 0 404.467 -0.069 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000483925296 1070353511 /nfs/dbraw/zinc/35/35/11/1070353511.db2.gz IMCBEKIQRCMQMZ-OAHLLOKOSA-N 1 0 404.467 -0.069 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483925421 1070353678 /nfs/dbraw/zinc/35/36/78/1070353678.db2.gz NWBAZSANNBRDGJ-HNNXBMFYSA-N 1 0 404.533 -0.904 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483925422 1070353548 /nfs/dbraw/zinc/35/35/48/1070353548.db2.gz NWBAZSANNBRDGJ-OAHLLOKOSA-N 1 0 404.533 -0.904 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cnc2n(C)c1=O ZINC000483927000 1070353747 /nfs/dbraw/zinc/35/37/47/1070353747.db2.gz QJZVBXPZIXYSAK-HNNXBMFYSA-N 1 0 414.466 -0.989 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cnc2n(C)c1=O ZINC000483927398 1070353601 /nfs/dbraw/zinc/35/36/01/1070353601.db2.gz QJZVBXPZIXYSAK-OAHLLOKOSA-N 1 0 414.466 -0.989 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nc2c(=O)[nH]c1=O ZINC000483927420 1070354034 /nfs/dbraw/zinc/35/40/34/1070354034.db2.gz QLCWVASGGKLOBJ-GFCCVEGCSA-N 1 0 417.470 -0.940 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nc2c(=O)[nH]c1=O ZINC000483927422 1070353388 /nfs/dbraw/zinc/35/33/88/1070353388.db2.gz QLCWVASGGKLOBJ-LBPRGKRZSA-N 1 0 417.470 -0.940 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000483929538 1070353847 /nfs/dbraw/zinc/35/38/47/1070353847.db2.gz VVHMQCGUPAGNRD-INIZCTEOSA-N 1 0 409.512 -0.485 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000483929541 1070353789 /nfs/dbraw/zinc/35/37/89/1070353789.db2.gz VVHMQCGUPAGNRD-MRXNPFEDSA-N 1 0 409.512 -0.485 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483935716 1070354753 /nfs/dbraw/zinc/35/47/53/1070354753.db2.gz VVFMPPXEFOQTJX-CABCVRRESA-N 1 0 420.601 -0.188 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483935717 1070354567 /nfs/dbraw/zinc/35/45/67/1070354567.db2.gz VVFMPPXEFOQTJX-GJZGRUSLSA-N 1 0 420.601 -0.188 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483935718 1070354662 /nfs/dbraw/zinc/35/46/62/1070354662.db2.gz VVFMPPXEFOQTJX-HUUCEWRRSA-N 1 0 420.601 -0.188 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483935719 1070354298 /nfs/dbraw/zinc/35/42/98/1070354298.db2.gz VVFMPPXEFOQTJX-LSDHHAIUSA-N 1 0 420.601 -0.188 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000483935778 1070354818 /nfs/dbraw/zinc/35/48/18/1070354818.db2.gz WIXSDWMXOOGCFT-GOSISDBHSA-N 1 0 400.527 -0.031 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000483935779 1070354523 /nfs/dbraw/zinc/35/45/23/1070354523.db2.gz WIXSDWMXOOGCFT-SFHVURJKSA-N 1 0 400.527 -0.031 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000483936023 1070354475 /nfs/dbraw/zinc/35/44/75/1070354475.db2.gz YCCOUQWDVZZXSN-INIZCTEOSA-N 1 0 400.545 -0.043 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000483936024 1070354425 /nfs/dbraw/zinc/35/44/25/1070354425.db2.gz YCCOUQWDVZZXSN-MRXNPFEDSA-N 1 0 400.545 -0.043 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000483937679 1070355284 /nfs/dbraw/zinc/35/52/84/1070355284.db2.gz GOANPJKAJADLHK-HNNXBMFYSA-N 1 0 407.471 -0.126 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000483937680 1070355090 /nfs/dbraw/zinc/35/50/90/1070355090.db2.gz GOANPJKAJADLHK-OAHLLOKOSA-N 1 0 407.471 -0.126 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)sc1S(N)(=O)=O ZINC000483940129 1070355925 /nfs/dbraw/zinc/35/59/25/1070355925.db2.gz FGDVMPQYRSXPEB-LLVKDONJSA-N 1 0 416.525 -0.217 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)sc1S(N)(=O)=O ZINC000483940224 1070355756 /nfs/dbraw/zinc/35/57/56/1070355756.db2.gz FGDVMPQYRSXPEB-NSHDSACASA-N 1 0 416.525 -0.217 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1C ZINC000483952794 1070355870 /nfs/dbraw/zinc/35/58/70/1070355870.db2.gz YYMBGEIUZAHJCE-UHFFFAOYSA-N 1 0 407.471 -0.126 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCSC1 ZINC000483955117 1070355443 /nfs/dbraw/zinc/35/54/43/1070355443.db2.gz AQFJJQJGVNVVBQ-HNNXBMFYSA-N 1 0 404.489 -0.035 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCSC1 ZINC000483955118 1070355321 /nfs/dbraw/zinc/35/53/21/1070355321.db2.gz AQFJJQJGVNVVBQ-OAHLLOKOSA-N 1 0 404.489 -0.035 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)cnc2n(C)c1=O ZINC000483965355 1070357329 /nfs/dbraw/zinc/35/73/29/1070357329.db2.gz ZPRYWUOLAJDZMU-GOSISDBHSA-N 1 0 420.495 -0.876 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)cnc2n(C)c1=O ZINC000483965364 1070357278 /nfs/dbraw/zinc/35/72/78/1070357278.db2.gz ZPRYWUOLAJDZMU-SFHVURJKSA-N 1 0 420.495 -0.876 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000483983176 1070356638 /nfs/dbraw/zinc/35/66/38/1070356638.db2.gz WUSXETQAJLXHPG-INIZCTEOSA-N 1 0 403.483 -0.152 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000483983177 1070357196 /nfs/dbraw/zinc/35/71/96/1070357196.db2.gz WUSXETQAJLXHPG-MRXNPFEDSA-N 1 0 403.483 -0.152 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000484006780 1070357584 /nfs/dbraw/zinc/35/75/84/1070357584.db2.gz MULBUGFOUKGDGC-HNNXBMFYSA-N 1 0 405.499 -0.190 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000484006802 1070357533 /nfs/dbraw/zinc/35/75/33/1070357533.db2.gz MULBUGFOUKGDGC-OAHLLOKOSA-N 1 0 405.499 -0.190 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)c(=O)n2C ZINC000484011832 1070358849 /nfs/dbraw/zinc/35/88/49/1070358849.db2.gz XHAMIMMZTANJLQ-AWEZNQCLSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)c(=O)n2C ZINC000484011833 1070359113 /nfs/dbraw/zinc/35/91/13/1070359113.db2.gz XHAMIMMZTANJLQ-CQSZACIVSA-N 1 0 404.471 -0.996 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000484028902 1070358411 /nfs/dbraw/zinc/35/84/11/1070358411.db2.gz XZRHNIQKQJQRON-INIZCTEOSA-N 1 0 420.466 -0.012 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000484028903 1070358233 /nfs/dbraw/zinc/35/82/33/1070358233.db2.gz XZRHNIQKQJQRON-MRXNPFEDSA-N 1 0 420.466 -0.012 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484031654 1070358553 /nfs/dbraw/zinc/35/85/53/1070358553.db2.gz GCIOFPHDHJILLM-BBWFWOEESA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484031655 1070358298 /nfs/dbraw/zinc/35/82/98/1070358298.db2.gz GCIOFPHDHJILLM-BRWVUGGUSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484031657 1070358340 /nfs/dbraw/zinc/35/83/40/1070358340.db2.gz GCIOFPHDHJILLM-GVDBMIGSSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484031659 1070358609 /nfs/dbraw/zinc/35/86/09/1070358609.db2.gz GCIOFPHDHJILLM-ZACQAIPSSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484034102 1070358165 /nfs/dbraw/zinc/35/81/65/1070358165.db2.gz NVTXUBSAGMEJJV-MOPGFXCFSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484034103 1070358431 /nfs/dbraw/zinc/35/84/31/1070358431.db2.gz NVTXUBSAGMEJJV-OALUTQOASA-N 1 0 408.543 -0.262 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484034104 1070359207 /nfs/dbraw/zinc/35/92/07/1070359207.db2.gz NVTXUBSAGMEJJV-RBUKOAKNSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484034105 1070358911 /nfs/dbraw/zinc/35/89/11/1070358911.db2.gz NVTXUBSAGMEJJV-RTBURBONSA-N 1 0 408.543 -0.262 20 0 HBADRO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CCO1 ZINC000484036741 1070358938 /nfs/dbraw/zinc/35/89/38/1070358938.db2.gz DSISEGVDVAGSAO-HNNXBMFYSA-N 1 0 404.423 -0.696 20 0 HBADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CCO1 ZINC000484036742 1070358813 /nfs/dbraw/zinc/35/88/13/1070358813.db2.gz DSISEGVDVAGSAO-OAHLLOKOSA-N 1 0 404.423 -0.696 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CC[NH+](C)CC3)cn1)c(=O)n2C ZINC000484039854 1070360516 /nfs/dbraw/zinc/36/05/16/1070360516.db2.gz IGQRUHSQOXFCFT-UHFFFAOYSA-N 1 0 412.454 -0.781 20 0 HBADRO C[N@H+](CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccc(F)cc1 ZINC000484047548 1070360794 /nfs/dbraw/zinc/36/07/94/1070360794.db2.gz QTUUAIRVEUMRFH-UHFFFAOYSA-N 1 0 404.450 -0.202 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1=O ZINC000484054511 1070359496 /nfs/dbraw/zinc/35/94/96/1070359496.db2.gz OREAJOKCWIISCS-CYBMUJFWSA-N 1 0 403.439 -0.168 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1=O ZINC000484054512 1070359600 /nfs/dbraw/zinc/35/96/00/1070359600.db2.gz OREAJOKCWIISCS-ZDUSSCGKSA-N 1 0 403.439 -0.168 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000484060606 1070362373 /nfs/dbraw/zinc/36/23/73/1070362373.db2.gz OJTHLHPVTFCMDG-AWEZNQCLSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000484060607 1070362058 /nfs/dbraw/zinc/36/20/58/1070362058.db2.gz OJTHLHPVTFCMDG-CQSZACIVSA-N 1 0 404.471 -0.996 20 0 HBADRO CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000484063794 1070362107 /nfs/dbraw/zinc/36/21/07/1070362107.db2.gz BNUCFMVCHIYYOE-INIZCTEOSA-N 1 0 400.545 -0.187 20 0 HBADRO CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000484063814 1070362455 /nfs/dbraw/zinc/36/24/55/1070362455.db2.gz BNUCFMVCHIYYOE-MRXNPFEDSA-N 1 0 400.545 -0.187 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCSC1 ZINC000484070120 1070361454 /nfs/dbraw/zinc/36/14/54/1070361454.db2.gz QWXRBFBVMDMDOL-GOSISDBHSA-N 1 0 406.512 -0.490 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCSC1 ZINC000484070121 1070361772 /nfs/dbraw/zinc/36/17/72/1070361772.db2.gz QWXRBFBVMDMDOL-SFHVURJKSA-N 1 0 406.512 -0.490 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1C ZINC000484070966 1070361606 /nfs/dbraw/zinc/36/16/06/1070361606.db2.gz HQTRJDGGCBNWPV-INIZCTEOSA-N 1 0 413.544 -0.032 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1C ZINC000484070967 1070361708 /nfs/dbraw/zinc/36/17/08/1070361708.db2.gz HQTRJDGGCBNWPV-MRXNPFEDSA-N 1 0 413.544 -0.032 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1=O ZINC000484078345 1070361489 /nfs/dbraw/zinc/36/14/89/1070361489.db2.gz UMKUQTJTQJICDK-GOSISDBHSA-N 1 0 417.510 -0.012 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1=O ZINC000484078347 1070362402 /nfs/dbraw/zinc/36/24/02/1070362402.db2.gz UMKUQTJTQJICDK-SFHVURJKSA-N 1 0 417.510 -0.012 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000484082903 1070361660 /nfs/dbraw/zinc/36/16/60/1070361660.db2.gz MCJXUOCQBABROF-CVEARBPZSA-N 1 0 400.545 -0.187 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000484082906 1070361563 /nfs/dbraw/zinc/36/15/63/1070361563.db2.gz MCJXUOCQBABROF-HOTGVXAUSA-N 1 0 400.545 -0.187 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000484082908 1070361281 /nfs/dbraw/zinc/36/12/81/1070361281.db2.gz MCJXUOCQBABROF-HZPDHXFCSA-N 1 0 400.545 -0.187 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000484082911 1070361351 /nfs/dbraw/zinc/36/13/51/1070361351.db2.gz MCJXUOCQBABROF-JKSUJKDBSA-N 1 0 400.545 -0.187 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000484089746 1070363080 /nfs/dbraw/zinc/36/30/80/1070363080.db2.gz ULXGLTQOIRVNDB-HNNXBMFYSA-N 1 0 418.498 -0.605 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000484089747 1070362965 /nfs/dbraw/zinc/36/29/65/1070362965.db2.gz ULXGLTQOIRVNDB-OAHLLOKOSA-N 1 0 418.498 -0.605 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000484094582 1070363574 /nfs/dbraw/zinc/36/35/74/1070363574.db2.gz OSZMPAHVBGPYDD-HNNXBMFYSA-N 1 0 420.470 -0.932 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000484094583 1070363287 /nfs/dbraw/zinc/36/32/87/1070363287.db2.gz OSZMPAHVBGPYDD-OAHLLOKOSA-N 1 0 420.470 -0.932 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cnc21 ZINC000484105166 1070364286 /nfs/dbraw/zinc/36/42/86/1070364286.db2.gz IZNXAGGNTJNPIA-AWEZNQCLSA-N 1 0 400.439 -0.587 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cnc21 ZINC000484105170 1070364579 /nfs/dbraw/zinc/36/45/79/1070364579.db2.gz IZNXAGGNTJNPIA-CQSZACIVSA-N 1 0 400.439 -0.587 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000484133467 1070365524 /nfs/dbraw/zinc/36/55/24/1070365524.db2.gz NGYHURHHJAZBEI-CABCVRRESA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000484133470 1070365494 /nfs/dbraw/zinc/36/54/94/1070365494.db2.gz NGYHURHHJAZBEI-GJZGRUSLSA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000484133471 1070365559 /nfs/dbraw/zinc/36/55/59/1070365559.db2.gz NGYHURHHJAZBEI-HUUCEWRRSA-N 1 0 402.499 -0.182 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000484133472 1070365628 /nfs/dbraw/zinc/36/56/28/1070365628.db2.gz NGYHURHHJAZBEI-LSDHHAIUSA-N 1 0 402.499 -0.182 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000484134099 1070365584 /nfs/dbraw/zinc/36/55/84/1070365584.db2.gz UDABVCQKVYFFRP-HNNXBMFYSA-N 1 0 410.496 -0.279 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000484134101 1070365453 /nfs/dbraw/zinc/36/54/53/1070365453.db2.gz UDABVCQKVYFFRP-OAHLLOKOSA-N 1 0 410.496 -0.279 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484164787 1070366666 /nfs/dbraw/zinc/36/66/66/1070366666.db2.gz RSCKNKWGRUEUAL-FGTMMUONSA-N 1 0 423.558 -0.633 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484164788 1070366574 /nfs/dbraw/zinc/36/65/74/1070366574.db2.gz RSCKNKWGRUEUAL-KURKYZTESA-N 1 0 423.558 -0.633 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484164789 1070366722 /nfs/dbraw/zinc/36/67/22/1070366722.db2.gz RSCKNKWGRUEUAL-KZNAEPCWSA-N 1 0 423.558 -0.633 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484164790 1070366702 /nfs/dbraw/zinc/36/67/02/1070366702.db2.gz RSCKNKWGRUEUAL-SQNIBIBYSA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000484193425 1070368190 /nfs/dbraw/zinc/36/81/90/1070368190.db2.gz TVXYJMKYXXTPBH-AWEZNQCLSA-N 1 0 420.514 -0.070 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000484193428 1070368243 /nfs/dbraw/zinc/36/82/43/1070368243.db2.gz TVXYJMKYXXTPBH-CQSZACIVSA-N 1 0 420.514 -0.070 20 0 HBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000484195742 1070366783 /nfs/dbraw/zinc/36/67/83/1070366783.db2.gz WHGWYADNRKMBGK-UHFFFAOYSA-N 1 0 415.494 -0.055 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000484215514 1070368420 /nfs/dbraw/zinc/36/84/20/1070368420.db2.gz XXPDQTXCXAEJNK-CYBMUJFWSA-N 1 0 411.528 -0.406 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000484215515 1070368692 /nfs/dbraw/zinc/36/86/92/1070368692.db2.gz XXPDQTXCXAEJNK-ZDUSSCGKSA-N 1 0 411.528 -0.406 20 0 HBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000484216249 1070369102 /nfs/dbraw/zinc/36/91/02/1070369102.db2.gz YWSJSVQXBSVGLJ-AWEZNQCLSA-N 1 0 408.503 -0.128 20 0 HBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000484216263 1070368972 /nfs/dbraw/zinc/36/89/72/1070368972.db2.gz YWSJSVQXBSVGLJ-CQSZACIVSA-N 1 0 408.503 -0.128 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000484241934 1070370922 /nfs/dbraw/zinc/37/09/22/1070370922.db2.gz BLGYGWPQFABGOJ-UHFFFAOYSA-N 1 0 413.500 -0.765 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000484251371 1070370338 /nfs/dbraw/zinc/37/03/38/1070370338.db2.gz FOQZERWMYCMWKN-GXTWGEPZSA-N 1 0 401.489 -0.801 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000484251376 1070370392 /nfs/dbraw/zinc/37/03/92/1070370392.db2.gz FOQZERWMYCMWKN-JSGCOSHPSA-N 1 0 401.489 -0.801 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000484251378 1070370555 /nfs/dbraw/zinc/37/05/55/1070370555.db2.gz FOQZERWMYCMWKN-OCCSQVGLSA-N 1 0 401.489 -0.801 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000484251381 1070370356 /nfs/dbraw/zinc/37/03/56/1070370356.db2.gz FOQZERWMYCMWKN-TZMCWYRMSA-N 1 0 401.489 -0.801 20 0 HBADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000484260744 1070370411 /nfs/dbraw/zinc/37/04/11/1070370411.db2.gz YNZWPORUFHLDOS-UHFFFAOYSA-N 1 0 403.483 -0.051 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000484264837 1070371477 /nfs/dbraw/zinc/37/14/77/1070371477.db2.gz WITAIKTYMLTLPR-UHFFFAOYSA-N 1 0 405.499 -0.311 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000484326888 1070374743 /nfs/dbraw/zinc/37/47/43/1070374743.db2.gz TVVJCDANQNKFGY-UHFFFAOYSA-N 1 0 408.503 -0.213 20 0 HBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000484348912 1070376555 /nfs/dbraw/zinc/37/65/55/1070376555.db2.gz IPAQPNYHBHBIIQ-INIZCTEOSA-N 1 0 418.523 -0.214 20 0 HBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000484348914 1070376330 /nfs/dbraw/zinc/37/63/30/1070376330.db2.gz IPAQPNYHBHBIIQ-MRXNPFEDSA-N 1 0 418.523 -0.214 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000484352108 1070376428 /nfs/dbraw/zinc/37/64/28/1070376428.db2.gz PKMCISSHORWSIP-UHFFFAOYSA-N 1 0 411.528 -0.325 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)cc2n(C)c1=O ZINC000484354249 1070377013 /nfs/dbraw/zinc/37/70/13/1070377013.db2.gz VCMHPJCQLQHQGX-UHFFFAOYSA-N 1 0 402.499 -0.042 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000484356853 1070375797 /nfs/dbraw/zinc/37/57/97/1070375797.db2.gz VXFRIRFRIBVMMO-UHFFFAOYSA-N 1 0 413.500 -0.501 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000484361688 1070375608 /nfs/dbraw/zinc/37/56/08/1070375608.db2.gz AUZZXOKISSTJJR-INIZCTEOSA-N 1 0 401.467 -0.582 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000484361689 1070375882 /nfs/dbraw/zinc/37/58/82/1070375882.db2.gz AUZZXOKISSTJJR-MRXNPFEDSA-N 1 0 401.467 -0.582 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c2ccccc2O1 ZINC000484361736 1070375854 /nfs/dbraw/zinc/37/58/54/1070375854.db2.gz QSKDMDUSHHXPAQ-GOSISDBHSA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c2ccccc2O1 ZINC000484361737 1070375663 /nfs/dbraw/zinc/37/56/63/1070375663.db2.gz QSKDMDUSHHXPAQ-SFHVURJKSA-N 1 0 417.510 -0.331 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000484363112 1070376893 /nfs/dbraw/zinc/37/68/93/1070376893.db2.gz CTFXMUZEVSKOBY-HNNXBMFYSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000484363113 1070377248 /nfs/dbraw/zinc/37/72/48/1070377248.db2.gz CTFXMUZEVSKOBY-OAHLLOKOSA-N 1 0 405.430 -0.372 20 0 HBADRO COCCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000484363899 1070377052 /nfs/dbraw/zinc/37/70/52/1070377052.db2.gz FCIKAHKRIAOSFN-INIZCTEOSA-N 1 0 419.482 -0.190 20 0 HBADRO COCCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000484363902 1070376948 /nfs/dbraw/zinc/37/69/48/1070376948.db2.gz FCIKAHKRIAOSFN-MRXNPFEDSA-N 1 0 419.482 -0.190 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000484364051 1070377138 /nfs/dbraw/zinc/37/71/38/1070377138.db2.gz BKUAFAAVCDJLJD-HNNXBMFYSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000484364052 1070377344 /nfs/dbraw/zinc/37/73/44/1070377344.db2.gz BKUAFAAVCDJLJD-OAHLLOKOSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000484364058 1070377299 /nfs/dbraw/zinc/37/72/99/1070377299.db2.gz BNLPJVPKBHINQR-INIZCTEOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000484364059 1070376840 /nfs/dbraw/zinc/37/68/40/1070376840.db2.gz BNLPJVPKBHINQR-MRXNPFEDSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000484365321 1070377774 /nfs/dbraw/zinc/37/77/74/1070377774.db2.gz DHUZDQKVQOOCQL-INIZCTEOSA-N 1 0 417.466 -0.746 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000484365323 1070377948 /nfs/dbraw/zinc/37/79/48/1070377948.db2.gz DHUZDQKVQOOCQL-MRXNPFEDSA-N 1 0 417.466 -0.746 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 ZINC000484366209 1070377483 /nfs/dbraw/zinc/37/74/83/1070377483.db2.gz ADAAGJDDNSYVGA-CYBMUJFWSA-N 1 0 407.496 -0.081 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 ZINC000484366212 1070378128 /nfs/dbraw/zinc/37/81/28/1070378128.db2.gz ADAAGJDDNSYVGA-ZDUSSCGKSA-N 1 0 407.496 -0.081 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000484366661 1070377867 /nfs/dbraw/zinc/37/78/67/1070377867.db2.gz FVWRNKWJRLDOSD-HNNXBMFYSA-N 1 0 415.450 -0.279 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000484366673 1070378056 /nfs/dbraw/zinc/37/80/56/1070378056.db2.gz FVWRNKWJRLDOSD-OAHLLOKOSA-N 1 0 415.450 -0.279 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@](C)(O)C2CCCCC2)cn1 ZINC000484367111 1070378278 /nfs/dbraw/zinc/37/82/78/1070378278.db2.gz JUHKSGXHJPMDLR-FQEVSTJZSA-N 1 0 422.530 -0.053 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)C2CCCCC2)cn1 ZINC000484367129 1070378239 /nfs/dbraw/zinc/37/82/39/1070378239.db2.gz JUHKSGXHJPMDLR-HXUWFJFHSA-N 1 0 422.530 -0.053 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2oc1=O ZINC000484367326 1070377719 /nfs/dbraw/zinc/37/77/19/1070377719.db2.gz CEMBWENTTCCWCS-HNNXBMFYSA-N 1 0 415.450 -0.165 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2oc1=O ZINC000484367327 1070378188 /nfs/dbraw/zinc/37/81/88/1070378188.db2.gz CEMBWENTTCCWCS-OAHLLOKOSA-N 1 0 415.450 -0.165 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000484368384 1070377999 /nfs/dbraw/zinc/37/79/99/1070377999.db2.gz LNAWRZNMQPSZER-KRWDZBQOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000484368388 1070377659 /nfs/dbraw/zinc/37/76/59/1070377659.db2.gz LNAWRZNMQPSZER-QGZVFWFLSA-N 1 0 411.466 -0.029 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)cc1-n1cnnn1 ZINC000484370784 1070378839 /nfs/dbraw/zinc/37/88/39/1070378839.db2.gz NAQAVPPAYWGKJK-UHFFFAOYSA-N 1 0 416.486 -0.248 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000484372269 1070379085 /nfs/dbraw/zinc/37/90/85/1070379085.db2.gz RWMSRTVEFBMDNR-INIZCTEOSA-N 1 0 422.507 -0.206 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000484372271 1070378725 /nfs/dbraw/zinc/37/87/25/1070378725.db2.gz RWMSRTVEFBMDNR-MRXNPFEDSA-N 1 0 422.507 -0.206 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000484374759 1070378931 /nfs/dbraw/zinc/37/89/31/1070378931.db2.gz SFNJUXOCEUYDSI-HNNXBMFYSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000484374761 1070378982 /nfs/dbraw/zinc/37/89/82/1070378982.db2.gz SFNJUXOCEUYDSI-OAHLLOKOSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000484374949 1070378421 /nfs/dbraw/zinc/37/84/21/1070378421.db2.gz WHPKNJYCFTVULG-HNNXBMFYSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000484374950 1070378531 /nfs/dbraw/zinc/37/85/31/1070378531.db2.gz WHPKNJYCFTVULG-OAHLLOKOSA-N 1 0 412.454 -0.634 20 0 HBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1C(N)=O ZINC000484375012 1070378786 /nfs/dbraw/zinc/37/87/86/1070378786.db2.gz NGIQOOXXXJCPDP-INIZCTEOSA-N 1 0 401.467 -0.203 20 0 HBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1C(N)=O ZINC000484375013 1070379193 /nfs/dbraw/zinc/37/91/93/1070379193.db2.gz NGIQOOXXXJCPDP-MRXNPFEDSA-N 1 0 401.467 -0.203 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000484375064 1070379136 /nfs/dbraw/zinc/37/91/36/1070379136.db2.gz NMQVGWZMFUFTQW-HNNXBMFYSA-N 1 0 423.495 -0.963 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000484375068 1070378663 /nfs/dbraw/zinc/37/86/63/1070378663.db2.gz NMQVGWZMFUFTQW-OAHLLOKOSA-N 1 0 423.495 -0.963 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)cc2C1=O ZINC000484375266 1070378642 /nfs/dbraw/zinc/37/86/42/1070378642.db2.gz SKXMJRJJLYRNKU-UHFFFAOYSA-N 1 0 401.467 -0.007 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000484375368 1070378486 /nfs/dbraw/zinc/37/84/86/1070378486.db2.gz TZALYUQCOUIPJV-INIZCTEOSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000484375370 1070379033 /nfs/dbraw/zinc/37/90/33/1070379033.db2.gz TZALYUQCOUIPJV-MRXNPFEDSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000484376740 1070378870 /nfs/dbraw/zinc/37/88/70/1070378870.db2.gz YOILWDYQGWLPPZ-INIZCTEOSA-N 1 0 422.507 -0.206 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000484376741 1070378578 /nfs/dbraw/zinc/37/85/78/1070378578.db2.gz YOILWDYQGWLPPZ-MRXNPFEDSA-N 1 0 422.507 -0.206 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000484378739 1070379547 /nfs/dbraw/zinc/37/95/47/1070379547.db2.gz YVQJMQJSQQIAQT-INIZCTEOSA-N 1 0 417.466 -0.746 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000484378742 1070379849 /nfs/dbraw/zinc/37/98/49/1070379849.db2.gz YVQJMQJSQQIAQT-MRXNPFEDSA-N 1 0 417.466 -0.746 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000484378775 1070379440 /nfs/dbraw/zinc/37/94/40/1070379440.db2.gz YWONNEUNIIAASQ-INIZCTEOSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000484378778 1070379356 /nfs/dbraw/zinc/37/93/56/1070379356.db2.gz YWONNEUNIIAASQ-MRXNPFEDSA-N 1 0 412.454 -0.634 20 0 HBADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000484380705 1070379720 /nfs/dbraw/zinc/37/97/20/1070379720.db2.gz DYKWGNUJNVXJCO-INIZCTEOSA-N 1 0 419.482 -0.190 20 0 HBADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000484380706 1070379796 /nfs/dbraw/zinc/37/97/96/1070379796.db2.gz DYKWGNUJNVXJCO-MRXNPFEDSA-N 1 0 419.482 -0.190 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000484381033 1070379622 /nfs/dbraw/zinc/37/96/22/1070379622.db2.gz XFSSCRYPIJNHAI-UHFFFAOYSA-N 1 0 405.499 -0.108 20 0 HBADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000484387848 1070380403 /nfs/dbraw/zinc/38/04/03/1070380403.db2.gz KVVPQCUJOQDONI-INIZCTEOSA-N 1 0 401.467 -0.250 20 0 HBADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000484387850 1070380041 /nfs/dbraw/zinc/38/00/41/1070380041.db2.gz KVVPQCUJOQDONI-MRXNPFEDSA-N 1 0 401.467 -0.250 20 0 HBADRO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000484389664 1070380570 /nfs/dbraw/zinc/38/05/70/1070380570.db2.gz AEBDIBBDOPYLBQ-INIZCTEOSA-N 1 0 416.482 -0.513 20 0 HBADRO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000484389665 1070380209 /nfs/dbraw/zinc/38/02/09/1070380209.db2.gz AEBDIBBDOPYLBQ-MRXNPFEDSA-N 1 0 416.482 -0.513 20 0 HBADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000484390962 1070381334 /nfs/dbraw/zinc/38/13/34/1070381334.db2.gz CJWREHNAAOYKBV-INIZCTEOSA-N 1 0 401.467 -0.203 20 0 HBADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000484390963 1070381141 /nfs/dbraw/zinc/38/11/41/1070381141.db2.gz CJWREHNAAOYKBV-MRXNPFEDSA-N 1 0 401.467 -0.203 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000484394060 1070380727 /nfs/dbraw/zinc/38/07/27/1070380727.db2.gz HHWQIVRYOUISHL-HNNXBMFYSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000484394061 1070381255 /nfs/dbraw/zinc/38/12/55/1070381255.db2.gz HHWQIVRYOUISHL-OAHLLOKOSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000484395969 1070380781 /nfs/dbraw/zinc/38/07/81/1070380781.db2.gz ZDKJULVGNWNSIO-AWEZNQCLSA-N 1 0 423.495 -0.811 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000484395979 1070381003 /nfs/dbraw/zinc/38/10/03/1070381003.db2.gz ZDKJULVGNWNSIO-CQSZACIVSA-N 1 0 423.495 -0.811 20 0 HBADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000484396014 1070381188 /nfs/dbraw/zinc/38/11/88/1070381188.db2.gz XBPNLSSAJHBULB-INIZCTEOSA-N 1 0 401.467 -0.250 20 0 HBADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000484396021 1070380950 /nfs/dbraw/zinc/38/09/50/1070380950.db2.gz XBPNLSSAJHBULB-MRXNPFEDSA-N 1 0 401.467 -0.250 20 0 HBADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484396823 1070381375 /nfs/dbraw/zinc/38/13/75/1070381375.db2.gz KSBMBYYIARNBDE-AWEZNQCLSA-N 1 0 418.450 -0.570 20 0 HBADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484396825 1070381059 /nfs/dbraw/zinc/38/10/59/1070381059.db2.gz KSBMBYYIARNBDE-CQSZACIVSA-N 1 0 418.450 -0.570 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000484398210 1070381780 /nfs/dbraw/zinc/38/17/80/1070381780.db2.gz YHDXOTTWLJKFHW-HNNXBMFYSA-N 1 0 422.507 -0.206 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000484398212 1070381966 /nfs/dbraw/zinc/38/19/66/1070381966.db2.gz YHDXOTTWLJKFHW-OAHLLOKOSA-N 1 0 422.507 -0.206 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C)c1 ZINC000484398689 1070380832 /nfs/dbraw/zinc/38/08/32/1070380832.db2.gz AFWOUSMYDKFCIZ-HNNXBMFYSA-N 1 0 406.483 -0.027 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(C)c1 ZINC000484398690 1070380898 /nfs/dbraw/zinc/38/08/98/1070380898.db2.gz AFWOUSMYDKFCIZ-OAHLLOKOSA-N 1 0 406.483 -0.027 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000484398752 1070380881 /nfs/dbraw/zinc/38/08/81/1070380881.db2.gz ANDOKYSNNDGYQU-AWEZNQCLSA-N 1 0 416.486 -0.089 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000484398757 1070381434 /nfs/dbraw/zinc/38/14/34/1070381434.db2.gz ANDOKYSNNDGYQU-CQSZACIVSA-N 1 0 416.486 -0.089 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000484400307 1070381837 /nfs/dbraw/zinc/38/18/37/1070381837.db2.gz PUHOQECWXDRDKL-KRWDZBQOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000484400310 1070381563 /nfs/dbraw/zinc/38/15/63/1070381563.db2.gz PUHOQECWXDRDKL-QGZVFWFLSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000484401152 1070381735 /nfs/dbraw/zinc/38/17/35/1070381735.db2.gz QSFBRHAITGXTOH-INIZCTEOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000484401154 1070382034 /nfs/dbraw/zinc/38/20/34/1070382034.db2.gz QSFBRHAITGXTOH-MRXNPFEDSA-N 1 0 411.466 -0.029 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000484401720 1069601996 /nfs/dbraw/zinc/60/19/96/1069601996.db2.gz GMHOEBRXIHIPMM-HNNXBMFYSA-N 1 0 406.487 -0.377 20 0 HBADRO COCCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000484401725 1069602128 /nfs/dbraw/zinc/60/21/28/1069602128.db2.gz GMHOEBRXIHIPMM-OAHLLOKOSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000484418878 1069419518 /nfs/dbraw/zinc/41/95/18/1069419518.db2.gz BYBXJIFNPWMORV-UHFFFAOYSA-N 1 0 401.529 -0.058 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC[C@@H]21 ZINC000484429916 1069554264 /nfs/dbraw/zinc/55/42/64/1069554264.db2.gz ITYMYNFVDBEYBN-CVEARBPZSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC[C@@H]21 ZINC000484429918 1069553967 /nfs/dbraw/zinc/55/39/67/1069553967.db2.gz ITYMYNFVDBEYBN-HOTGVXAUSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC[C@H]21 ZINC000484429920 1069553995 /nfs/dbraw/zinc/55/39/95/1069553995.db2.gz ITYMYNFVDBEYBN-HZPDHXFCSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC[C@H]21 ZINC000484429922 1070386890 /nfs/dbraw/zinc/38/68/90/1070386890.db2.gz ITYMYNFVDBEYBN-JKSUJKDBSA-N 1 0 418.498 -0.377 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cnc2n(C)c1=O ZINC000484432254 1070386926 /nfs/dbraw/zinc/38/69/26/1070386926.db2.gz VOUXVYNRUZHAKJ-DOMZBBRYSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cnc2n(C)c1=O ZINC000484432256 1070387641 /nfs/dbraw/zinc/38/76/41/1070387641.db2.gz VOUXVYNRUZHAKJ-IUODEOHRSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cnc2n(C)c1=O ZINC000484432257 1070387869 /nfs/dbraw/zinc/38/78/69/1070387869.db2.gz VOUXVYNRUZHAKJ-SWLSCSKDSA-N 1 0 414.466 -0.487 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cnc2n(C)c1=O ZINC000484432258 1070387525 /nfs/dbraw/zinc/38/75/25/1070387525.db2.gz VOUXVYNRUZHAKJ-WFASDCNBSA-N 1 0 414.466 -0.487 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC[C@H]21 ZINC000484433361 1070387779 /nfs/dbraw/zinc/38/77/79/1070387779.db2.gz OHFQANSQRUWUMZ-DOTOQJQBSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC[C@H]21 ZINC000484433393 1070387564 /nfs/dbraw/zinc/38/75/64/1070387564.db2.gz OHFQANSQRUWUMZ-NVXWUHKLSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC[C@@H]21 ZINC000484433394 1070387673 /nfs/dbraw/zinc/38/76/73/1070387673.db2.gz OHFQANSQRUWUMZ-RDJZCZTQSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC[C@@H]21 ZINC000484433395 1070387920 /nfs/dbraw/zinc/38/79/20/1070387920.db2.gz OHFQANSQRUWUMZ-WBVHZDCISA-N 1 0 418.498 -0.377 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000484437296 1070385317 /nfs/dbraw/zinc/38/53/17/1070385317.db2.gz VIUXAXNHKRQXIA-GDBMZVCRSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000484437298 1070385215 /nfs/dbraw/zinc/38/52/15/1070385215.db2.gz VIUXAXNHKRQXIA-GOEBONIOSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000484437299 1070385401 /nfs/dbraw/zinc/38/54/01/1070385401.db2.gz VIUXAXNHKRQXIA-HOCLYGCPSA-N 1 0 406.487 -0.473 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000484437302 1070385280 /nfs/dbraw/zinc/38/52/80/1070385280.db2.gz VIUXAXNHKRQXIA-ZBFHGGJFSA-N 1 0 406.487 -0.473 20 0 HBADRO C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000484439934 1070386093 /nfs/dbraw/zinc/38/60/93/1070386093.db2.gz FVTQMKQLYKFURU-GXTWGEPZSA-N 1 0 406.439 -0.297 20 0 HBADRO C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000484439936 1070385709 /nfs/dbraw/zinc/38/57/09/1070385709.db2.gz FVTQMKQLYKFURU-JSGCOSHPSA-N 1 0 406.439 -0.297 20 0 HBADRO C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000484439939 1070385967 /nfs/dbraw/zinc/38/59/67/1070385967.db2.gz FVTQMKQLYKFURU-OCCSQVGLSA-N 1 0 406.439 -0.297 20 0 HBADRO C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000484439942 1070385791 /nfs/dbraw/zinc/38/57/91/1070385791.db2.gz FVTQMKQLYKFURU-TZMCWYRMSA-N 1 0 406.439 -0.297 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC[C@H]21 ZINC000484442337 1070386493 /nfs/dbraw/zinc/38/64/93/1070386493.db2.gz NZZBMJPXOIUFDD-GDBMZVCRSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC[C@H]21 ZINC000484442338 1070386600 /nfs/dbraw/zinc/38/66/00/1070386600.db2.gz NZZBMJPXOIUFDD-GOEBONIOSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC[C@@H]21 ZINC000484442339 1070386279 /nfs/dbraw/zinc/38/62/79/1070386279.db2.gz NZZBMJPXOIUFDD-HOCLYGCPSA-N 1 0 401.467 -0.217 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC[C@@H]21 ZINC000484442340 1070386530 /nfs/dbraw/zinc/38/65/30/1070386530.db2.gz NZZBMJPXOIUFDD-ZBFHGGJFSA-N 1 0 401.467 -0.217 20 0 HBADRO O=C1[C@@H]2CS(=O)(=O)CCN2C(=O)N1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000484446464 1070386445 /nfs/dbraw/zinc/38/64/45/1070386445.db2.gz WYXFVWPHWRCBEW-KRWDZBQOSA-N 1 0 406.508 -0.135 20 0 HBADRO O=C1[C@H]2CS(=O)(=O)CCN2C(=O)N1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000484446465 1070386664 /nfs/dbraw/zinc/38/66/64/1070386664.db2.gz WYXFVWPHWRCBEW-QGZVFWFLSA-N 1 0 406.508 -0.135 20 0 HBADRO C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000484455846 1070388817 /nfs/dbraw/zinc/38/88/17/1070388817.db2.gz UJYRUXSEHHLAFR-KBXCAEBGSA-N 1 0 418.494 -0.069 20 0 HBADRO C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000484455848 1070388666 /nfs/dbraw/zinc/38/86/66/1070388666.db2.gz UJYRUXSEHHLAFR-KDOFPFPSSA-N 1 0 418.494 -0.069 20 0 HBADRO C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000484455849 1070388923 /nfs/dbraw/zinc/38/89/23/1070388923.db2.gz UJYRUXSEHHLAFR-KSSFIOAISA-N 1 0 418.494 -0.069 20 0 HBADRO C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000484455853 1070388977 /nfs/dbraw/zinc/38/89/77/1070388977.db2.gz UJYRUXSEHHLAFR-RDTXWAMCSA-N 1 0 418.494 -0.069 20 0 HBADRO C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000484458989 1070389268 /nfs/dbraw/zinc/38/92/68/1070389268.db2.gz SUQSPAQIAPZLRH-APWZRJJASA-N 1 0 420.510 -0.141 20 0 HBADRO C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000484458991 1070389641 /nfs/dbraw/zinc/38/96/41/1070389641.db2.gz SUQSPAQIAPZLRH-LPHOPBHVSA-N 1 0 420.510 -0.141 20 0 HBADRO C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000484458993 1070389421 /nfs/dbraw/zinc/38/94/21/1070389421.db2.gz SUQSPAQIAPZLRH-QFBILLFUSA-N 1 0 420.510 -0.141 20 0 HBADRO C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000484458994 1070389361 /nfs/dbraw/zinc/38/93/61/1070389361.db2.gz SUQSPAQIAPZLRH-VQIMIIECSA-N 1 0 420.510 -0.141 20 0 HBADRO O=C1[C@@H]2CS(=O)(=O)CCN2C(=O)N1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000484461792 1070389231 /nfs/dbraw/zinc/38/92/31/1070389231.db2.gz WKUCYOJFYRTFCH-INIZCTEOSA-N 1 0 407.496 -0.345 20 0 HBADRO O=C1[C@H]2CS(=O)(=O)CCN2C(=O)N1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000484461793 1070389624 /nfs/dbraw/zinc/38/96/24/1070389624.db2.gz WKUCYOJFYRTFCH-MRXNPFEDSA-N 1 0 407.496 -0.345 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC[C@H]21 ZINC000484461882 1070390100 /nfs/dbraw/zinc/39/01/00/1070390100.db2.gz ZDTCTBZFSYYJAY-GDBMZVCRSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC[C@H]21 ZINC000484461885 1070390065 /nfs/dbraw/zinc/39/00/65/1070390065.db2.gz ZDTCTBZFSYYJAY-GOEBONIOSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC[C@@H]21 ZINC000484461888 1070390151 /nfs/dbraw/zinc/39/01/51/1070390151.db2.gz ZDTCTBZFSYYJAY-HOCLYGCPSA-N 1 0 400.483 -0.101 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC[C@@H]21 ZINC000484461891 1070390214 /nfs/dbraw/zinc/39/02/14/1070390214.db2.gz ZDTCTBZFSYYJAY-ZBFHGGJFSA-N 1 0 400.483 -0.101 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)c1C ZINC000484572710 1070392493 /nfs/dbraw/zinc/39/24/93/1070392493.db2.gz HYBIQYVUJXGKDE-UHFFFAOYSA-N 1 0 412.512 -0.338 20 0 HBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000484573403 1070392393 /nfs/dbraw/zinc/39/23/93/1070392393.db2.gz JFOJMRSDNCDFND-UHFFFAOYSA-N 1 0 409.487 -0.060 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1C ZINC000484578823 1070392844 /nfs/dbraw/zinc/39/28/44/1070392844.db2.gz ZHHJVPSCTAAPPQ-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1C ZINC000484581178 1070394760 /nfs/dbraw/zinc/39/47/60/1070394760.db2.gz FYFQIVADEZVPKK-UHFFFAOYSA-N 1 0 412.512 -0.195 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1C ZINC000484589332 1070393423 /nfs/dbraw/zinc/39/34/23/1070393423.db2.gz XNWGWAFRCDJTCO-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000484628261 1070395406 /nfs/dbraw/zinc/39/54/06/1070395406.db2.gz MRWBNKMVWUMCDM-LTIDMASMSA-N 1 0 404.529 -0.035 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000484628562 1070394958 /nfs/dbraw/zinc/39/49/58/1070394958.db2.gz MRWBNKMVWUMCDM-LUKYLMHMSA-N 1 0 404.529 -0.035 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000484628563 1070395302 /nfs/dbraw/zinc/39/53/02/1070395302.db2.gz MRWBNKMVWUMCDM-VVLHAWIVSA-N 1 0 404.529 -0.035 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000484628564 1070395162 /nfs/dbraw/zinc/39/51/62/1070395162.db2.gz MRWBNKMVWUMCDM-WCXIOVBPSA-N 1 0 404.529 -0.035 20 0 HBADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000484629242 1070394887 /nfs/dbraw/zinc/39/48/87/1070394887.db2.gz ACNCXRYOEGJHNZ-CVEARBPZSA-N 1 0 403.487 -0.205 20 0 HBADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000484629243 1070395250 /nfs/dbraw/zinc/39/52/50/1070395250.db2.gz ACNCXRYOEGJHNZ-HOTGVXAUSA-N 1 0 403.487 -0.205 20 0 HBADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000484629244 1070395200 /nfs/dbraw/zinc/39/52/00/1070395200.db2.gz ACNCXRYOEGJHNZ-HZPDHXFCSA-N 1 0 403.487 -0.205 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000484629245 1070394987 /nfs/dbraw/zinc/39/49/87/1070394987.db2.gz ACNCXRYOEGJHNZ-JKSUJKDBSA-N 1 0 403.487 -0.205 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)C2(CO)CCOCC2)CC1 ZINC000484651097 1070396396 /nfs/dbraw/zinc/39/63/96/1070396396.db2.gz HDWPJUWAGYDWDN-UHFFFAOYSA-N 1 0 403.487 -0.515 20 0 HBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1(CO)CCOCC1 ZINC000484660978 1070395353 /nfs/dbraw/zinc/39/53/53/1070395353.db2.gz YWRWIOAIDPGCKP-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1CO ZINC000484691820 1070397094 /nfs/dbraw/zinc/39/70/94/1070397094.db2.gz UAENJBDBWSZRPL-WBVHZDCISA-N 1 0 411.524 -0.116 20 0 HBADRO COCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000484702699 1070397018 /nfs/dbraw/zinc/39/70/18/1070397018.db2.gz NQYSYZMCFXXOPZ-KGLIPLIRSA-N 1 0 411.503 -0.273 20 0 HBADRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1CO ZINC000484710491 1070397474 /nfs/dbraw/zinc/39/74/74/1070397474.db2.gz BTBLTBICRPDYAO-WBVHZDCISA-N 1 0 411.524 -0.116 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000484718569 1070396878 /nfs/dbraw/zinc/39/68/78/1070396878.db2.gz IFPBEYNLFZQZMD-AWEZNQCLSA-N 1 0 410.496 -0.157 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000484718570 1070396851 /nfs/dbraw/zinc/39/68/51/1070396851.db2.gz IFPBEYNLFZQZMD-CQSZACIVSA-N 1 0 410.496 -0.157 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000484734472 1070398291 /nfs/dbraw/zinc/39/82/91/1070398291.db2.gz HSIMKQXHZMQWSY-DOMZBBRYSA-N 1 0 400.501 -0.315 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c(=O)[nH]c1=O ZINC000484740023 1070397633 /nfs/dbraw/zinc/39/76/33/1070397633.db2.gz UGFQSNUHFYBZCC-KGLIPLIRSA-N 1 0 411.503 -0.129 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCN3CCC([NH+](C)C)CC3)cnc21 ZINC000484750230 1070398620 /nfs/dbraw/zinc/39/86/20/1070398620.db2.gz JLWVSJATNHQOIJ-UHFFFAOYSA-N 1 0 410.500 -0.662 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)nc1 ZINC000484751117 1070398864 /nfs/dbraw/zinc/39/88/64/1070398864.db2.gz BSUBQJXARYOJHH-UHFFFAOYSA-N 1 0 424.487 -0.492 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000484765461 1070400204 /nfs/dbraw/zinc/40/02/04/1070400204.db2.gz AWXFPLPKXPNRQE-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000484767094 1070400133 /nfs/dbraw/zinc/40/01/33/1070400133.db2.gz DSILNWWFNVENSY-UHFFFAOYSA-N 1 0 404.558 -0.101 20 0 HBADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000484783280 1070401587 /nfs/dbraw/zinc/40/15/87/1070401587.db2.gz INJLJIRQNKOZBO-UHFFFAOYSA-N 1 0 405.498 -0.062 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1 ZINC000484788545 1070402228 /nfs/dbraw/zinc/40/22/28/1070402228.db2.gz JIEYZKNLYACWGW-UHFFFAOYSA-N 1 0 410.500 -0.238 20 0 HBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@H]2C1 ZINC000484790218 1070402407 /nfs/dbraw/zinc/40/24/07/1070402407.db2.gz VAFAPTUGMASTLJ-OKILXGFUSA-N 1 0 407.496 -0.175 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)nc1 ZINC000484790602 1070402250 /nfs/dbraw/zinc/40/22/50/1070402250.db2.gz VMHAQRNVYJNJOO-UHFFFAOYSA-N 1 0 414.532 -0.499 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000484795817 1070403257 /nfs/dbraw/zinc/40/32/57/1070403257.db2.gz PLHHIWBSHNHYSI-AWEZNQCLSA-N 1 0 410.500 -0.240 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000484795829 1070403094 /nfs/dbraw/zinc/40/30/94/1070403094.db2.gz PLHHIWBSHNHYSI-CQSZACIVSA-N 1 0 410.500 -0.240 20 0 HBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000484811501 1070403865 /nfs/dbraw/zinc/40/38/65/1070403865.db2.gz UURKZZRBRCGHST-KRWDZBQOSA-N 1 0 407.540 -0.367 20 0 HBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000484811502 1070403965 /nfs/dbraw/zinc/40/39/65/1070403965.db2.gz UURKZZRBRCGHST-QGZVFWFLSA-N 1 0 407.540 -0.367 20 0 HBADRO CC(C)(CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000484818097 1070404880 /nfs/dbraw/zinc/40/48/80/1070404880.db2.gz HMKBFCFLYPIPII-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CC(C)(CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C[NH+]1CCCC1 ZINC000484828069 1069555503 /nfs/dbraw/zinc/55/55/03/1069555503.db2.gz IEDCGYRKVYQXTI-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC000484835794 1070406741 /nfs/dbraw/zinc/40/67/41/1070406741.db2.gz KFNULJJVSXXTQC-UHFFFAOYSA-N 1 0 412.560 -0.411 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)cnc2n(C)c1=O ZINC000484841430 1070405568 /nfs/dbraw/zinc/40/55/68/1070405568.db2.gz JMLXKQAQVIQOSP-UHFFFAOYSA-N 1 0 416.482 -0.191 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000484916170 1069432389 /nfs/dbraw/zinc/43/23/89/1069432389.db2.gz AGFSBCBQEUKWKI-MOPGFXCFSA-N 1 0 409.575 -0.206 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000484916180 1069432371 /nfs/dbraw/zinc/43/23/71/1069432371.db2.gz AGFSBCBQEUKWKI-OALUTQOASA-N 1 0 409.575 -0.206 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C ZINC000484916181 1069432352 /nfs/dbraw/zinc/43/23/52/1069432352.db2.gz AGFSBCBQEUKWKI-RBUKOAKNSA-N 1 0 409.575 -0.206 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000484916183 1069432357 /nfs/dbraw/zinc/43/23/57/1069432357.db2.gz AGFSBCBQEUKWKI-RTBURBONSA-N 1 0 409.575 -0.206 20 0 HBADRO CCC[NH+]1CCC(N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000484920168 1069431689 /nfs/dbraw/zinc/43/16/89/1069431689.db2.gz FOANNFSFRWQXMC-UHFFFAOYSA-N 1 0 409.575 -0.204 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000484921986 1069431816 /nfs/dbraw/zinc/43/18/16/1069431816.db2.gz ITMANPCKDTZJKV-IBGZPJMESA-N 1 0 409.575 -0.347 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000484921988 1069431705 /nfs/dbraw/zinc/43/17/05/1069431705.db2.gz ITMANPCKDTZJKV-LJQANCHMSA-N 1 0 409.575 -0.347 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)CC1)N1CCOCC1 ZINC000484940788 1069432338 /nfs/dbraw/zinc/43/23/38/1069432338.db2.gz PQPPRXRMJYJYGK-IBGZPJMESA-N 1 0 424.542 -0.741 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC1)N1CCOCC1 ZINC000484940792 1069432300 /nfs/dbraw/zinc/43/23/00/1069432300.db2.gz PQPPRXRMJYJYGK-LJQANCHMSA-N 1 0 424.542 -0.741 20 0 HBADRO COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000484971512 1070415059 /nfs/dbraw/zinc/41/50/59/1070415059.db2.gz AOMXUIXCRJOJDL-DLBZAZTESA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000484971513 1070415213 /nfs/dbraw/zinc/41/52/13/1070415213.db2.gz AOMXUIXCRJOJDL-IAGOWNOFSA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000484971514 1070415195 /nfs/dbraw/zinc/41/51/95/1070415195.db2.gz AOMXUIXCRJOJDL-IRXDYDNUSA-N 1 0 406.483 -0.085 20 0 HBADRO COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000484971515 1070415074 /nfs/dbraw/zinc/41/50/74/1070415074.db2.gz AOMXUIXCRJOJDL-SJORKVTESA-N 1 0 406.483 -0.085 20 0 HBADRO COCCN(C(=O)CN1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000484991278 1070417730 /nfs/dbraw/zinc/41/77/30/1070417730.db2.gz BLAIJGKVIBQWMC-MSOLQXFVSA-N 1 0 417.572 -0.307 20 0 HBADRO COCCN(C(=O)CN1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000484991283 1070417580 /nfs/dbraw/zinc/41/75/80/1070417580.db2.gz BLAIJGKVIBQWMC-QZTJIDSGSA-N 1 0 417.572 -0.307 20 0 HBADRO COCCN(C(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000484991286 1070417627 /nfs/dbraw/zinc/41/76/27/1070417627.db2.gz BLAIJGKVIBQWMC-ROUUACIJSA-N 1 0 417.572 -0.307 20 0 HBADRO COCCN(C(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000484991288 1070417719 /nfs/dbraw/zinc/41/77/19/1070417719.db2.gz BLAIJGKVIBQWMC-ZWKOTPCHSA-N 1 0 417.572 -0.307 20 0 HBADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000485007944 1070418601 /nfs/dbraw/zinc/41/86/01/1070418601.db2.gz HQCKYBCMHDSRPE-CABCVRRESA-N 1 0 402.517 -0.957 20 0 HBADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000485007945 1070418325 /nfs/dbraw/zinc/41/83/25/1070418325.db2.gz HQCKYBCMHDSRPE-GJZGRUSLSA-N 1 0 402.517 -0.957 20 0 HBADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000485007946 1070418467 /nfs/dbraw/zinc/41/84/67/1070418467.db2.gz HQCKYBCMHDSRPE-HUUCEWRRSA-N 1 0 402.517 -0.957 20 0 HBADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000485007947 1070418633 /nfs/dbraw/zinc/41/86/33/1070418633.db2.gz HQCKYBCMHDSRPE-LSDHHAIUSA-N 1 0 402.517 -0.957 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000485011302 1070419260 /nfs/dbraw/zinc/41/92/60/1070419260.db2.gz ZQFIMCZYDWTBED-JXFKEZNVSA-N 1 0 406.483 -0.349 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000485011304 1070419420 /nfs/dbraw/zinc/41/94/20/1070419420.db2.gz ZQFIMCZYDWTBED-OXJNMPFZSA-N 1 0 406.483 -0.349 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000485011305 1070419226 /nfs/dbraw/zinc/41/92/26/1070419226.db2.gz ZQFIMCZYDWTBED-OXQOHEQNSA-N 1 0 406.483 -0.349 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000485011306 1070419137 /nfs/dbraw/zinc/41/91/37/1070419137.db2.gz ZQFIMCZYDWTBED-UZLBHIALSA-N 1 0 406.483 -0.349 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)cnc2n(C)c1=O ZINC000485014209 1070419346 /nfs/dbraw/zinc/41/93/46/1070419346.db2.gz JNFZMXIVTDEBTG-UHFFFAOYSA-N 1 0 414.466 -0.296 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cn1 ZINC000485068409 1070427888 /nfs/dbraw/zinc/42/78/88/1070427888.db2.gz WHTIIAIYOYLLAT-UHFFFAOYSA-N 1 0 401.427 -0.680 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000485085538 1070429529 /nfs/dbraw/zinc/42/95/29/1070429529.db2.gz IHQXTEWZPXMKNC-UHFFFAOYSA-N 1 0 415.454 -0.338 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000485087597 1070430303 /nfs/dbraw/zinc/43/03/03/1070430303.db2.gz NSBCPTQRHQXOOP-UHFFFAOYSA-N 1 0 414.422 -0.120 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC1 ZINC000485088884 1070430282 /nfs/dbraw/zinc/43/02/82/1070430282.db2.gz FAOLENACGQPUGK-UHFFFAOYSA-N 1 0 415.454 -0.338 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(=O)N(C)C ZINC000485089558 1070430439 /nfs/dbraw/zinc/43/04/39/1070430439.db2.gz GHCGBWWCVZSAKN-HNNXBMFYSA-N 1 0 405.499 -0.156 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC(CC(N)=O)C3)cc2)CC1 ZINC000485091613 1070428612 /nfs/dbraw/zinc/42/86/12/1070428612.db2.gz GAASDOMTTXRYNV-UHFFFAOYSA-N 1 0 403.483 -0.415 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC(CC(N)=O)C2)CC1 ZINC000485095619 1070431045 /nfs/dbraw/zinc/43/10/45/1070431045.db2.gz NLKFEGOWJHVDNW-UHFFFAOYSA-N 1 0 401.467 -0.263 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cc1C ZINC000485096360 1070431149 /nfs/dbraw/zinc/43/11/49/1070431149.db2.gz XDPMKQIANVTUOB-UHFFFAOYSA-N 1 0 415.454 -0.372 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000485103869 1070431069 /nfs/dbraw/zinc/43/10/69/1070431069.db2.gz GSOJWSDTKCKYLL-NRFANRHFSA-N 1 0 417.510 -0.025 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000485103871 1070430944 /nfs/dbraw/zinc/43/09/44/1070430944.db2.gz GSOJWSDTKCKYLL-OAQYLSRUSA-N 1 0 417.510 -0.025 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)ccc2oc1=O ZINC000485111386 1070432756 /nfs/dbraw/zinc/43/27/56/1070432756.db2.gz AXZPKIWHNJPMGL-IBGZPJMESA-N 1 0 403.439 -0.182 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)ccc2oc1=O ZINC000485111388 1070432717 /nfs/dbraw/zinc/43/27/17/1070432717.db2.gz AXZPKIWHNJPMGL-LJQANCHMSA-N 1 0 403.439 -0.182 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCC(OCC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000485114386 1070431932 /nfs/dbraw/zinc/43/19/32/1070431932.db2.gz AVTNWWBXOISNRC-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(OCC[NH+](C)C)CC2)cn1C ZINC000485115550 1070431994 /nfs/dbraw/zinc/43/19/94/1070431994.db2.gz CLBZOEQVQJIRLS-UHFFFAOYSA-N 1 0 401.533 -0.034 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159473 1070435628 /nfs/dbraw/zinc/43/56/28/1070435628.db2.gz IVUJJKXMPHINKO-CABCVRRESA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159474 1070435667 /nfs/dbraw/zinc/43/56/67/1070435667.db2.gz IVUJJKXMPHINKO-GJZGRUSLSA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159475 1070435422 /nfs/dbraw/zinc/43/54/22/1070435422.db2.gz IVUJJKXMPHINKO-HUUCEWRRSA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159476 1070435521 /nfs/dbraw/zinc/43/55/21/1070435521.db2.gz IVUJJKXMPHINKO-LSDHHAIUSA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000485165399 1070436448 /nfs/dbraw/zinc/43/64/48/1070436448.db2.gz UFSVCTCTPNRKOW-KRWDZBQOSA-N 1 0 423.539 -0.087 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000485165400 1070436539 /nfs/dbraw/zinc/43/65/39/1070436539.db2.gz UFSVCTCTPNRKOW-QGZVFWFLSA-N 1 0 423.539 -0.087 20 0 HBADRO CCN1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC000485221287 1070439968 /nfs/dbraw/zinc/43/99/68/1070439968.db2.gz PIMPWCLVRSIUBZ-UHFFFAOYSA-N 1 0 403.483 -0.101 20 0 HBADRO CCN1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1=O ZINC000485231268 1070440147 /nfs/dbraw/zinc/44/01/47/1070440147.db2.gz APXAWUKOLDOLIV-UHFFFAOYSA-N 1 0 401.467 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000485246585 1070441445 /nfs/dbraw/zinc/44/14/45/1070441445.db2.gz QVVYMCVYZZBADH-INIZCTEOSA-N 1 0 415.560 -0.346 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000485246586 1070441489 /nfs/dbraw/zinc/44/14/89/1070441489.db2.gz QVVYMCVYZZBADH-MRXNPFEDSA-N 1 0 415.560 -0.346 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485256738 1070442928 /nfs/dbraw/zinc/44/29/28/1070442928.db2.gz UQCNLHUCHCTIGL-KRWDZBQOSA-N 1 0 408.547 -0.513 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485256741 1070443013 /nfs/dbraw/zinc/44/30/13/1070443013.db2.gz UQCNLHUCHCTIGL-QGZVFWFLSA-N 1 0 408.547 -0.513 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)cc21 ZINC000485289652 1070445759 /nfs/dbraw/zinc/44/57/59/1070445759.db2.gz PIHXYXOZQHWFEY-UHFFFAOYSA-N 1 0 413.381 -0.408 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000485295355 1070446658 /nfs/dbraw/zinc/44/66/58/1070446658.db2.gz XOJSTJDZZQQBKT-HNNXBMFYSA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000485295358 1070446700 /nfs/dbraw/zinc/44/67/00/1070446700.db2.gz XOJSTJDZZQQBKT-OAHLLOKOSA-N 1 0 401.533 -0.642 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000485317808 1070446844 /nfs/dbraw/zinc/44/68/44/1070446844.db2.gz YBBPCRQXEWIUBR-UHFFFAOYSA-N 1 0 408.550 -0.835 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000485383418 1069466391 /nfs/dbraw/zinc/46/63/91/1069466391.db2.gz PWRJUDVXFPESRX-UHFFFAOYSA-N 1 0 406.531 -0.331 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000485426008 1070452793 /nfs/dbraw/zinc/45/27/93/1070452793.db2.gz ADUKWHLLSGKVJZ-AWEZNQCLSA-N 1 0 420.514 -0.298 20 0 HBADRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000485426009 1070452935 /nfs/dbraw/zinc/45/29/35/1070452935.db2.gz ADUKWHLLSGKVJZ-CQSZACIVSA-N 1 0 420.514 -0.298 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CC1 ZINC000485429950 1070453491 /nfs/dbraw/zinc/45/34/91/1070453491.db2.gz UGARPKWXHSPBQY-UHFFFAOYSA-N 1 0 418.523 -0.389 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000485443210 1070453562 /nfs/dbraw/zinc/45/35/62/1070453562.db2.gz CHYALWWDTKYXRP-INIZCTEOSA-N 1 0 409.512 -0.218 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000485443214 1070453517 /nfs/dbraw/zinc/45/35/17/1070453517.db2.gz CHYALWWDTKYXRP-MRXNPFEDSA-N 1 0 409.512 -0.218 20 0 HBADRO O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000485444641 1070453679 /nfs/dbraw/zinc/45/36/79/1070453679.db2.gz UBIXKWWOJPTUEJ-KRWDZBQOSA-N 1 0 417.535 -0.184 20 0 HBADRO O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000485444642 1070453587 /nfs/dbraw/zinc/45/35/87/1070453587.db2.gz UBIXKWWOJPTUEJ-QGZVFWFLSA-N 1 0 417.535 -0.184 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000485448685 1070453650 /nfs/dbraw/zinc/45/36/50/1070453650.db2.gz DTFJEUXLLSLDSW-CYBMUJFWSA-N 1 0 415.541 -0.157 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000485448686 1070454351 /nfs/dbraw/zinc/45/43/51/1070454351.db2.gz DTFJEUXLLSLDSW-ZDUSSCGKSA-N 1 0 415.541 -0.157 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C1CC1 ZINC000485456199 1070455167 /nfs/dbraw/zinc/45/51/67/1070455167.db2.gz VMAOMZVLJZEELZ-UHFFFAOYSA-N 1 0 417.514 -0.828 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485457446 1070454934 /nfs/dbraw/zinc/45/49/34/1070454934.db2.gz ZCCMKXLUMTVTML-UHFFFAOYSA-N 1 0 417.576 -0.292 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)C1CC1 ZINC000485475270 1070455091 /nfs/dbraw/zinc/45/50/91/1070455091.db2.gz XILYRZIIUPWGIJ-UHFFFAOYSA-N 1 0 419.501 -0.090 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000485482938 1070456500 /nfs/dbraw/zinc/45/65/00/1070456500.db2.gz URGISUVYCDQIMR-AWEZNQCLSA-N 1 0 400.487 -0.333 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000485482939 1070456745 /nfs/dbraw/zinc/45/67/45/1070456745.db2.gz URGISUVYCDQIMR-CQSZACIVSA-N 1 0 400.487 -0.333 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000485487099 1070455986 /nfs/dbraw/zinc/45/59/86/1070455986.db2.gz ICLUUSRFDWGBEL-CVEARBPZSA-N 1 0 403.487 -0.527 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000485487106 1070455729 /nfs/dbraw/zinc/45/57/29/1070455729.db2.gz ICLUUSRFDWGBEL-HOTGVXAUSA-N 1 0 403.487 -0.527 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000485487109 1070456013 /nfs/dbraw/zinc/45/60/13/1070456013.db2.gz ICLUUSRFDWGBEL-HZPDHXFCSA-N 1 0 403.487 -0.527 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000485487112 1070455791 /nfs/dbraw/zinc/45/57/91/1070455791.db2.gz ICLUUSRFDWGBEL-JKSUJKDBSA-N 1 0 403.487 -0.527 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 ZINC000485501422 1070456674 /nfs/dbraw/zinc/45/66/74/1070456674.db2.gz GEADNKLEAHXUIQ-UHFFFAOYSA-N 1 0 408.524 -0.129 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000485507072 1070459067 /nfs/dbraw/zinc/45/90/67/1070459067.db2.gz SIVZQXIWYCVNEA-UHFFFAOYSA-N 1 0 412.487 -0.131 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000485508432 1070457641 /nfs/dbraw/zinc/45/76/41/1070457641.db2.gz DPOMSNYCMCNAPX-UHFFFAOYSA-N 1 0 413.522 -0.070 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485509972 1070457592 /nfs/dbraw/zinc/45/75/92/1070457592.db2.gz KZVFISXHSOXYEI-UHFFFAOYSA-N 1 0 404.533 -0.904 20 0 HBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C1 ZINC000485510669 1070457449 /nfs/dbraw/zinc/45/74/49/1070457449.db2.gz SUVJAICWGIHDBN-CALCHBBNSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C1 ZINC000485510670 1070457379 /nfs/dbraw/zinc/45/73/79/1070457379.db2.gz SUVJAICWGIHDBN-IAGOWNOFSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C1 ZINC000485510671 1070457571 /nfs/dbraw/zinc/45/75/71/1070457571.db2.gz SUVJAICWGIHDBN-IRXDYDNUSA-N 1 0 407.559 -0.155 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)cc1 ZINC000485529457 1070459272 /nfs/dbraw/zinc/45/92/72/1070459272.db2.gz FOSSRSKDPQWDFP-UHFFFAOYSA-N 1 0 424.523 -0.262 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)cs1 ZINC000485534790 1070458895 /nfs/dbraw/zinc/45/88/95/1070458895.db2.gz VSBPNDJXQANANU-UHFFFAOYSA-N 1 0 415.541 -0.505 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000485535976 1070458916 /nfs/dbraw/zinc/45/89/16/1070458916.db2.gz DVMUGJSMCWASTR-UHFFFAOYSA-N 1 0 402.499 -0.553 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(C)c1 ZINC000485556051 1070461460 /nfs/dbraw/zinc/46/14/60/1070461460.db2.gz ZEWJWFYHCJVDAI-HNNXBMFYSA-N 1 0 411.528 -0.346 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n(C)c1 ZINC000485556052 1070461378 /nfs/dbraw/zinc/46/13/78/1070461378.db2.gz ZEWJWFYHCJVDAI-OAHLLOKOSA-N 1 0 411.528 -0.346 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485563282 1070460544 /nfs/dbraw/zinc/46/05/44/1070460544.db2.gz VUMNFSJGVOLHDX-GOSISDBHSA-N 1 0 422.574 -0.075 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485563283 1070460652 /nfs/dbraw/zinc/46/06/52/1070460652.db2.gz VUMNFSJGVOLHDX-SFHVURJKSA-N 1 0 422.574 -0.075 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000485563904 1070459469 /nfs/dbraw/zinc/45/94/69/1070459469.db2.gz YTMWKXCAJGQSIA-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000485563905 1070460529 /nfs/dbraw/zinc/46/05/29/1070460529.db2.gz YTMWKXCAJGQSIA-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)no1 ZINC000485573950 1069698756 /nfs/dbraw/zinc/69/87/56/1069698756.db2.gz WRARIQYDOGJJCU-HNNXBMFYSA-N 1 0 406.487 -0.208 20 0 HBADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)no1 ZINC000485574713 1069698710 /nfs/dbraw/zinc/69/87/10/1069698710.db2.gz WRARIQYDOGJJCU-OAHLLOKOSA-N 1 0 406.487 -0.208 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000485575234 1070461356 /nfs/dbraw/zinc/46/13/56/1070461356.db2.gz XMMMZYKMIZFDGV-INIZCTEOSA-N 1 0 409.512 -0.218 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000485575238 1070461229 /nfs/dbraw/zinc/46/12/29/1070461229.db2.gz XMMMZYKMIZFDGV-MRXNPFEDSA-N 1 0 409.512 -0.218 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CC1 ZINC000485588369 1070462100 /nfs/dbraw/zinc/46/21/00/1070462100.db2.gz CHNXSDCSKDPVRJ-UHFFFAOYSA-N 1 0 406.508 -0.200 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000485589526 1070462288 /nfs/dbraw/zinc/46/22/88/1070462288.db2.gz GGPQWRWWPXEARM-HNNXBMFYSA-N 1 0 404.533 -0.904 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000485589527 1070462043 /nfs/dbraw/zinc/46/20/43/1070462043.db2.gz GGPQWRWWPXEARM-OAHLLOKOSA-N 1 0 404.533 -0.904 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000485589643 1070462001 /nfs/dbraw/zinc/46/20/01/1070462001.db2.gz GZYIBKGXSTWHTF-UHFFFAOYSA-N 1 0 401.511 -0.343 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CC1 ZINC000485597311 1070462624 /nfs/dbraw/zinc/46/26/24/1070462624.db2.gz FHHBYJKSEIESHV-OALUTQOASA-N 1 0 413.522 -0.088 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485598588 1070462866 /nfs/dbraw/zinc/46/28/66/1070462866.db2.gz XKFFSWAFDXXBQE-GOSISDBHSA-N 1 0 422.574 -0.123 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485598589 1070463018 /nfs/dbraw/zinc/46/30/18/1070463018.db2.gz XKFFSWAFDXXBQE-SFHVURJKSA-N 1 0 422.574 -0.123 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000485605691 1070462910 /nfs/dbraw/zinc/46/29/10/1070462910.db2.gz XJKJUYHMGULSCK-UHFFFAOYSA-N 1 0 406.512 -0.322 20 0 HBADRO CCN(CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000485617447 1070464624 /nfs/dbraw/zinc/46/46/24/1070464624.db2.gz DENXBQVXQFGBPK-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CCN(CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000485617448 1070464407 /nfs/dbraw/zinc/46/44/07/1070464407.db2.gz DENXBQVXQFGBPK-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NCC[N@H+](C)C3CC3)no2)cn1 ZINC000485623537 1070465118 /nfs/dbraw/zinc/46/51/18/1070465118.db2.gz UNZMDWFLLHYAKG-AWEZNQCLSA-N 1 0 403.443 -0.420 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)NCC[N@H+](C)C3CC3)no2)cn1 ZINC000485623538 1070465493 /nfs/dbraw/zinc/46/54/93/1070465493.db2.gz UNZMDWFLLHYAKG-CQSZACIVSA-N 1 0 403.443 -0.420 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000485625878 1070463783 /nfs/dbraw/zinc/46/37/83/1070463783.db2.gz ARYISVPRUUBPKB-UHFFFAOYSA-N 1 0 413.544 -0.098 20 0 HBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000485630610 1070465423 /nfs/dbraw/zinc/46/54/23/1070465423.db2.gz WDVFKYRTMRAKEV-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000485636355 1070465223 /nfs/dbraw/zinc/46/52/23/1070465223.db2.gz PWPSEKUYTNZKIH-INIZCTEOSA-N 1 0 419.530 -0.281 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000485636356 1070466191 /nfs/dbraw/zinc/46/61/91/1070466191.db2.gz PWPSEKUYTNZKIH-MRXNPFEDSA-N 1 0 419.530 -0.281 20 0 HBADRO COC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000485644058 1070465354 /nfs/dbraw/zinc/46/53/54/1070465354.db2.gz MOSXMZYMQVDBDE-HNNXBMFYSA-N 1 0 401.485 -0.511 20 0 HBADRO COC(=O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000485644059 1070465509 /nfs/dbraw/zinc/46/55/09/1070465509.db2.gz MOSXMZYMQVDBDE-OAHLLOKOSA-N 1 0 401.485 -0.511 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000485706263 1070471309 /nfs/dbraw/zinc/47/13/09/1070471309.db2.gz LXXPKSAIYLZDKE-DLBZAZTESA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000485706264 1070471316 /nfs/dbraw/zinc/47/13/16/1070471316.db2.gz LXXPKSAIYLZDKE-IAGOWNOFSA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000485706265 1070471338 /nfs/dbraw/zinc/47/13/38/1070471338.db2.gz LXXPKSAIYLZDKE-IRXDYDNUSA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000485706638 1070471326 /nfs/dbraw/zinc/47/13/26/1070471326.db2.gz LXXPKSAIYLZDKE-SJORKVTESA-N 1 0 404.577 -0.185 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000485712096 1070471340 /nfs/dbraw/zinc/47/13/40/1070471340.db2.gz YGGTWPOEHIVBAE-UHFFFAOYSA-N 1 0 413.544 -0.052 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000485771544 1070473632 /nfs/dbraw/zinc/47/36/32/1070473632.db2.gz ICQXPHSWKQBZMZ-UHFFFAOYSA-N 1 0 406.512 -0.322 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@H+](CCO)CC2CCCCC2)CC1)N1CCOCC1 ZINC000485859836 1069488669 /nfs/dbraw/zinc/48/86/69/1069488669.db2.gz RKELUBBIHWUUCG-UHFFFAOYSA-N 1 0 410.559 -0.136 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 ZINC000485871502 1070477801 /nfs/dbraw/zinc/47/78/01/1070477801.db2.gz GJXWTQIUDKYHJU-UHFFFAOYSA-N 1 0 422.511 -0.472 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 ZINC000485877456 1070477918 /nfs/dbraw/zinc/47/79/18/1070477918.db2.gz XOIZTLAVSZWWNX-UHFFFAOYSA-N 1 0 411.528 -0.490 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)nn1 ZINC000485902923 1070480086 /nfs/dbraw/zinc/48/00/86/1070480086.db2.gz YMQJJHDNRIOJEX-UHFFFAOYSA-N 1 0 401.471 -0.412 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1 ZINC000485913592 1070479906 /nfs/dbraw/zinc/47/99/06/1070479906.db2.gz NYBBMCNELLSPHO-UHFFFAOYSA-N 1 0 422.511 -0.694 20 0 HBADRO COC(=O)CN(CCN1CCOCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000485958972 1070482301 /nfs/dbraw/zinc/48/23/01/1070482301.db2.gz ZZAAEXWKQPOLFK-UHFFFAOYSA-N 1 0 405.499 -0.219 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000485979036 1070483081 /nfs/dbraw/zinc/48/30/81/1070483081.db2.gz NDDVHQKOMMEZPQ-UHFFFAOYSA-N 1 0 406.512 -0.322 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCS(=O)(=O)N3CCSCC3)ccn2)CC1 ZINC000485990045 1070483807 /nfs/dbraw/zinc/48/38/07/1070483807.db2.gz ZTPIAZFJAMRCFK-UHFFFAOYSA-N 1 0 413.569 -0.058 20 0 HBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486011053 1070484408 /nfs/dbraw/zinc/48/44/08/1070484408.db2.gz ANTSIRZXEHOUIS-AABGKKOBSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486011065 1070484423 /nfs/dbraw/zinc/48/44/23/1070484423.db2.gz ANTSIRZXEHOUIS-AQNXPRMDSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486011068 1070484441 /nfs/dbraw/zinc/48/44/41/1070484441.db2.gz ANTSIRZXEHOUIS-HSALFYBXSA-N 1 0 421.586 -0.349 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486011072 1070484394 /nfs/dbraw/zinc/48/43/94/1070484394.db2.gz ANTSIRZXEHOUIS-VAMGGRTRSA-N 1 0 421.586 -0.349 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cn1C ZINC000486012818 1070484368 /nfs/dbraw/zinc/48/43/68/1070484368.db2.gz COZBAGHSRKEJDC-GDBMZVCRSA-N 1 0 412.560 -0.509 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cn1C ZINC000486012819 1070484484 /nfs/dbraw/zinc/48/44/84/1070484484.db2.gz COZBAGHSRKEJDC-GOEBONIOSA-N 1 0 412.560 -0.509 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cn1C ZINC000486012820 1070484359 /nfs/dbraw/zinc/48/43/59/1070484359.db2.gz COZBAGHSRKEJDC-HOCLYGCPSA-N 1 0 412.560 -0.509 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cn1C ZINC000486012821 1070484479 /nfs/dbraw/zinc/48/44/79/1070484479.db2.gz COZBAGHSRKEJDC-ZBFHGGJFSA-N 1 0 412.560 -0.509 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000486027469 1070486168 /nfs/dbraw/zinc/48/61/68/1070486168.db2.gz NXPOWYRZYWNORQ-UHFFFAOYSA-N 1 0 402.499 -0.356 20 0 HBADRO CNc1nc(NCc2ccc(C)n(C)c2=O)nc(NCc2ccc(C)n(C)c2=O)[nH+]1 ZINC000486036536 1070485324 /nfs/dbraw/zinc/48/53/24/1070485324.db2.gz QJRIWCMACOWTKN-UHFFFAOYSA-N 1 0 410.482 -0.583 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486088093 1070488498 /nfs/dbraw/zinc/48/84/98/1070488498.db2.gz HJGPQJRTDBJHCH-KRWDZBQOSA-N 1 0 422.530 -0.985 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486088100 1070488601 /nfs/dbraw/zinc/48/86/01/1070488601.db2.gz HJGPQJRTDBJHCH-QGZVFWFLSA-N 1 0 422.530 -0.985 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000486094815 1070488572 /nfs/dbraw/zinc/48/85/72/1070488572.db2.gz MZKKUGPZAPKTSQ-UHFFFAOYSA-N 1 0 421.523 -0.177 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000486101750 1070488404 /nfs/dbraw/zinc/48/84/04/1070488404.db2.gz PKKQPCPOQYMWAG-CVEARBPZSA-N 1 0 417.514 -0.137 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000486101751 1070488485 /nfs/dbraw/zinc/48/84/85/1070488485.db2.gz PKKQPCPOQYMWAG-HOTGVXAUSA-N 1 0 417.514 -0.137 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000486101752 1070488543 /nfs/dbraw/zinc/48/85/43/1070488543.db2.gz PKKQPCPOQYMWAG-HZPDHXFCSA-N 1 0 417.514 -0.137 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000486101753 1070488449 /nfs/dbraw/zinc/48/84/49/1070488449.db2.gz PKKQPCPOQYMWAG-JKSUJKDBSA-N 1 0 417.514 -0.137 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000486114675 1070489569 /nfs/dbraw/zinc/48/95/69/1070489569.db2.gz HYDWBBWGOGRORJ-CVEARBPZSA-N 1 0 417.514 -0.218 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000486114680 1070489488 /nfs/dbraw/zinc/48/94/88/1070489488.db2.gz HYDWBBWGOGRORJ-HOTGVXAUSA-N 1 0 417.514 -0.218 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000486114682 1070489598 /nfs/dbraw/zinc/48/95/98/1070489598.db2.gz HYDWBBWGOGRORJ-HZPDHXFCSA-N 1 0 417.514 -0.218 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000486114684 1070489466 /nfs/dbraw/zinc/48/94/66/1070489466.db2.gz HYDWBBWGOGRORJ-JKSUJKDBSA-N 1 0 417.514 -0.218 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000486115563 1070489418 /nfs/dbraw/zinc/48/94/18/1070489418.db2.gz DPPPSNZKYAVYPK-KRWDZBQOSA-N 1 0 403.483 -0.001 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000486115564 1070489397 /nfs/dbraw/zinc/48/93/97/1070489397.db2.gz DPPPSNZKYAVYPK-QGZVFWFLSA-N 1 0 403.483 -0.001 20 0 HBADRO CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486125960 1070490117 /nfs/dbraw/zinc/49/01/17/1070490117.db2.gz KFPKZAAQVXFBDK-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486125961 1070490245 /nfs/dbraw/zinc/49/02/45/1070490245.db2.gz KFPKZAAQVXFBDK-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000486224208 1070492071 /nfs/dbraw/zinc/49/20/71/1070492071.db2.gz JETDWGMDEVTKDA-DLBZAZTESA-N 1 0 407.515 -0.286 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000486224209 1070491942 /nfs/dbraw/zinc/49/19/42/1070491942.db2.gz JETDWGMDEVTKDA-IAGOWNOFSA-N 1 0 407.515 -0.286 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000486224210 1070491968 /nfs/dbraw/zinc/49/19/68/1070491968.db2.gz JETDWGMDEVTKDA-IRXDYDNUSA-N 1 0 407.515 -0.286 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000486224211 1070492052 /nfs/dbraw/zinc/49/20/52/1070492052.db2.gz JETDWGMDEVTKDA-SJORKVTESA-N 1 0 407.515 -0.286 20 0 HBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000486226201 1070493761 /nfs/dbraw/zinc/49/37/61/1070493761.db2.gz CBSNJGSPMQQJEI-KRWDZBQOSA-N 1 0 423.539 -0.181 20 0 HBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000486226204 1070493595 /nfs/dbraw/zinc/49/35/95/1070493595.db2.gz CBSNJGSPMQQJEI-QGZVFWFLSA-N 1 0 423.539 -0.181 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)c(=O)n2C ZINC000486227831 1070493547 /nfs/dbraw/zinc/49/35/47/1070493547.db2.gz GMBHUOKGFVZIFT-HNNXBMFYSA-N 1 0 417.514 -0.938 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)c(=O)n2C ZINC000486227832 1070493655 /nfs/dbraw/zinc/49/36/55/1070493655.db2.gz GMBHUOKGFVZIFT-OAHLLOKOSA-N 1 0 417.514 -0.938 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000486230147 1070494618 /nfs/dbraw/zinc/49/46/18/1070494618.db2.gz ROHLSNKEDUROAU-CABCVRRESA-N 1 0 405.503 -0.313 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000486230148 1070494483 /nfs/dbraw/zinc/49/44/83/1070494483.db2.gz ROHLSNKEDUROAU-GJZGRUSLSA-N 1 0 405.503 -0.313 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000486230149 1070494737 /nfs/dbraw/zinc/49/47/37/1070494737.db2.gz ROHLSNKEDUROAU-HUUCEWRRSA-N 1 0 405.503 -0.313 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000486230150 1070494776 /nfs/dbraw/zinc/49/47/76/1070494776.db2.gz ROHLSNKEDUROAU-LSDHHAIUSA-N 1 0 405.503 -0.313 20 0 HBADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486237607 1070494640 /nfs/dbraw/zinc/49/46/40/1070494640.db2.gz XHFBQUPFIAESMR-PBHICJAKSA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486237609 1070495723 /nfs/dbraw/zinc/49/57/23/1070495723.db2.gz XHFBQUPFIAESMR-RHSMWYFYSA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486237611 1070495519 /nfs/dbraw/zinc/49/55/19/1070495519.db2.gz XHFBQUPFIAESMR-WMLDXEAASA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486237615 1070495655 /nfs/dbraw/zinc/49/56/55/1070495655.db2.gz XHFBQUPFIAESMR-YOEHRIQHSA-N 1 0 423.539 -0.101 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000486237851 1070492755 /nfs/dbraw/zinc/49/27/55/1070492755.db2.gz ZEZGHLKQLMWNOD-KRWDZBQOSA-N 1 0 416.461 -0.022 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000486237852 1070492840 /nfs/dbraw/zinc/49/28/40/1070492840.db2.gz ZEZGHLKQLMWNOD-QGZVFWFLSA-N 1 0 416.461 -0.022 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1S(N)(=O)=O ZINC000486238123 1070492694 /nfs/dbraw/zinc/49/26/94/1070492694.db2.gz ZOWNCQGFFPZLNE-INIZCTEOSA-N 1 0 423.539 -0.181 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1S(N)(=O)=O ZINC000486238124 1070492727 /nfs/dbraw/zinc/49/27/27/1070492727.db2.gz ZOWNCQGFFPZLNE-MRXNPFEDSA-N 1 0 423.539 -0.181 20 0 HBADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486238373 1070495809 /nfs/dbraw/zinc/49/58/09/1070495809.db2.gz ADFWZGUNEOZVIA-PBHICJAKSA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486238374 1070495761 /nfs/dbraw/zinc/49/57/61/1070495761.db2.gz ADFWZGUNEOZVIA-RHSMWYFYSA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486238375 1070495617 /nfs/dbraw/zinc/49/56/17/1070495617.db2.gz ADFWZGUNEOZVIA-WMLDXEAASA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486238376 1070495593 /nfs/dbraw/zinc/49/55/93/1070495593.db2.gz ADFWZGUNEOZVIA-YOEHRIQHSA-N 1 0 423.539 -0.101 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486239048 1070493772 /nfs/dbraw/zinc/49/37/72/1070493772.db2.gz GZIAGRNYXSKAOU-MSOLQXFVSA-N 1 0 415.542 -0.248 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486239049 1070493636 /nfs/dbraw/zinc/49/36/36/1070493636.db2.gz GZIAGRNYXSKAOU-QZTJIDSGSA-N 1 0 415.542 -0.248 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000486239050 1070493647 /nfs/dbraw/zinc/49/36/47/1070493647.db2.gz GZIAGRNYXSKAOU-ROUUACIJSA-N 1 0 415.542 -0.248 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000486239051 1070493731 /nfs/dbraw/zinc/49/37/31/1070493731.db2.gz GZIAGRNYXSKAOU-ZWKOTPCHSA-N 1 0 415.542 -0.248 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000486239086 1070492803 /nfs/dbraw/zinc/49/28/03/1070492803.db2.gz HMVPTEDLILMWLN-KRWDZBQOSA-N 1 0 401.515 -0.636 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000486239087 1070493743 /nfs/dbraw/zinc/49/37/43/1070493743.db2.gz HMVPTEDLILMWLN-QGZVFWFLSA-N 1 0 401.515 -0.636 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000486240872 1070493710 /nfs/dbraw/zinc/49/37/10/1070493710.db2.gz JONOSRCMAKWLCC-GOSISDBHSA-N 1 0 417.510 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000486240873 1070493580 /nfs/dbraw/zinc/49/35/80/1070493580.db2.gz JONOSRCMAKWLCC-SFHVURJKSA-N 1 0 417.510 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000486241997 1070495498 /nfs/dbraw/zinc/49/54/98/1070495498.db2.gz VKOMYEMFFBNECH-GOSISDBHSA-N 1 0 422.551 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000486242398 1070495824 /nfs/dbraw/zinc/49/58/24/1070495824.db2.gz VKOMYEMFFBNECH-SFHVURJKSA-N 1 0 422.551 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000486245195 1070496497 /nfs/dbraw/zinc/49/64/97/1070496497.db2.gz PSWRUMYIVNLTNH-INIZCTEOSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000486245196 1070496424 /nfs/dbraw/zinc/49/64/24/1070496424.db2.gz PSWRUMYIVNLTNH-MRXNPFEDSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000486248488 1070496475 /nfs/dbraw/zinc/49/64/75/1070496475.db2.gz DRJKCLOAQSSBKF-KRWDZBQOSA-N 1 0 423.539 -0.099 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000486248490 1070496367 /nfs/dbraw/zinc/49/63/67/1070496367.db2.gz DRJKCLOAQSSBKF-QGZVFWFLSA-N 1 0 423.539 -0.099 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000486256824 1070495671 /nfs/dbraw/zinc/49/56/71/1070495671.db2.gz YDJJOYDBKSKWOJ-INIZCTEOSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000486256828 1070495532 /nfs/dbraw/zinc/49/55/32/1070495532.db2.gz YDJJOYDBKSKWOJ-MRXNPFEDSA-N 1 0 409.512 -0.489 20 0 HBADRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000486307929 1070497330 /nfs/dbraw/zinc/49/73/30/1070497330.db2.gz ATVIYNXYNGVIJR-AWEZNQCLSA-N 1 0 409.512 -0.791 20 0 HBADRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000486307930 1070497358 /nfs/dbraw/zinc/49/73/58/1070497358.db2.gz ATVIYNXYNGVIJR-CQSZACIVSA-N 1 0 409.512 -0.791 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000486317885 1070499012 /nfs/dbraw/zinc/49/90/12/1070499012.db2.gz NWDXBIRPKQLYLQ-UHFFFAOYSA-N 1 0 421.523 -0.177 20 0 HBADRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000486396647 1070501636 /nfs/dbraw/zinc/50/16/36/1070501636.db2.gz CZVVBNIGVXFVBA-KRWDZBQOSA-N 1 0 422.551 -0.191 20 0 HBADRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000486396651 1070501845 /nfs/dbraw/zinc/50/18/45/1070501845.db2.gz CZVVBNIGVXFVBA-QGZVFWFLSA-N 1 0 422.551 -0.191 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC(=O)N1C ZINC000486485965 1070504068 /nfs/dbraw/zinc/50/40/68/1070504068.db2.gz IFGZGTRAUNZMAE-IIDMSEBBSA-N 1 0 419.530 -0.052 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC(=O)N1C ZINC000486485966 1070504109 /nfs/dbraw/zinc/50/41/09/1070504109.db2.gz IFGZGTRAUNZMAE-RVKKMQEKSA-N 1 0 419.530 -0.052 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000486487776 1070503959 /nfs/dbraw/zinc/50/39/59/1070503959.db2.gz NBQHSQGNEKMQSX-KRWDZBQOSA-N 1 0 418.608 -0.074 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000486487781 1070504006 /nfs/dbraw/zinc/50/40/06/1070504006.db2.gz NBQHSQGNEKMQSX-QGZVFWFLSA-N 1 0 418.608 -0.074 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000486563311 1070506885 /nfs/dbraw/zinc/50/68/85/1070506885.db2.gz OIWZYFKQALFSED-IBGZPJMESA-N 1 0 406.508 -0.032 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000486563316 1070506743 /nfs/dbraw/zinc/50/67/43/1070506743.db2.gz OIWZYFKQALFSED-LJQANCHMSA-N 1 0 406.508 -0.032 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000486620056 1070509734 /nfs/dbraw/zinc/50/97/34/1070509734.db2.gz JMQZEDBJNDVIMC-KRWDZBQOSA-N 1 0 406.508 -0.250 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000486620057 1070509626 /nfs/dbraw/zinc/50/96/26/1070509626.db2.gz JMQZEDBJNDVIMC-QGZVFWFLSA-N 1 0 406.508 -0.250 20 0 HBADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000486627957 1070508933 /nfs/dbraw/zinc/50/89/33/1070508933.db2.gz UWWJOQKHDYVXDF-HSALFYBXSA-N 1 0 417.506 -0.072 20 0 HBADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000486627960 1070508834 /nfs/dbraw/zinc/50/88/34/1070508834.db2.gz UWWJOQKHDYVXDF-SLFFLAALSA-N 1 0 417.506 -0.072 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)ccn2)CC1 ZINC000486648381 1070511565 /nfs/dbraw/zinc/51/15/65/1070511565.db2.gz ZGBKSVLGDDDBRU-UHFFFAOYSA-N 1 0 414.510 -0.260 20 0 HBADRO CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2C1 ZINC000486670720 1070512458 /nfs/dbraw/zinc/51/24/58/1070512458.db2.gz LEVHNWJWFJUPGZ-KRWDZBQOSA-N 1 0 416.526 -0.038 20 0 HBADRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2C1 ZINC000486670721 1070512215 /nfs/dbraw/zinc/51/22/15/1070512215.db2.gz LEVHNWJWFJUPGZ-QGZVFWFLSA-N 1 0 416.526 -0.038 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000486674165 1070512836 /nfs/dbraw/zinc/51/28/36/1070512836.db2.gz UVFKXONLBYKMGS-UHFFFAOYSA-N 1 0 402.499 -0.358 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)ccn2)CC1 ZINC000486682280 1070512972 /nfs/dbraw/zinc/51/29/72/1070512972.db2.gz HXPVWFIUDFTNRU-HNNXBMFYSA-N 1 0 409.512 -0.743 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccn2)CC1 ZINC000486682297 1070513026 /nfs/dbraw/zinc/51/30/26/1070513026.db2.gz HXPVWFIUDFTNRU-OAHLLOKOSA-N 1 0 409.512 -0.743 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccn2)CC1 ZINC000486756903 1070515922 /nfs/dbraw/zinc/51/59/22/1070515922.db2.gz GZBUVPXXYJNYFX-KRWDZBQOSA-N 1 0 407.540 -0.222 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccn2)CC1 ZINC000486756905 1070515728 /nfs/dbraw/zinc/51/57/28/1070515728.db2.gz GZBUVPXXYJNYFX-QGZVFWFLSA-N 1 0 407.540 -0.222 20 0 HBADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486771993 1070516302 /nfs/dbraw/zinc/51/63/02/1070516302.db2.gz MQKCQOZHQXLQLB-NEPJUHHUSA-N 1 0 404.455 -0.093 20 0 HBADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486771995 1070516559 /nfs/dbraw/zinc/51/65/59/1070516559.db2.gz MQKCQOZHQXLQLB-NWDGAFQWSA-N 1 0 404.455 -0.093 20 0 HBADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486771996 1070516634 /nfs/dbraw/zinc/51/66/34/1070516634.db2.gz MQKCQOZHQXLQLB-RYUDHWBXSA-N 1 0 404.455 -0.093 20 0 HBADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486771997 1070516446 /nfs/dbraw/zinc/51/64/46/1070516446.db2.gz MQKCQOZHQXLQLB-VXGBXAGGSA-N 1 0 404.455 -0.093 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000486780264 1070516370 /nfs/dbraw/zinc/51/63/70/1070516370.db2.gz QAICKSOAEVYNLG-GOSISDBHSA-N 1 0 421.567 -0.371 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000486780266 1070517098 /nfs/dbraw/zinc/51/70/98/1070517098.db2.gz QAICKSOAEVYNLG-SFHVURJKSA-N 1 0 421.567 -0.371 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H](C)C1 ZINC000486784596 1070518501 /nfs/dbraw/zinc/51/85/01/1070518501.db2.gz CQAGSCKKDCLCRS-GRYCIOLGSA-N 1 0 404.455 -0.095 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H](C)C1 ZINC000486784597 1070518147 /nfs/dbraw/zinc/51/81/47/1070518147.db2.gz CQAGSCKKDCLCRS-SDDRHHMPSA-N 1 0 404.455 -0.095 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H](C)C1 ZINC000486784598 1070518534 /nfs/dbraw/zinc/51/85/34/1070518534.db2.gz CQAGSCKKDCLCRS-SRVKXCTJSA-N 1 0 404.455 -0.095 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H](C)C1 ZINC000486784599 1070518375 /nfs/dbraw/zinc/51/83/75/1070518375.db2.gz CQAGSCKKDCLCRS-WOPDTQHZSA-N 1 0 404.455 -0.095 20 0 HBADRO CC(C)C[C@H](NC(=O)Cc1cc(S(N)(=O)=O)cn1C)C(=O)NCC[NH+](C)C ZINC000486790950 1070517145 /nfs/dbraw/zinc/51/71/45/1070517145.db2.gz IZZRCEQWCRCBOL-HNNXBMFYSA-N 1 0 401.533 -0.576 20 0 HBADRO CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000486794705 1070517835 /nfs/dbraw/zinc/51/78/35/1070517835.db2.gz HDRRDOMXEOIKDP-GOSISDBHSA-N 1 0 420.535 -0.236 20 0 HBADRO CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000486794707 1070517533 /nfs/dbraw/zinc/51/75/33/1070517533.db2.gz HDRRDOMXEOIKDP-SFHVURJKSA-N 1 0 420.535 -0.236 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486797354 1070517497 /nfs/dbraw/zinc/51/74/97/1070517497.db2.gz OLDUOFSCDRAFHV-NEPJUHHUSA-N 1 0 404.455 -0.093 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486797355 1070517773 /nfs/dbraw/zinc/51/77/73/1070517773.db2.gz OLDUOFSCDRAFHV-NWDGAFQWSA-N 1 0 404.455 -0.093 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486797357 1070517703 /nfs/dbraw/zinc/51/77/03/1070517703.db2.gz OLDUOFSCDRAFHV-RYUDHWBXSA-N 1 0 404.455 -0.093 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486797359 1070517668 /nfs/dbraw/zinc/51/76/68/1070517668.db2.gz OLDUOFSCDRAFHV-VXGBXAGGSA-N 1 0 404.455 -0.093 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F ZINC000486844720 1070519464 /nfs/dbraw/zinc/51/94/64/1070519464.db2.gz KXTJOXZINAOLLM-LLVKDONJSA-N 1 0 404.455 -0.093 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F ZINC000486844722 1070519664 /nfs/dbraw/zinc/51/96/64/1070519664.db2.gz KXTJOXZINAOLLM-NSHDSACASA-N 1 0 404.455 -0.093 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000486872145 1070520987 /nfs/dbraw/zinc/52/09/87/1070520987.db2.gz ITTFJAMWGGQQAJ-DLBZAZTESA-N 1 0 406.508 -0.033 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000486872146 1070521121 /nfs/dbraw/zinc/52/11/21/1070521121.db2.gz ITTFJAMWGGQQAJ-IAGOWNOFSA-N 1 0 406.508 -0.033 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000486872147 1070520784 /nfs/dbraw/zinc/52/07/84/1070520784.db2.gz ITTFJAMWGGQQAJ-IRXDYDNUSA-N 1 0 406.508 -0.033 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000486872148 1070520930 /nfs/dbraw/zinc/52/09/30/1070520930.db2.gz ITTFJAMWGGQQAJ-SJORKVTESA-N 1 0 406.508 -0.033 20 0 HBADRO Cn1cncc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2cncn2C)CC1 ZINC000486885421 1070521407 /nfs/dbraw/zinc/52/14/07/1070521407.db2.gz UPZGLKKURFOSEC-UHFFFAOYSA-N 1 0 416.530 -0.289 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)C(F)(F)F ZINC000486950445 1070523065 /nfs/dbraw/zinc/52/30/65/1070523065.db2.gz TUYOWDWURXBGFX-GFCCVEGCSA-N 1 0 404.455 -0.188 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)C(F)(F)F ZINC000486950446 1070523035 /nfs/dbraw/zinc/52/30/35/1070523035.db2.gz TUYOWDWURXBGFX-LBPRGKRZSA-N 1 0 404.455 -0.188 20 0 HBADRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2C1 ZINC000486991298 1070523928 /nfs/dbraw/zinc/52/39/28/1070523928.db2.gz UZWFMUQDDDTIDH-AEFFLSMTSA-N 1 0 416.526 -0.040 20 0 HBADRO CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2C1 ZINC000486991299 1070524220 /nfs/dbraw/zinc/52/42/20/1070524220.db2.gz UZWFMUQDDDTIDH-FUHWJXTLSA-N 1 0 416.526 -0.040 20 0 HBADRO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2C1 ZINC000486991300 1070524152 /nfs/dbraw/zinc/52/41/52/1070524152.db2.gz UZWFMUQDDDTIDH-SJLPKXTDSA-N 1 0 416.526 -0.040 20 0 HBADRO CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2C1 ZINC000486991301 1070524069 /nfs/dbraw/zinc/52/40/69/1070524069.db2.gz UZWFMUQDDDTIDH-WMZOPIPTSA-N 1 0 416.526 -0.040 20 0 HBADRO COC(=O)CCN(C)S(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486994258 1070524735 /nfs/dbraw/zinc/52/47/35/1070524735.db2.gz DPMLQKNMFGBOIN-UHFFFAOYSA-N 1 0 414.532 -0.292 20 0 HBADRO COC(=O)CCN(C)S(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000487013252 1070525789 /nfs/dbraw/zinc/52/57/89/1070525789.db2.gz LRSGYYUDVDGGDG-UHFFFAOYSA-N 1 0 400.501 -0.193 20 0 HBADRO CS[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000487083881 1070528923 /nfs/dbraw/zinc/52/89/23/1070528923.db2.gz IHEIIWKQJCIYHT-CABCVRRESA-N 1 0 420.601 -0.141 20 0 HBADRO CS[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000487083889 1070529082 /nfs/dbraw/zinc/52/90/82/1070529082.db2.gz IHEIIWKQJCIYHT-GJZGRUSLSA-N 1 0 420.601 -0.141 20 0 HBADRO CS[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1[NH+]1CCCC1 ZINC000487083890 1070529069 /nfs/dbraw/zinc/52/90/69/1070529069.db2.gz IHEIIWKQJCIYHT-HUUCEWRRSA-N 1 0 420.601 -0.141 20 0 HBADRO CS[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000487083891 1070528857 /nfs/dbraw/zinc/52/88/57/1070528857.db2.gz IHEIIWKQJCIYHT-LSDHHAIUSA-N 1 0 420.601 -0.141 20 0 HBADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H]1[NH+]1CCCC1 ZINC000487086213 1070529480 /nfs/dbraw/zinc/52/94/80/1070529480.db2.gz QECICIABBGHSEA-AAEUAGOBSA-N 1 0 416.525 -0.305 20 0 HBADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1[NH+]1CCCC1 ZINC000487086216 1070529459 /nfs/dbraw/zinc/52/94/59/1070529459.db2.gz QECICIABBGHSEA-DGCLKSJQSA-N 1 0 416.525 -0.305 20 0 HBADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H]1[NH+]1CCCC1 ZINC000487086219 1070529495 /nfs/dbraw/zinc/52/94/95/1070529495.db2.gz QECICIABBGHSEA-WCQYABFASA-N 1 0 416.525 -0.305 20 0 HBADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1[NH+]1CCCC1 ZINC000487086221 1070529527 /nfs/dbraw/zinc/52/95/27/1070529527.db2.gz QECICIABBGHSEA-YPMHNXCESA-N 1 0 416.525 -0.305 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000487094614 1070530166 /nfs/dbraw/zinc/53/01/66/1070530166.db2.gz DRFHZGMZYSADOD-CQSZACIVSA-N 1 0 403.483 -0.250 20 0 HBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000487110761 1070531246 /nfs/dbraw/zinc/53/12/46/1070531246.db2.gz IOXLRWZPRVRCDE-KBPBESRZSA-N 1 0 415.541 -0.570 20 0 HBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000487110764 1070531068 /nfs/dbraw/zinc/53/10/68/1070531068.db2.gz IOXLRWZPRVRCDE-KGLIPLIRSA-N 1 0 415.541 -0.570 20 0 HBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000487110765 1070531147 /nfs/dbraw/zinc/53/11/47/1070531147.db2.gz IOXLRWZPRVRCDE-UONOGXRCSA-N 1 0 415.541 -0.570 20 0 HBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000487110766 1070531226 /nfs/dbraw/zinc/53/12/26/1070531226.db2.gz IOXLRWZPRVRCDE-ZIAGYGMSSA-N 1 0 415.541 -0.570 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000487112718 1070531167 /nfs/dbraw/zinc/53/11/67/1070531167.db2.gz LHSFBTOAJBWJQP-CYBMUJFWSA-N 1 0 401.467 -0.043 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)CC1=O ZINC000487115780 1070531758 /nfs/dbraw/zinc/53/17/58/1070531758.db2.gz MXVOKBCCHVMKFW-KFWWJZLASA-N 1 0 415.512 -0.882 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)CC1=O ZINC000487115781 1070531569 /nfs/dbraw/zinc/53/15/69/1070531569.db2.gz MXVOKBCCHVMKFW-RBSFLKMASA-N 1 0 415.512 -0.882 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)CC1=O ZINC000487115782 1070531491 /nfs/dbraw/zinc/53/14/91/1070531491.db2.gz MXVOKBCCHVMKFW-RRFJBIMHSA-N 1 0 415.512 -0.882 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)CC1=O ZINC000487115783 1070531706 /nfs/dbraw/zinc/53/17/06/1070531706.db2.gz MXVOKBCCHVMKFW-ZNMIVQPWSA-N 1 0 415.512 -0.882 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000487127560 1070532732 /nfs/dbraw/zinc/53/27/32/1070532732.db2.gz VMDOYQNBYZGKTH-CYBMUJFWSA-N 1 0 404.471 -0.855 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000487145251 1070534042 /nfs/dbraw/zinc/53/40/42/1070534042.db2.gz BCEAYCUJMQWFBA-CYBMUJFWSA-N 1 0 404.471 -0.855 20 0 HBADRO CC(C)C(=O)N[C@@H](CO)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487156540 1070533345 /nfs/dbraw/zinc/53/33/45/1070533345.db2.gz NOFDKPKTWPORNP-HNNXBMFYSA-N 1 0 400.501 -0.402 20 0 HBADRO COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)[C@H](C)O ZINC000487162825 1070534617 /nfs/dbraw/zinc/53/46/17/1070534617.db2.gz NRKPXXXMFXYUIG-BBRMVZONSA-N 1 0 415.512 -0.123 20 0 HBADRO COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)[C@@H](C)O ZINC000487162867 1070534625 /nfs/dbraw/zinc/53/46/25/1070534625.db2.gz NRKPXXXMFXYUIG-CJNGLKHVSA-N 1 0 415.512 -0.123 20 0 HBADRO COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)[C@@H](C)O ZINC000487162869 1070534657 /nfs/dbraw/zinc/53/46/57/1070534657.db2.gz NRKPXXXMFXYUIG-CZUORRHYSA-N 1 0 415.512 -0.123 20 0 HBADRO COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)[C@H](C)O ZINC000487162873 1070534581 /nfs/dbraw/zinc/53/45/81/1070534581.db2.gz NRKPXXXMFXYUIG-XJKSGUPXSA-N 1 0 415.512 -0.123 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H](S(=O)(=O)N3CCCC3)C1)c(=O)n2C ZINC000487171756 1070534442 /nfs/dbraw/zinc/53/44/42/1070534442.db2.gz REOXOFRSZJIQDB-AWEZNQCLSA-N 1 0 424.527 -0.676 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H](S(=O)(=O)N3CCCC3)C1)c(=O)n2C ZINC000487171757 1070534661 /nfs/dbraw/zinc/53/46/61/1070534661.db2.gz REOXOFRSZJIQDB-CQSZACIVSA-N 1 0 424.527 -0.676 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487207463 1070536357 /nfs/dbraw/zinc/53/63/57/1070536357.db2.gz SGJQPLMOYGCRDO-MSOLQXFVSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487207464 1070536393 /nfs/dbraw/zinc/53/63/93/1070536393.db2.gz SGJQPLMOYGCRDO-QZTJIDSGSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487207465 1070536119 /nfs/dbraw/zinc/53/61/19/1070536119.db2.gz SGJQPLMOYGCRDO-ROUUACIJSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487207466 1070535973 /nfs/dbraw/zinc/53/59/73/1070535973.db2.gz SGJQPLMOYGCRDO-ZWKOTPCHSA-N 1 0 416.588 -0.041 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1=O ZINC000487256061 1070537766 /nfs/dbraw/zinc/53/77/66/1070537766.db2.gz FQKINKHEESOVTF-CABCVRRESA-N 1 0 405.499 -0.138 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1=O ZINC000487256062 1070537632 /nfs/dbraw/zinc/53/76/32/1070537632.db2.gz FQKINKHEESOVTF-GJZGRUSLSA-N 1 0 405.499 -0.138 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1=O ZINC000487256063 1070537276 /nfs/dbraw/zinc/53/72/76/1070537276.db2.gz FQKINKHEESOVTF-HUUCEWRRSA-N 1 0 405.499 -0.138 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1=O ZINC000487256064 1070537411 /nfs/dbraw/zinc/53/74/11/1070537411.db2.gz FQKINKHEESOVTF-LSDHHAIUSA-N 1 0 405.499 -0.138 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000487264929 1070536883 /nfs/dbraw/zinc/53/68/83/1070536883.db2.gz CERKIGCXVJDDDB-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC000487343005 1069181295 /nfs/dbraw/zinc/18/12/95/1069181295.db2.gz SWPFFBQDWBCQQL-GASCZTMLSA-N 1 0 415.537 -0.110 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000487373774 1069234381 /nfs/dbraw/zinc/23/43/81/1069234381.db2.gz IAZKLNNYFYEKMJ-FTLABTOESA-N 1 0 408.480 -0.068 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000487373776 1069234693 /nfs/dbraw/zinc/23/46/93/1069234693.db2.gz IAZKLNNYFYEKMJ-IUUKEHGRSA-N 1 0 408.480 -0.068 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)ccn2)CC1 ZINC000487430387 1071023322 /nfs/dbraw/zinc/02/33/22/1071023322.db2.gz PZJDXYAPDFWQRZ-UHFFFAOYSA-N 1 0 416.526 -0.550 20 0 HBADRO C[N@H+](CC(=O)[O-])[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000487444377 1071133462 /nfs/dbraw/zinc/13/34/62/1071133462.db2.gz ISRURPLYQVHZTE-DLBZAZTESA-N 1 0 412.531 -0.801 20 0 HBADRO C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000487444379 1071133242 /nfs/dbraw/zinc/13/32/42/1071133242.db2.gz ISRURPLYQVHZTE-IAGOWNOFSA-N 1 0 412.531 -0.801 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000487465287 1071247362 /nfs/dbraw/zinc/24/73/62/1071247362.db2.gz VWIGZDUCGKRHRP-DLBZAZTESA-N 1 0 419.592 -0.296 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000487465288 1071247769 /nfs/dbraw/zinc/24/77/69/1071247769.db2.gz VWIGZDUCGKRHRP-IAGOWNOFSA-N 1 0 419.592 -0.296 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000487465289 1071247476 /nfs/dbraw/zinc/24/74/76/1071247476.db2.gz VWIGZDUCGKRHRP-IRXDYDNUSA-N 1 0 419.592 -0.296 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000487465290 1071247432 /nfs/dbraw/zinc/24/74/32/1071247432.db2.gz VWIGZDUCGKRHRP-SJORKVTESA-N 1 0 419.592 -0.296 20 0 HBADRO CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000487471546 1071288353 /nfs/dbraw/zinc/28/83/53/1071288353.db2.gz ARWHIUAJHDFHEN-UHFFFAOYSA-N 1 0 400.545 -0.185 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cnc2n(C)c1=O ZINC000487474757 1071289735 /nfs/dbraw/zinc/28/97/35/1071289735.db2.gz HICRHKDBFWFHCC-UHFFFAOYSA-N 1 0 414.466 -0.988 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000487479331 1071292936 /nfs/dbraw/zinc/29/29/36/1071292936.db2.gz FUDPXXIEVQRBRM-CVEARBPZSA-N 1 0 405.565 -0.686 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000487479337 1071292733 /nfs/dbraw/zinc/29/27/33/1071292733.db2.gz FUDPXXIEVQRBRM-HOTGVXAUSA-N 1 0 405.565 -0.686 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000487479339 1071292889 /nfs/dbraw/zinc/29/28/89/1071292889.db2.gz FUDPXXIEVQRBRM-HZPDHXFCSA-N 1 0 405.565 -0.686 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000487479340 1071292772 /nfs/dbraw/zinc/29/27/72/1071292772.db2.gz FUDPXXIEVQRBRM-JKSUJKDBSA-N 1 0 405.565 -0.686 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000487490868 1071309443 /nfs/dbraw/zinc/30/94/43/1071309443.db2.gz ZKCKZZHDIYRHLF-CVEARBPZSA-N 1 0 406.549 -0.211 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000487490869 1071309235 /nfs/dbraw/zinc/30/92/35/1071309235.db2.gz ZKCKZZHDIYRHLF-HOTGVXAUSA-N 1 0 406.549 -0.211 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000487490871 1071309398 /nfs/dbraw/zinc/30/93/98/1071309398.db2.gz ZKCKZZHDIYRHLF-HZPDHXFCSA-N 1 0 406.549 -0.211 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000487490872 1071309297 /nfs/dbraw/zinc/30/92/97/1071309297.db2.gz ZKCKZZHDIYRHLF-JKSUJKDBSA-N 1 0 406.549 -0.211 20 0 HBADRO O=C(CCCS(=O)(=O)N1CCCC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487502285 1071316268 /nfs/dbraw/zinc/31/62/68/1071316268.db2.gz PBQKEJNOUVHNMO-UHFFFAOYSA-N 1 0 400.545 -0.041 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000487527270 1071541188 /nfs/dbraw/zinc/54/11/88/1071541188.db2.gz ZPSFSTABVBUDBF-INMHGKMJSA-N 1 0 405.503 -0.138 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000487527271 1071541102 /nfs/dbraw/zinc/54/11/02/1071541102.db2.gz ZPSFSTABVBUDBF-VYDXJSESSA-N 1 0 405.503 -0.138 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)nc2n(C)c1=O ZINC000487528847 1071543876 /nfs/dbraw/zinc/54/38/76/1071543876.db2.gz LRUKLTTUMAUGGE-UHFFFAOYSA-N 1 0 414.466 -0.988 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)nc2c(=O)[nH]c1=O ZINC000487533779 1069069768 /nfs/dbraw/zinc/06/97/68/1069069768.db2.gz WLPONBHQZQVTIF-UHFFFAOYSA-N 1 0 417.470 -0.939 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000487555548 1070539732 /nfs/dbraw/zinc/53/97/32/1070539732.db2.gz HOOLBQIDVDXEQA-INIZCTEOSA-N 1 0 400.545 -0.185 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000487555549 1070539587 /nfs/dbraw/zinc/53/95/87/1070539587.db2.gz HOOLBQIDVDXEQA-MRXNPFEDSA-N 1 0 400.545 -0.185 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)S(=O)(=O)c1cccnc1 ZINC000487564985 1070541151 /nfs/dbraw/zinc/54/11/51/1070541151.db2.gz OUPUHAZFOYOUSN-UHFFFAOYSA-N 1 0 409.512 -0.531 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CCn3cncn3)CC2)CC1=O ZINC000487572657 1070540811 /nfs/dbraw/zinc/54/08/11/1070540811.db2.gz LWJAVCRXPJQMMJ-MSOLQXFVSA-N 1 0 403.531 -0.245 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCn3cncn3)CC2)CC1=O ZINC000487572658 1070541053 /nfs/dbraw/zinc/54/10/53/1070541053.db2.gz LWJAVCRXPJQMMJ-QZTJIDSGSA-N 1 0 403.531 -0.245 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)CC1=O ZINC000487572659 1070540709 /nfs/dbraw/zinc/54/07/09/1070540709.db2.gz LWJAVCRXPJQMMJ-ROUUACIJSA-N 1 0 403.531 -0.245 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)CC1=O ZINC000487572660 1070541004 /nfs/dbraw/zinc/54/10/04/1070541004.db2.gz LWJAVCRXPJQMMJ-ZWKOTPCHSA-N 1 0 403.531 -0.245 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1OC ZINC000487591628 1070542197 /nfs/dbraw/zinc/54/21/97/1070542197.db2.gz MUAMSXFZODJBGT-UHFFFAOYSA-N 1 0 424.523 -0.017 20 0 HBADRO O=C(CNS(=O)(=O)c1cccs1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487592595 1070541586 /nfs/dbraw/zinc/54/15/86/1070541586.db2.gz OXESVXPWZOQUEW-UHFFFAOYSA-N 1 0 400.526 -0.207 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487594972 1070541674 /nfs/dbraw/zinc/54/16/74/1070541674.db2.gz VYJUKJSQZLNBPG-UHFFFAOYSA-N 1 0 409.512 -0.483 20 0 HBADRO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000487618448 1070542787 /nfs/dbraw/zinc/54/27/87/1070542787.db2.gz FNIAGALKYNQIQT-MSOLQXFVSA-N 1 0 415.542 -0.212 20 0 HBADRO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000487618449 1070542966 /nfs/dbraw/zinc/54/29/66/1070542966.db2.gz FNIAGALKYNQIQT-QZTJIDSGSA-N 1 0 415.542 -0.212 20 0 HBADRO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000487618450 1070543037 /nfs/dbraw/zinc/54/30/37/1070543037.db2.gz FNIAGALKYNQIQT-ROUUACIJSA-N 1 0 415.542 -0.212 20 0 HBADRO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000487618451 1070542673 /nfs/dbraw/zinc/54/26/73/1070542673.db2.gz FNIAGALKYNQIQT-ZWKOTPCHSA-N 1 0 415.542 -0.212 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000487619032 1070542907 /nfs/dbraw/zinc/54/29/07/1070542907.db2.gz GBNXQORBSTUFOS-CYBMUJFWSA-N 1 0 415.516 -0.522 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000487619037 1070542644 /nfs/dbraw/zinc/54/26/44/1070542644.db2.gz GBNXQORBSTUFOS-ZDUSSCGKSA-N 1 0 415.516 -0.522 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487619847 1070542587 /nfs/dbraw/zinc/54/25/87/1070542587.db2.gz IVSXKYOVGHQCDR-UHFFFAOYSA-N 1 0 410.496 -0.277 20 0 HBADRO COc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1OCC(N)=O ZINC000487647903 1070543448 /nfs/dbraw/zinc/54/34/48/1070543448.db2.gz IAKXSXQTWRRXGH-UHFFFAOYSA-N 1 0 404.467 -0.061 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cnc21 ZINC000487651789 1070543648 /nfs/dbraw/zinc/54/36/48/1070543648.db2.gz AEDVNSWZRHNDGX-UHFFFAOYSA-N 1 0 400.439 -0.586 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487667005 1070545677 /nfs/dbraw/zinc/54/56/77/1070545677.db2.gz XWEMLWJXZYRIJU-CVEARBPZSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487667007 1070545939 /nfs/dbraw/zinc/54/59/39/1070545939.db2.gz XWEMLWJXZYRIJU-HOTGVXAUSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487667009 1070545835 /nfs/dbraw/zinc/54/58/35/1070545835.db2.gz XWEMLWJXZYRIJU-HZPDHXFCSA-N 1 0 415.560 -0.217 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1 ZINC000487667012 1070545723 /nfs/dbraw/zinc/54/57/23/1070545723.db2.gz XWEMLWJXZYRIJU-JKSUJKDBSA-N 1 0 415.560 -0.217 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000487668196 1070546438 /nfs/dbraw/zinc/54/64/38/1070546438.db2.gz RLURBEKZEQWUQL-MSOLQXFVSA-N 1 0 409.531 -0.256 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000487668197 1070546295 /nfs/dbraw/zinc/54/62/95/1070546295.db2.gz RLURBEKZEQWUQL-QZTJIDSGSA-N 1 0 409.531 -0.256 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000487668198 1070546581 /nfs/dbraw/zinc/54/65/81/1070546581.db2.gz RLURBEKZEQWUQL-ROUUACIJSA-N 1 0 409.531 -0.256 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000487668199 1070546378 /nfs/dbraw/zinc/54/63/78/1070546378.db2.gz RLURBEKZEQWUQL-ZWKOTPCHSA-N 1 0 409.531 -0.256 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000487673092 1070544650 /nfs/dbraw/zinc/54/46/50/1070544650.db2.gz KZTQCDJBGLOCTF-UHFFFAOYSA-N 1 0 419.482 -0.570 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487680031 1070547497 /nfs/dbraw/zinc/54/74/97/1070547497.db2.gz TZKUGQCLTNKQIQ-CABCVRRESA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487680045 1070547742 /nfs/dbraw/zinc/54/77/42/1070547742.db2.gz TZKUGQCLTNKQIQ-GJZGRUSLSA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487680048 1070547654 /nfs/dbraw/zinc/54/76/54/1070547654.db2.gz TZKUGQCLTNKQIQ-HUUCEWRRSA-N 1 0 401.533 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487680052 1070547389 /nfs/dbraw/zinc/54/73/89/1070547389.db2.gz TZKUGQCLTNKQIQ-LSDHHAIUSA-N 1 0 401.533 -0.464 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000487684333 1070547049 /nfs/dbraw/zinc/54/70/49/1070547049.db2.gz MJFUTPUGRWUWHK-GOSISDBHSA-N 1 0 424.542 -0.442 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000487684334 1070547132 /nfs/dbraw/zinc/54/71/32/1070547132.db2.gz MJFUTPUGRWUWHK-SFHVURJKSA-N 1 0 424.542 -0.442 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)ccn2)CC1 ZINC000487713330 1070548185 /nfs/dbraw/zinc/54/81/85/1070548185.db2.gz AOHBVPSMFDJDSW-DLBZAZTESA-N 1 0 423.539 -0.939 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)ccn2)CC1 ZINC000487713351 1070548364 /nfs/dbraw/zinc/54/83/64/1070548364.db2.gz AOHBVPSMFDJDSW-IAGOWNOFSA-N 1 0 423.539 -0.939 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)ccn2)CC1 ZINC000487713354 1070548206 /nfs/dbraw/zinc/54/82/06/1070548206.db2.gz AOHBVPSMFDJDSW-IRXDYDNUSA-N 1 0 423.539 -0.939 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)ccn2)CC1 ZINC000487713357 1070548144 /nfs/dbraw/zinc/54/81/44/1070548144.db2.gz AOHBVPSMFDJDSW-SJORKVTESA-N 1 0 423.539 -0.939 20 0 HBADRO CCC(CC)(C[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)OC ZINC000487741714 1070549667 /nfs/dbraw/zinc/54/96/67/1070549667.db2.gz SYFCLHKIFQUVDD-UHFFFAOYSA-N 1 0 412.531 -0.442 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000487752268 1070550421 /nfs/dbraw/zinc/55/04/21/1070550421.db2.gz CDSYGNSVDDWCNR-OAHLLOKOSA-N 1 0 415.450 -0.319 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)OCO2 ZINC000487761473 1070550885 /nfs/dbraw/zinc/55/08/85/1070550885.db2.gz LXPYNVJGUDAXOO-CYBMUJFWSA-N 1 0 420.422 -0.404 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)OCO2 ZINC000487761474 1070550947 /nfs/dbraw/zinc/55/09/47/1070550947.db2.gz LXPYNVJGUDAXOO-ZDUSSCGKSA-N 1 0 420.422 -0.404 20 0 HBADRO CCC(CC)(C[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)OC ZINC000487768062 1070551596 /nfs/dbraw/zinc/55/15/96/1070551596.db2.gz CYOUYFAREBFAIK-HNNXBMFYSA-N 1 0 403.545 -0.113 20 0 HBADRO CCC(CC)(C[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)OC ZINC000487768063 1070551457 /nfs/dbraw/zinc/55/14/57/1070551457.db2.gz CYOUYFAREBFAIK-OAHLLOKOSA-N 1 0 403.545 -0.113 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1)OCO2 ZINC000487801372 1070552777 /nfs/dbraw/zinc/55/27/77/1070552777.db2.gz MNFBOCBIHAQKEA-GFCCVEGCSA-N 1 0 406.439 -0.108 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)OCO2 ZINC000487801373 1070552913 /nfs/dbraw/zinc/55/29/13/1070552913.db2.gz MNFBOCBIHAQKEA-LBPRGKRZSA-N 1 0 406.439 -0.108 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)OCO2 ZINC000487803857 1070552790 /nfs/dbraw/zinc/55/27/90/1070552790.db2.gz OPEVKIQYABTSOP-UHFFFAOYSA-N 1 0 407.423 -0.039 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1)OCO2 ZINC000487850025 1070553624 /nfs/dbraw/zinc/55/36/24/1070553624.db2.gz ROMLOOUFPNOHLT-UHFFFAOYSA-N 1 0 406.439 -0.106 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)CC1 ZINC000487860379 1070553515 /nfs/dbraw/zinc/55/35/15/1070553515.db2.gz QJRSGYNATJEOGK-UHFFFAOYSA-N 1 0 406.439 -0.106 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)S(C)(=O)=O ZINC000487906789 1070555476 /nfs/dbraw/zinc/55/54/76/1070555476.db2.gz AAOMWWRPUSEMFT-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)S(C)(=O)=O ZINC000487906790 1070555564 /nfs/dbraw/zinc/55/55/64/1070555564.db2.gz AAOMWWRPUSEMFT-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)S(C)(=O)=O ZINC000487906791 1070555820 /nfs/dbraw/zinc/55/58/20/1070555820.db2.gz AAOMWWRPUSEMFT-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)S(C)(=O)=O ZINC000487906792 1070555725 /nfs/dbraw/zinc/55/57/25/1070555725.db2.gz AAOMWWRPUSEMFT-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CC1)N1CCOCC1 ZINC000487909153 1069701789 /nfs/dbraw/zinc/70/17/89/1069701789.db2.gz BMLXFCVCMWOZEA-DLBZAZTESA-N 1 0 412.556 -0.804 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)CC1)N1CCOCC1 ZINC000487909159 1069701759 /nfs/dbraw/zinc/70/17/59/1069701759.db2.gz BMLXFCVCMWOZEA-IAGOWNOFSA-N 1 0 412.556 -0.804 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)CC1)N1CCOCC1 ZINC000487909164 1069701716 /nfs/dbraw/zinc/70/17/16/1069701716.db2.gz BMLXFCVCMWOZEA-IRXDYDNUSA-N 1 0 412.556 -0.804 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)CC1)N1CCOCC1 ZINC000487909167 1069701575 /nfs/dbraw/zinc/70/15/75/1069701575.db2.gz BMLXFCVCMWOZEA-SJORKVTESA-N 1 0 412.556 -0.804 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CN(S(C)(=O)=O)C3)cn2)CC1 ZINC000487909942 1070555672 /nfs/dbraw/zinc/55/56/72/1070555672.db2.gz MMZUTKQMKVTBEG-UHFFFAOYSA-N 1 0 410.544 -0.086 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000487938882 1070556525 /nfs/dbraw/zinc/55/65/25/1070556525.db2.gz JXWSUICMUJYHQZ-UHFFFAOYSA-N 1 0 409.556 -0.005 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000487942802 1070556244 /nfs/dbraw/zinc/55/62/44/1070556244.db2.gz HEALCFZWAQPMKY-AEFFLSMTSA-N 1 0 405.543 -0.306 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000487942803 1070556381 /nfs/dbraw/zinc/55/63/81/1070556381.db2.gz HEALCFZWAQPMKY-FUHWJXTLSA-N 1 0 405.543 -0.306 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000487942804 1070556500 /nfs/dbraw/zinc/55/65/00/1070556500.db2.gz HEALCFZWAQPMKY-SJLPKXTDSA-N 1 0 405.543 -0.306 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000487942805 1070556167 /nfs/dbraw/zinc/55/61/67/1070556167.db2.gz HEALCFZWAQPMKY-WMZOPIPTSA-N 1 0 405.543 -0.306 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487971816 1070557076 /nfs/dbraw/zinc/55/70/76/1070557076.db2.gz AKULYRXPGMZBPJ-UHFFFAOYSA-N 1 0 410.496 -0.135 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000488005602 1069701732 /nfs/dbraw/zinc/70/17/32/1069701732.db2.gz ZUKGLOPRFLYZBZ-XLAORIBOSA-N 1 0 407.577 -0.171 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000488005604 1069701517 /nfs/dbraw/zinc/70/15/17/1069701517.db2.gz ZUKGLOPRFLYZBZ-XMTFNYHQSA-N 1 0 407.577 -0.171 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000488005605 1069702435 /nfs/dbraw/zinc/70/24/35/1069702435.db2.gz ZUKGLOPRFLYZBZ-XWTMOSNGSA-N 1 0 407.577 -0.171 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000488005607 1069702734 /nfs/dbraw/zinc/70/27/34/1069702734.db2.gz ZUKGLOPRFLYZBZ-ZJPYXAASSA-N 1 0 407.577 -0.171 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000488038489 1070559922 /nfs/dbraw/zinc/55/99/22/1070559922.db2.gz BCEAYCUJMQWFBA-ZDUSSCGKSA-N 1 0 404.471 -0.855 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000488073096 1070561477 /nfs/dbraw/zinc/56/14/77/1070561477.db2.gz LHSFBTOAJBWJQP-ZDUSSCGKSA-N 1 0 401.467 -0.043 20 0 HBADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000488112722 1070562820 /nfs/dbraw/zinc/56/28/20/1070562820.db2.gz IFBPGZVXMNGEFI-UHFFFAOYSA-N 1 0 404.515 -0.716 20 0 HBADRO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000488114616 1070562644 /nfs/dbraw/zinc/56/26/44/1070562644.db2.gz ULMJIXNRVTWTEY-UHFFFAOYSA-N 1 0 418.498 -0.484 20 0 HBADRO C[C@@H]1CC[C@@H](N(CCO)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000488155288 1070563193 /nfs/dbraw/zinc/56/31/93/1070563193.db2.gz WSUDGFDHCMHMEM-GDBMZVCRSA-N 1 0 408.503 -0.491 20 0 HBADRO C[C@H]1CC[C@@H](N(CCO)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000488155298 1070563109 /nfs/dbraw/zinc/56/31/09/1070563109.db2.gz WSUDGFDHCMHMEM-GOEBONIOSA-N 1 0 408.503 -0.491 20 0 HBADRO C[C@H]1CC[C@H](N(CCO)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000488155305 1070563174 /nfs/dbraw/zinc/56/31/74/1070563174.db2.gz WSUDGFDHCMHMEM-HOCLYGCPSA-N 1 0 408.503 -0.491 20 0 HBADRO C[C@@H]1CC[C@H](N(CCO)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000488155308 1070563274 /nfs/dbraw/zinc/56/32/74/1070563274.db2.gz WSUDGFDHCMHMEM-ZBFHGGJFSA-N 1 0 408.503 -0.491 20 0 HBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000488190049 1070564473 /nfs/dbraw/zinc/56/44/73/1070564473.db2.gz YZIFUASSNXSLQB-FQEVSTJZSA-N 1 0 415.538 -0.041 20 0 HBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000488190051 1070564310 /nfs/dbraw/zinc/56/43/10/1070564310.db2.gz YZIFUASSNXSLQB-HXUWFJFHSA-N 1 0 415.538 -0.041 20 0 HBADRO C[C@@]1(C2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)NC(=O)NC1=O ZINC000488230382 1070565049 /nfs/dbraw/zinc/56/50/49/1070565049.db2.gz YSMVVFVJAQEVPY-IBGZPJMESA-N 1 0 401.471 -0.565 20 0 HBADRO C[C@]1(C2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)NC(=O)NC1=O ZINC000488230383 1070565163 /nfs/dbraw/zinc/56/51/63/1070565163.db2.gz YSMVVFVJAQEVPY-LJQANCHMSA-N 1 0 401.471 -0.565 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000488321753 1070568472 /nfs/dbraw/zinc/56/84/72/1070568472.db2.gz GDNRFALIGGWVRV-ZDUSSCGKSA-N 1 0 401.467 -0.043 20 0 HBADRO COC(=O)c1cn(C2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)nn1 ZINC000488323830 1070568921 /nfs/dbraw/zinc/56/89/21/1070568921.db2.gz IWRYPAYFAZVQJC-UHFFFAOYSA-N 1 0 414.470 -0.160 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)CC1 ZINC000488461041 1070571190 /nfs/dbraw/zinc/57/11/90/1070571190.db2.gz NJJQUYBWKZMYNK-UHFFFAOYSA-N 1 0 416.544 -0.199 20 0 HBADRO C[NH+]1CCC(n2ccc(=NC(=O)N=c3ccn(CC(=O)N4CCOCC4)[nH]3)[nH]2)CC1 ZINC000488504235 1070571723 /nfs/dbraw/zinc/57/17/23/1070571723.db2.gz WHOQLDNAMHZHHF-UHFFFAOYSA-N 1 0 416.486 -0.307 20 0 HBADRO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1C ZINC000488606761 1070573429 /nfs/dbraw/zinc/57/34/29/1070573429.db2.gz GYAKGVPWDBKYPS-INIZCTEOSA-N 1 0 407.519 -0.702 20 0 HBADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1C ZINC000488606771 1070573516 /nfs/dbraw/zinc/57/35/16/1070573516.db2.gz GYAKGVPWDBKYPS-MRXNPFEDSA-N 1 0 407.519 -0.702 20 0 HBADRO CO[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C[C@@H]1OC ZINC000488611574 1070574302 /nfs/dbraw/zinc/57/43/02/1070574302.db2.gz TYTRSGDCWDSQEB-HOTGVXAUSA-N 1 0 406.439 -0.033 20 0 HBADRO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C[C@H]1OC ZINC000488611579 1070574332 /nfs/dbraw/zinc/57/43/32/1070574332.db2.gz TYTRSGDCWDSQEB-HZPDHXFCSA-N 1 0 406.439 -0.033 20 0 HBADRO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C[C@@H]1OC ZINC000488611581 1070574159 /nfs/dbraw/zinc/57/41/59/1070574159.db2.gz TYTRSGDCWDSQEB-IYBDPMFKSA-N 1 0 406.439 -0.033 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000488615951 1070575238 /nfs/dbraw/zinc/57/52/38/1070575238.db2.gz BFRVWKGBFIHAKF-CABCVRRESA-N 1 0 403.549 -0.396 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000488615963 1070575209 /nfs/dbraw/zinc/57/52/09/1070575209.db2.gz BFRVWKGBFIHAKF-GJZGRUSLSA-N 1 0 403.549 -0.396 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000488615965 1070575517 /nfs/dbraw/zinc/57/55/17/1070575517.db2.gz BFRVWKGBFIHAKF-HUUCEWRRSA-N 1 0 403.549 -0.396 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000488615967 1070575385 /nfs/dbraw/zinc/57/53/85/1070575385.db2.gz BFRVWKGBFIHAKF-LSDHHAIUSA-N 1 0 403.549 -0.396 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n(C)c1 ZINC000488681755 1070578475 /nfs/dbraw/zinc/57/84/75/1070578475.db2.gz IPEATHFWSBVTBI-UHFFFAOYSA-N 1 0 411.528 -0.344 20 0 HBADRO C[C@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC[N@@H+](C2CCC2)C1 ZINC000488715073 1070579706 /nfs/dbraw/zinc/57/97/06/1070579706.db2.gz ONAHSJRLWOEYQX-CPJTVBMOSA-N 1 0 418.498 -0.252 20 0 HBADRO C[C@@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC[N@@H+](C2CCC2)C1 ZINC000488715074 1070579523 /nfs/dbraw/zinc/57/95/23/1070579523.db2.gz ONAHSJRLWOEYQX-SQIXAUHQSA-N 1 0 418.498 -0.252 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C(N)=O ZINC000488720482 1070579874 /nfs/dbraw/zinc/57/98/74/1070579874.db2.gz ADTMFIBHWBCZOQ-UHFFFAOYSA-N 1 0 410.496 -0.277 20 0 HBADRO Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2n(C)c1=O ZINC000488721421 1070579635 /nfs/dbraw/zinc/57/96/35/1070579635.db2.gz CLJDVUIJNVYLKR-UHFFFAOYSA-N 1 0 421.523 -0.194 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000488722306 1070579669 /nfs/dbraw/zinc/57/96/69/1070579669.db2.gz GGXFYMLHSCMLSL-UHFFFAOYSA-N 1 0 402.517 -0.644 20 0 HBADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2C1=O ZINC000488722460 1070579766 /nfs/dbraw/zinc/57/97/66/1070579766.db2.gz HBBSVPJBANXJCL-UHFFFAOYSA-N 1 0 420.491 -0.159 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000488723356 1070579822 /nfs/dbraw/zinc/57/98/22/1070579822.db2.gz JCYMYHZMQZNRSB-UHFFFAOYSA-N 1 0 421.479 -0.030 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000488723931 1070579926 /nfs/dbraw/zinc/57/99/26/1070579926.db2.gz KHLPQXMYTPBCSF-UHFFFAOYSA-N 1 0 421.479 -0.855 20 0 HBADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)C1 ZINC000488724063 1070579792 /nfs/dbraw/zinc/57/97/92/1070579792.db2.gz XQALJOIYNPFZMZ-AKFWKBCCSA-N 1 0 418.498 -0.396 20 0 HBADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)C1 ZINC000488724079 1070579848 /nfs/dbraw/zinc/57/98/48/1070579848.db2.gz XQALJOIYNPFZMZ-HEJOAOGCSA-N 1 0 418.498 -0.396 20 0 HBADRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)C1 ZINC000488724083 1070579900 /nfs/dbraw/zinc/57/99/00/1070579900.db2.gz XQALJOIYNPFZMZ-QIPRDTBDSA-N 1 0 418.498 -0.396 20 0 HBADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)C1 ZINC000488724086 1070579605 /nfs/dbraw/zinc/57/96/05/1070579605.db2.gz XQALJOIYNPFZMZ-UPNUMBIASA-N 1 0 418.498 -0.396 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000488725957 1070579056 /nfs/dbraw/zinc/57/90/56/1070579056.db2.gz OEPMIMNQDGZNOV-HNNXBMFYSA-N 1 0 402.517 -0.501 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000488725959 1070579203 /nfs/dbraw/zinc/57/92/03/1070579203.db2.gz OEPMIMNQDGZNOV-OAHLLOKOSA-N 1 0 402.517 -0.501 20 0 HBADRO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000488727724 1070579965 /nfs/dbraw/zinc/57/99/65/1070579965.db2.gz RIBWWAIVTLSHDT-UHFFFAOYSA-N 1 0 416.525 -0.737 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000488728743 1070580452 /nfs/dbraw/zinc/58/04/52/1070580452.db2.gz TZVFYAGYZDCFHC-UHFFFAOYSA-N 1 0 416.544 -0.254 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000488732102 1070580323 /nfs/dbraw/zinc/58/03/23/1070580323.db2.gz ZJZHMEMMYPNBOY-UHFFFAOYSA-N 1 0 405.484 -0.409 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488735241 1070580568 /nfs/dbraw/zinc/58/05/68/1070580568.db2.gz SFZZWWWLUJXURL-KBPBESRZSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488735242 1070580659 /nfs/dbraw/zinc/58/06/59/1070580659.db2.gz SFZZWWWLUJXURL-KGLIPLIRSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488735243 1070580375 /nfs/dbraw/zinc/58/03/75/1070580375.db2.gz SFZZWWWLUJXURL-UONOGXRCSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488735244 1070580516 /nfs/dbraw/zinc/58/05/16/1070580516.db2.gz SFZZWWWLUJXURL-ZIAGYGMSSA-N 1 0 411.503 -0.131 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488742721 1070580422 /nfs/dbraw/zinc/58/04/22/1070580422.db2.gz GHEWPODUDGRQEH-DZGCQCFKSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC000488742723 1070580594 /nfs/dbraw/zinc/58/05/94/1070580594.db2.gz GHEWPODUDGRQEH-HIFRSBDPSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488742726 1070580485 /nfs/dbraw/zinc/58/04/85/1070580485.db2.gz GHEWPODUDGRQEH-UKRRQHHQSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000488742727 1070580622 /nfs/dbraw/zinc/58/06/22/1070580622.db2.gz GHEWPODUDGRQEH-ZFWWWQNUSA-N 1 0 400.501 -0.173 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000488767038 1070581769 /nfs/dbraw/zinc/58/17/69/1070581769.db2.gz YQDMMOSTQZVTHC-UHFFFAOYSA-N 1 0 405.484 -0.409 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c(=O)n(C)c1=O ZINC000488776830 1070581906 /nfs/dbraw/zinc/58/19/06/1070581906.db2.gz AVXMVOHKYCDGNQ-AWEZNQCLSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)c2c(=O)n(C)c1=O ZINC000488776831 1070581812 /nfs/dbraw/zinc/58/18/12/1070581812.db2.gz AVXMVOHKYCDGNQ-CQSZACIVSA-N 1 0 404.471 -0.996 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488780312 1070582263 /nfs/dbraw/zinc/58/22/63/1070582263.db2.gz WFDVCSARNLOASH-HNNXBMFYSA-N 1 0 404.533 -0.999 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488780313 1070582347 /nfs/dbraw/zinc/58/23/47/1070582347.db2.gz WFDVCSARNLOASH-OAHLLOKOSA-N 1 0 404.533 -0.999 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000488790596 1070582718 /nfs/dbraw/zinc/58/27/18/1070582718.db2.gz JGYOOEBNDHRSHP-UHFFFAOYSA-N 1 0 410.496 -0.107 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(=O)n(C)c1=O ZINC000488792084 1070582824 /nfs/dbraw/zinc/58/28/24/1070582824.db2.gz MZLPNYGWVBLSSY-INIZCTEOSA-N 1 0 406.508 -0.073 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(=O)n(C)c1=O ZINC000488792089 1070582898 /nfs/dbraw/zinc/58/28/98/1070582898.db2.gz MZLPNYGWVBLSSY-MRXNPFEDSA-N 1 0 406.508 -0.073 20 0 HBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488809716 1070583285 /nfs/dbraw/zinc/58/32/85/1070583285.db2.gz ONRSLSWZZCQJHV-HNNXBMFYSA-N 1 0 412.512 -0.170 20 0 HBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488809718 1070583486 /nfs/dbraw/zinc/58/34/86/1070583486.db2.gz ONRSLSWZZCQJHV-OAHLLOKOSA-N 1 0 412.512 -0.170 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488811746 1070583325 /nfs/dbraw/zinc/58/33/25/1070583325.db2.gz CQPRPUYBPKEDSC-CYBMUJFWSA-N 1 0 424.479 -0.577 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488811750 1070583576 /nfs/dbraw/zinc/58/35/76/1070583576.db2.gz CQPRPUYBPKEDSC-ZDUSSCGKSA-N 1 0 424.479 -0.577 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000488828228 1070583944 /nfs/dbraw/zinc/58/39/44/1070583944.db2.gz DRFHZGMZYSADOD-AWEZNQCLSA-N 1 0 403.483 -0.250 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488836379 1070584152 /nfs/dbraw/zinc/58/41/52/1070584152.db2.gz JBNDSNJBIPKHPR-LLVKDONJSA-N 1 0 401.261 -0.108 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488836387 1070584280 /nfs/dbraw/zinc/58/42/80/1070584280.db2.gz JBNDSNJBIPKHPR-NSHDSACASA-N 1 0 401.261 -0.108 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488840236 1070584206 /nfs/dbraw/zinc/58/42/06/1070584206.db2.gz GXROAHFTMGHILX-MOPGFXCFSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488840238 1070584107 /nfs/dbraw/zinc/58/41/07/1070584107.db2.gz GXROAHFTMGHILX-OALUTQOASA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488840240 1070584033 /nfs/dbraw/zinc/58/40/33/1070584033.db2.gz GXROAHFTMGHILX-RBUKOAKNSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488840243 1070583871 /nfs/dbraw/zinc/58/38/71/1070583871.db2.gz GXROAHFTMGHILX-RTBURBONSA-N 1 0 408.543 -0.120 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000488844801 1070584073 /nfs/dbraw/zinc/58/40/73/1070584073.db2.gz VMDOYQNBYZGKTH-ZDUSSCGKSA-N 1 0 404.471 -0.855 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1=O ZINC000488854682 1070584917 /nfs/dbraw/zinc/58/49/17/1070584917.db2.gz NPTOBTQIOWBNRX-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1=O ZINC000488854684 1070584752 /nfs/dbraw/zinc/58/47/52/1070584752.db2.gz NPTOBTQIOWBNRX-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1=O ZINC000488854686 1070584881 /nfs/dbraw/zinc/58/48/81/1070584881.db2.gz NPTOBTQIOWBNRX-OAGGEKHMSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1=O ZINC000488854689 1070584804 /nfs/dbraw/zinc/58/48/04/1070584804.db2.gz NPTOBTQIOWBNRX-XHSDSOJGSA-N 1 0 400.545 -0.141 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488856521 1070585312 /nfs/dbraw/zinc/58/53/12/1070585312.db2.gz AFYUJXPTPMKOJW-GDBMZVCRSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488856523 1070585432 /nfs/dbraw/zinc/58/54/32/1070585432.db2.gz AFYUJXPTPMKOJW-GOEBONIOSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488856524 1070585405 /nfs/dbraw/zinc/58/54/05/1070585405.db2.gz AFYUJXPTPMKOJW-HOCLYGCPSA-N 1 0 413.544 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488856526 1070585338 /nfs/dbraw/zinc/58/53/38/1070585338.db2.gz AFYUJXPTPMKOJW-ZBFHGGJFSA-N 1 0 413.544 -0.116 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(S(N)(=O)=O)nc2)cc1 ZINC000488861855 1070585185 /nfs/dbraw/zinc/58/51/85/1070585185.db2.gz SMVATCAONCRHGQ-UHFFFAOYSA-N 1 0 405.480 -0.050 20 0 HBADRO NS(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000488866132 1070584718 /nfs/dbraw/zinc/58/47/18/1070584718.db2.gz ZXEMOZPBQDYZCD-UHFFFAOYSA-N 1 0 419.511 -0.149 20 0 HBADRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000488867417 1070585787 /nfs/dbraw/zinc/58/57/87/1070585787.db2.gz HSHMMDQADYPSGJ-AWEZNQCLSA-N 1 0 401.467 -0.265 20 0 HBADRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000488867426 1070585982 /nfs/dbraw/zinc/58/59/82/1070585982.db2.gz HSHMMDQADYPSGJ-CQSZACIVSA-N 1 0 401.467 -0.265 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000488876482 1070586580 /nfs/dbraw/zinc/58/65/80/1070586580.db2.gz GDNRFALIGGWVRV-CYBMUJFWSA-N 1 0 401.467 -0.043 20 0 HBADRO C[NH+](C)C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 ZINC000488900490 1070587301 /nfs/dbraw/zinc/58/73/01/1070587301.db2.gz JVHOMLNWHKGJLO-HNNXBMFYSA-N 1 0 411.459 -0.050 20 0 HBADRO C[NH+](C)C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 ZINC000488900491 1070587394 /nfs/dbraw/zinc/58/73/94/1070587394.db2.gz JVHOMLNWHKGJLO-OAHLLOKOSA-N 1 0 411.459 -0.050 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000488913812 1070587333 /nfs/dbraw/zinc/58/73/33/1070587333.db2.gz DUQCJWOEQAWDOJ-BBRMVZONSA-N 1 0 409.512 -0.572 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000488913813 1070587415 /nfs/dbraw/zinc/58/74/15/1070587415.db2.gz DUQCJWOEQAWDOJ-CJNGLKHVSA-N 1 0 409.512 -0.572 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000488913815 1070587198 /nfs/dbraw/zinc/58/71/98/1070587198.db2.gz DUQCJWOEQAWDOJ-CZUORRHYSA-N 1 0 409.512 -0.572 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000488913816 1070587358 /nfs/dbraw/zinc/58/73/58/1070587358.db2.gz DUQCJWOEQAWDOJ-XJKSGUPXSA-N 1 0 409.512 -0.572 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000488945087 1070588613 /nfs/dbraw/zinc/58/86/13/1070588613.db2.gz PGAPXQFGIGDELI-UHFFFAOYSA-N 1 0 411.528 -0.331 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000488954892 1070176524 /nfs/dbraw/zinc/17/65/24/1070176524.db2.gz XNVDWMIKARQIDR-HNNXBMFYSA-N 1 0 403.549 -0.396 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000488954894 1070176640 /nfs/dbraw/zinc/17/66/40/1070176640.db2.gz XNVDWMIKARQIDR-OAHLLOKOSA-N 1 0 403.549 -0.396 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)C1 ZINC000488967104 1070588434 /nfs/dbraw/zinc/58/84/34/1070588434.db2.gz DPPTYXSXARBNPA-INIZCTEOSA-N 1 0 405.499 -0.230 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)C1 ZINC000488967618 1070589224 /nfs/dbraw/zinc/58/92/24/1070589224.db2.gz DPPTYXSXARBNPA-MRXNPFEDSA-N 1 0 405.499 -0.230 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000488993907 1070589732 /nfs/dbraw/zinc/58/97/32/1070589732.db2.gz PIMPDRXLCZUMKR-HNNXBMFYSA-N 1 0 413.544 -0.052 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000488993925 1070589670 /nfs/dbraw/zinc/58/96/70/1070589670.db2.gz PIMPDRXLCZUMKR-OAHLLOKOSA-N 1 0 413.544 -0.052 20 0 HBADRO NC(=O)c1cnn2c1nccc2C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000489004987 1070590326 /nfs/dbraw/zinc/59/03/26/1070590326.db2.gz XLECNYFGWRSSQO-UHFFFAOYSA-N 1 0 423.481 -0.050 20 0 HBADRO NC(=O)COc1ccc(CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000489094020 1070592193 /nfs/dbraw/zinc/59/21/93/1070592193.db2.gz KOIMLPFQZFLEMB-UHFFFAOYSA-N 1 0 417.510 -0.593 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000489103727 1070592253 /nfs/dbraw/zinc/59/22/53/1070592253.db2.gz PILVFHHWWVJXJE-UHFFFAOYSA-N 1 0 401.515 -0.635 20 0 HBADRO CNC(=O)[C@@H](NC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000489107177 1070592909 /nfs/dbraw/zinc/59/29/09/1070592909.db2.gz YCOAXSYYAPEGIW-FQEVSTJZSA-N 1 0 401.511 -0.170 20 0 HBADRO CNC(=O)[C@H](NC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000489107178 1070592727 /nfs/dbraw/zinc/59/27/27/1070592727.db2.gz YCOAXSYYAPEGIW-HXUWFJFHSA-N 1 0 401.511 -0.170 20 0 HBADRO O=C(CCN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000489121453 1070594182 /nfs/dbraw/zinc/59/41/82/1070594182.db2.gz HIQWSJPAFHOTBI-UHFFFAOYSA-N 1 0 415.542 -0.245 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489122541 1070593327 /nfs/dbraw/zinc/59/33/27/1070593327.db2.gz OJCCZSYUKFXYRN-GOSISDBHSA-N 1 0 415.542 -0.246 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489122542 1070593483 /nfs/dbraw/zinc/59/34/83/1070593483.db2.gz OJCCZSYUKFXYRN-SFHVURJKSA-N 1 0 415.542 -0.246 20 0 HBADRO CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000489122554 1070593616 /nfs/dbraw/zinc/59/36/16/1070593616.db2.gz ONMSOAGIFKKVFC-UHFFFAOYSA-N 1 0 422.551 -0.054 20 0 HBADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489125744 1070593677 /nfs/dbraw/zinc/59/36/77/1070593677.db2.gz GSZROKAABRCSTB-HNNXBMFYSA-N 1 0 423.539 -0.099 20 0 HBADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489125745 1070593533 /nfs/dbraw/zinc/59/35/33/1070593533.db2.gz GSZROKAABRCSTB-OAHLLOKOSA-N 1 0 423.539 -0.099 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)C[NH+]3CCCC3)CC1)c(=O)n2C ZINC000489126340 1070593445 /nfs/dbraw/zinc/59/34/45/1070593445.db2.gz HZPKNEBMJANHMC-UHFFFAOYSA-N 1 0 417.514 -0.936 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000489133807 1070594799 /nfs/dbraw/zinc/59/47/99/1070594799.db2.gz WQLDGPGUPUSOBO-UHFFFAOYSA-N 1 0 409.512 -0.488 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000489137387 1070594657 /nfs/dbraw/zinc/59/46/57/1070594657.db2.gz JEGMJHOUCLYTPW-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000489137390 1070594840 /nfs/dbraw/zinc/59/48/40/1070594840.db2.gz JEGMJHOUCLYTPW-GJZGRUSLSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000489137393 1070594726 /nfs/dbraw/zinc/59/47/26/1070594726.db2.gz JEGMJHOUCLYTPW-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000489137395 1070594907 /nfs/dbraw/zinc/59/49/07/1070594907.db2.gz JEGMJHOUCLYTPW-LSDHHAIUSA-N 1 0 403.549 -0.348 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000489142362 1069691989 /nfs/dbraw/zinc/69/19/89/1069691989.db2.gz RZOLKHRXZORZHC-HNNXBMFYSA-N 1 0 400.487 -0.369 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000489142366 1070594267 /nfs/dbraw/zinc/59/42/67/1070594267.db2.gz RZOLKHRXZORZHC-OAHLLOKOSA-N 1 0 400.487 -0.369 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000489144501 1070594113 /nfs/dbraw/zinc/59/41/13/1070594113.db2.gz XZQSFZIHSCTTEU-HNNXBMFYSA-N 1 0 423.495 -0.963 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000489144506 1070594020 /nfs/dbraw/zinc/59/40/20/1070594020.db2.gz XZQSFZIHSCTTEU-OAHLLOKOSA-N 1 0 423.495 -0.963 20 0 HBADRO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489145629 1070594087 /nfs/dbraw/zinc/59/40/87/1070594087.db2.gz DNBNXSCFIZVQSJ-CVEARBPZSA-N 1 0 400.545 -0.740 20 0 HBADRO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489145630 1070594144 /nfs/dbraw/zinc/59/41/44/1070594144.db2.gz DNBNXSCFIZVQSJ-HOTGVXAUSA-N 1 0 400.545 -0.740 20 0 HBADRO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489145631 1070594876 /nfs/dbraw/zinc/59/48/76/1070594876.db2.gz DNBNXSCFIZVQSJ-HZPDHXFCSA-N 1 0 400.545 -0.740 20 0 HBADRO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489145632 1070594935 /nfs/dbraw/zinc/59/49/35/1070594935.db2.gz DNBNXSCFIZVQSJ-JKSUJKDBSA-N 1 0 400.545 -0.740 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000489147067 1070594695 /nfs/dbraw/zinc/59/46/95/1070594695.db2.gz IVFAXTHZRJEVTF-UHFFFAOYSA-N 1 0 409.512 -0.488 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000489152700 1070596116 /nfs/dbraw/zinc/59/61/16/1070596116.db2.gz CLFVUOQOCIKDET-UHFFFAOYSA-N 1 0 423.539 -0.097 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000489153137 1070595996 /nfs/dbraw/zinc/59/59/96/1070595996.db2.gz DQPLROITLBMBJH-UHFFFAOYSA-N 1 0 417.510 -0.196 20 0 HBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489158926 1070595396 /nfs/dbraw/zinc/59/53/96/1070595396.db2.gz UCAGAXOIFIUHNF-HNNXBMFYSA-N 1 0 423.539 -0.099 20 0 HBADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489158928 1070595628 /nfs/dbraw/zinc/59/56/28/1070595628.db2.gz UCAGAXOIFIUHNF-OAHLLOKOSA-N 1 0 423.539 -0.099 20 0 HBADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)C1 ZINC000489159780 1070595340 /nfs/dbraw/zinc/59/53/40/1070595340.db2.gz QOSJQCWCVHEGBD-GOSISDBHSA-N 1 0 415.560 -0.235 20 0 HBADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)C1 ZINC000489159782 1070595462 /nfs/dbraw/zinc/59/54/62/1070595462.db2.gz QOSJQCWCVHEGBD-SFHVURJKSA-N 1 0 415.560 -0.235 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(C)C ZINC000489161635 1070595362 /nfs/dbraw/zinc/59/53/62/1070595362.db2.gz PVMLXGLEEXVWHX-HKUYNNGSSA-N 1 0 418.494 -0.143 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C(C)C ZINC000489161636 1070595250 /nfs/dbraw/zinc/59/52/50/1070595250.db2.gz PVMLXGLEEXVWHX-MJGOQNOKSA-N 1 0 418.494 -0.143 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C ZINC000489164420 1070595942 /nfs/dbraw/zinc/59/59/42/1070595942.db2.gz DAUUZKXUCLSERE-HNNXBMFYSA-N 1 0 415.516 -0.515 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000489168795 1070596350 /nfs/dbraw/zinc/59/63/50/1070596350.db2.gz DZZMDYHOKKCOPV-INIZCTEOSA-N 1 0 400.545 -0.738 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000489168796 1070596299 /nfs/dbraw/zinc/59/62/99/1070596299.db2.gz DZZMDYHOKKCOPV-MRXNPFEDSA-N 1 0 400.545 -0.738 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1S(N)(=O)=O ZINC000489171534 1070596018 /nfs/dbraw/zinc/59/60/18/1070596018.db2.gz OPRAWFSXHFGEAI-UHFFFAOYSA-N 1 0 423.539 -0.179 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000489204617 1070597507 /nfs/dbraw/zinc/59/75/07/1070597507.db2.gz KVGKQLRZXWZIDE-KRWDZBQOSA-N 1 0 404.577 -0.087 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000489204622 1070597435 /nfs/dbraw/zinc/59/74/35/1070597435.db2.gz KVGKQLRZXWZIDE-QGZVFWFLSA-N 1 0 404.577 -0.087 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489218907 1070597850 /nfs/dbraw/zinc/59/78/50/1070597850.db2.gz NQQBXXBTNJRMBY-GOSISDBHSA-N 1 0 412.512 -0.029 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489218908 1070598312 /nfs/dbraw/zinc/59/83/12/1070598312.db2.gz NQQBXXBTNJRMBY-SFHVURJKSA-N 1 0 412.512 -0.029 20 0 HBADRO C[N@H+](CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1CCSC1 ZINC000489222393 1070597801 /nfs/dbraw/zinc/59/78/01/1070597801.db2.gz LDRCVCVYVZOHRC-HNNXBMFYSA-N 1 0 406.574 -0.419 20 0 HBADRO C[N@H+](CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000489222395 1070598199 /nfs/dbraw/zinc/59/81/99/1070598199.db2.gz LDRCVCVYVZOHRC-OAHLLOKOSA-N 1 0 406.574 -0.419 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000489232778 1070599826 /nfs/dbraw/zinc/59/98/26/1070599826.db2.gz NIKRBHJYCAHRCI-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000489232779 1070599902 /nfs/dbraw/zinc/59/99/02/1070599902.db2.gz NIKRBHJYCAHRCI-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489233980 1070599707 /nfs/dbraw/zinc/59/97/07/1070599707.db2.gz AOAPNOZYVWHZPF-HNNXBMFYSA-N 1 0 406.574 -0.271 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489233981 1070599924 /nfs/dbraw/zinc/59/99/24/1070599924.db2.gz AOAPNOZYVWHZPF-OAHLLOKOSA-N 1 0 406.574 -0.271 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489252967 1070600551 /nfs/dbraw/zinc/60/05/51/1070600551.db2.gz MWEWEPWNIPMZSM-GOSISDBHSA-N 1 0 403.531 -0.038 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489252969 1070600620 /nfs/dbraw/zinc/60/06/20/1070600620.db2.gz MWEWEPWNIPMZSM-SFHVURJKSA-N 1 0 403.531 -0.038 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294224 1070602853 /nfs/dbraw/zinc/60/28/53/1070602853.db2.gz RATXHEBAGOWATI-CALCHBBNSA-N 1 0 424.633 -0.101 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294240 1070602984 /nfs/dbraw/zinc/60/29/84/1070602984.db2.gz RATXHEBAGOWATI-IAGOWNOFSA-N 1 0 424.633 -0.101 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000489294243 1070603123 /nfs/dbraw/zinc/60/31/23/1070603123.db2.gz RATXHEBAGOWATI-IRXDYDNUSA-N 1 0 424.633 -0.101 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000489369374 1070606410 /nfs/dbraw/zinc/60/64/10/1070606410.db2.gz NXFCKZJQHBRGLR-KRWDZBQOSA-N 1 0 401.577 -0.113 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000489369375 1070606176 /nfs/dbraw/zinc/60/61/76/1070606176.db2.gz NXFCKZJQHBRGLR-QGZVFWFLSA-N 1 0 401.577 -0.113 20 0 HBADRO COC(=O)c1cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cnc1C ZINC000489447943 1070611655 /nfs/dbraw/zinc/61/16/55/1070611655.db2.gz JKAULDVSUOSHRG-UHFFFAOYSA-N 1 0 414.528 -0.155 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000489480818 1070612682 /nfs/dbraw/zinc/61/26/82/1070612682.db2.gz MHMQNJDDGMTTJJ-UHFFFAOYSA-N 1 0 403.549 -0.537 20 0 HBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000489576188 1070618170 /nfs/dbraw/zinc/61/81/70/1070618170.db2.gz CMWOSMQYLZIAND-KRWDZBQOSA-N 1 0 401.515 -0.648 20 0 HBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000489576193 1070617965 /nfs/dbraw/zinc/61/79/65/1070617965.db2.gz CMWOSMQYLZIAND-QGZVFWFLSA-N 1 0 401.515 -0.648 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489634014 1070623411 /nfs/dbraw/zinc/62/34/11/1070623411.db2.gz SPEZATULXNUQKF-DLBZAZTESA-N 1 0 418.560 -0.161 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489634016 1070623448 /nfs/dbraw/zinc/62/34/48/1070623448.db2.gz SPEZATULXNUQKF-IAGOWNOFSA-N 1 0 418.560 -0.161 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489634018 1070623515 /nfs/dbraw/zinc/62/35/15/1070623515.db2.gz SPEZATULXNUQKF-IRXDYDNUSA-N 1 0 418.560 -0.161 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489634019 1070623394 /nfs/dbraw/zinc/62/33/94/1070623394.db2.gz SPEZATULXNUQKF-SJORKVTESA-N 1 0 418.560 -0.161 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)n(C)c1 ZINC000489649891 1070624216 /nfs/dbraw/zinc/62/42/16/1070624216.db2.gz PEKQXYQLJQWEOE-UHFFFAOYSA-N 1 0 415.560 -0.605 20 0 HBADRO CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000489742379 1070626365 /nfs/dbraw/zinc/62/63/65/1070626365.db2.gz NGQFGSDKEMAZFU-FQEVSTJZSA-N 1 0 422.530 -0.244 20 0 HBADRO CC(C)[C@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000489742380 1070626413 /nfs/dbraw/zinc/62/64/13/1070626413.db2.gz NGQFGSDKEMAZFU-HXUWFJFHSA-N 1 0 422.530 -0.244 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000489785196 1070627176 /nfs/dbraw/zinc/62/71/76/1070627176.db2.gz YLIVBSUJBJNUBP-CVEARBPZSA-N 1 0 403.549 -0.237 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000489785197 1070627283 /nfs/dbraw/zinc/62/72/83/1070627283.db2.gz YLIVBSUJBJNUBP-HOTGVXAUSA-N 1 0 403.549 -0.237 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000489785198 1070627138 /nfs/dbraw/zinc/62/71/38/1070627138.db2.gz YLIVBSUJBJNUBP-HZPDHXFCSA-N 1 0 403.549 -0.237 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000489785199 1070627229 /nfs/dbraw/zinc/62/72/29/1070627229.db2.gz YLIVBSUJBJNUBP-JKSUJKDBSA-N 1 0 403.549 -0.237 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000489799728 1070992738 /nfs/dbraw/zinc/99/27/38/1070992738.db2.gz VSJILQOQVODTHW-DLBZAZTESA-N 1 0 416.592 -0.321 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000489799732 1070992652 /nfs/dbraw/zinc/99/26/52/1070992652.db2.gz VSJILQOQVODTHW-IAGOWNOFSA-N 1 0 416.592 -0.321 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000489799734 1070992499 /nfs/dbraw/zinc/99/24/99/1070992499.db2.gz VSJILQOQVODTHW-IRXDYDNUSA-N 1 0 416.592 -0.321 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000489799736 1070992788 /nfs/dbraw/zinc/99/27/88/1070992788.db2.gz VSJILQOQVODTHW-SJORKVTESA-N 1 0 416.592 -0.321 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)N(CCO)CCN1CCOCC1 ZINC000489870312 1069712899 /nfs/dbraw/zinc/71/28/99/1069712899.db2.gz JMUHBKXKGFPACY-UHFFFAOYSA-N 1 0 421.546 -0.675 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000489906501 1070629723 /nfs/dbraw/zinc/62/97/23/1070629723.db2.gz LOOVSMXIXXUTST-UHFFFAOYSA-N 1 0 404.515 -0.646 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)C1 ZINC000489932831 1070629548 /nfs/dbraw/zinc/62/95/48/1070629548.db2.gz OSJXXJGELRPKPJ-AWEZNQCLSA-N 1 0 420.495 -0.134 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)C1 ZINC000489932832 1070629634 /nfs/dbraw/zinc/62/96/34/1070629634.db2.gz OSJXXJGELRPKPJ-CQSZACIVSA-N 1 0 420.495 -0.134 20 0 HBADRO COC(=O)[C@@H](O)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000489962265 1070630295 /nfs/dbraw/zinc/63/02/95/1070630295.db2.gz BLXWTSFVHGRKQT-HNNXBMFYSA-N 1 0 401.485 -0.511 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCOCC1 ZINC000490002756 1070631137 /nfs/dbraw/zinc/63/11/37/1070631137.db2.gz YOCSCFNQIKMLFW-UHFFFAOYSA-N 1 0 412.531 -0.253 20 0 HBADRO Cn1c2ncn(CCC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)c2c(=O)n(C)c1=O ZINC000490025172 1070632050 /nfs/dbraw/zinc/63/20/50/1070632050.db2.gz IWBZRTCBOYWAGO-UHFFFAOYSA-N 1 0 414.470 -0.074 20 0 HBADRO C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000490035590 1070633012 /nfs/dbraw/zinc/63/30/12/1070633012.db2.gz PKAXIFQQQHYHTO-GFCCVEGCSA-N 1 0 401.427 -0.109 20 0 HBADRO C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000490035592 1070632812 /nfs/dbraw/zinc/63/28/12/1070632812.db2.gz PKAXIFQQQHYHTO-LBPRGKRZSA-N 1 0 401.427 -0.109 20 0 HBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000490042698 1070633804 /nfs/dbraw/zinc/63/38/04/1070633804.db2.gz JAUSZIGHNVLNSG-UHFFFAOYSA-N 1 0 414.470 -0.913 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000490052616 1070636385 /nfs/dbraw/zinc/63/63/85/1070636385.db2.gz ZXQHNDOWSVPXOE-UHFFFAOYSA-N 1 0 400.443 -0.956 20 0 HBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000490052799 1070636251 /nfs/dbraw/zinc/63/62/51/1070636251.db2.gz GXYIBDGRAQXSBB-UHFFFAOYSA-N 1 0 414.470 -0.647 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000490116856 1070642496 /nfs/dbraw/zinc/64/24/96/1070642496.db2.gz ASCVCBKXZWHNCX-AWEZNQCLSA-N 1 0 407.562 -0.284 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000490116857 1070642344 /nfs/dbraw/zinc/64/23/44/1070642344.db2.gz ASCVCBKXZWHNCX-CQSZACIVSA-N 1 0 407.562 -0.284 20 0 HBADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C(=O)NC(CO)CO ZINC000490132638 1070644048 /nfs/dbraw/zinc/64/40/48/1070644048.db2.gz KEOOYLRTYIIIJY-UHFFFAOYSA-N 1 0 413.478 -0.188 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)cc1 ZINC000490151047 1070641560 /nfs/dbraw/zinc/64/15/60/1070641560.db2.gz PKUNWBHTISRCBU-UHFFFAOYSA-N 1 0 418.541 -0.063 20 0 HBADRO Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1C(N)=O ZINC000490172630 1070645634 /nfs/dbraw/zinc/64/56/34/1070645634.db2.gz PHPMZWPHWFSMLP-GFCCVEGCSA-N 1 0 406.530 -0.747 20 0 HBADRO Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1C(N)=O ZINC000490172631 1070645505 /nfs/dbraw/zinc/64/55/05/1070645505.db2.gz PHPMZWPHWFSMLP-LBPRGKRZSA-N 1 0 406.530 -0.747 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000490241886 1070648825 /nfs/dbraw/zinc/64/88/25/1070648825.db2.gz IAUCKGMONFDUPU-CVEARBPZSA-N 1 0 418.560 -0.705 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000490241894 1070648668 /nfs/dbraw/zinc/64/86/68/1070648668.db2.gz IAUCKGMONFDUPU-HOTGVXAUSA-N 1 0 418.560 -0.705 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000490241896 1070648871 /nfs/dbraw/zinc/64/88/71/1070648871.db2.gz IAUCKGMONFDUPU-HZPDHXFCSA-N 1 0 418.560 -0.705 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000490241898 1070648848 /nfs/dbraw/zinc/64/88/48/1070648848.db2.gz IAUCKGMONFDUPU-JKSUJKDBSA-N 1 0 418.560 -0.705 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@H]2C1 ZINC000490245297 1070648614 /nfs/dbraw/zinc/64/86/14/1070648614.db2.gz PRTOVCICPPCJPY-PBHICJAKSA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@@H]2C1 ZINC000490245298 1070648878 /nfs/dbraw/zinc/64/88/78/1070648878.db2.gz PRTOVCICPPCJPY-RHSMWYFYSA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@@H]2C1 ZINC000490245299 1070648783 /nfs/dbraw/zinc/64/87/83/1070648783.db2.gz PRTOVCICPPCJPY-WMLDXEAASA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@H]2C1 ZINC000490245300 1070648730 /nfs/dbraw/zinc/64/87/30/1070648730.db2.gz PRTOVCICPPCJPY-YOEHRIQHSA-N 1 0 406.508 -0.027 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc(F)cc2)cn1 ZINC000490265534 1070649527 /nfs/dbraw/zinc/64/95/27/1070649527.db2.gz AKCRGTCLNGEZQU-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000490267264 1070650329 /nfs/dbraw/zinc/65/03/29/1070650329.db2.gz DUECGXHVMRWJOQ-UHFFFAOYSA-N 1 0 402.455 -0.176 20 0 HBADRO COc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490274086 1070651186 /nfs/dbraw/zinc/65/11/86/1070651186.db2.gz RQEPLQAMLCYCNE-UHFFFAOYSA-N 1 0 402.455 -0.176 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000490280176 1070651760 /nfs/dbraw/zinc/65/17/60/1070651760.db2.gz WGWRLHISVZJVLD-UHFFFAOYSA-N 1 0 416.438 -0.456 20 0 HBADRO COc1cccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000490281342 1070652864 /nfs/dbraw/zinc/65/28/64/1070652864.db2.gz DOKUMPQSQVHXMX-UHFFFAOYSA-N 1 0 402.455 -0.176 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1S(N)(=O)=O ZINC000490350649 1070655157 /nfs/dbraw/zinc/65/51/57/1070655157.db2.gz YKRIDRRFPWROFI-UKRRQHHQSA-N 1 0 414.528 -0.018 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000490359943 1070655845 /nfs/dbraw/zinc/65/58/45/1070655845.db2.gz DANRJHPNVLQJBU-INIZCTEOSA-N 1 0 406.487 -0.427 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000490359946 1070656010 /nfs/dbraw/zinc/65/60/10/1070656010.db2.gz DANRJHPNVLQJBU-MRXNPFEDSA-N 1 0 406.487 -0.427 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccccc2F)cn1 ZINC000490360942 1070655950 /nfs/dbraw/zinc/65/59/50/1070655950.db2.gz DWHQLPKRZKLDAS-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1)NC1CC1 ZINC000490362165 1070654477 /nfs/dbraw/zinc/65/44/77/1070654477.db2.gz GCTMZBYEUHYALA-UHFFFAOYSA-N 1 0 417.514 -0.660 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490366117 1070654370 /nfs/dbraw/zinc/65/43/70/1070654370.db2.gz JPMYQQJWZFZFBT-UHFFFAOYSA-N 1 0 407.519 -0.700 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1)NC1CC1 ZINC000490367348 1070654425 /nfs/dbraw/zinc/65/44/25/1070654425.db2.gz AEWQPYPVPFYLOX-UHFFFAOYSA-N 1 0 418.498 -0.329 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3O2)cn1 ZINC000490370026 1070655250 /nfs/dbraw/zinc/65/52/50/1070655250.db2.gz MKLSKVKWXCSALI-INIZCTEOSA-N 1 0 414.466 -0.381 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3O2)cn1 ZINC000490370027 1070655148 /nfs/dbraw/zinc/65/51/48/1070655148.db2.gz MKLSKVKWXCSALI-MRXNPFEDSA-N 1 0 414.466 -0.381 20 0 HBADRO C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490371744 1070655232 /nfs/dbraw/zinc/65/52/32/1070655232.db2.gz NANGTBKNNIPYMN-AWEZNQCLSA-N 1 0 416.482 -0.048 20 0 HBADRO C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490371753 1070655196 /nfs/dbraw/zinc/65/51/96/1070655196.db2.gz NANGTBKNNIPYMN-CQSZACIVSA-N 1 0 416.482 -0.048 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490378892 1070658084 /nfs/dbraw/zinc/65/80/84/1070658084.db2.gz ISHCPIWQYGYSIZ-AWEZNQCLSA-N 1 0 422.486 -0.699 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490378897 1070657989 /nfs/dbraw/zinc/65/79/89/1070657989.db2.gz ISHCPIWQYGYSIZ-CQSZACIVSA-N 1 0 422.486 -0.699 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCc3ccc(O)cc3C2)cn1 ZINC000490379545 1070657453 /nfs/dbraw/zinc/65/74/53/1070657453.db2.gz SXEGLSHCUOURQL-UHFFFAOYSA-N 1 0 414.466 -0.210 20 0 HBADRO COC(=O)CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490381607 1070657982 /nfs/dbraw/zinc/65/79/82/1070657982.db2.gz KOSVPISHFINEEK-UHFFFAOYSA-N 1 0 422.486 -0.699 20 0 HBADRO CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490382544 1070658059 /nfs/dbraw/zinc/65/80/59/1070658059.db2.gz XMZOFUYYZRFHIY-UHFFFAOYSA-N 1 0 402.455 -0.136 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc3C2)cn1 ZINC000490385455 1070658998 /nfs/dbraw/zinc/65/89/98/1070658998.db2.gz QCADUQBIMRIFCH-HNNXBMFYSA-N 1 0 414.466 -0.381 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2COc3ccccc3C2)cn1 ZINC000490385456 1070659048 /nfs/dbraw/zinc/65/90/48/1070659048.db2.gz QCADUQBIMRIFCH-OAHLLOKOSA-N 1 0 414.466 -0.381 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cccc(F)c2)cn1 ZINC000490387140 1070659807 /nfs/dbraw/zinc/65/98/07/1070659807.db2.gz WLXSTEOLVMQZCI-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1F ZINC000490387639 1070659707 /nfs/dbraw/zinc/65/97/07/1070659707.db2.gz YDMAFQZUCIWBIN-UHFFFAOYSA-N 1 0 420.445 -0.037 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C[C@H](C)O1 ZINC000490388055 1070659786 /nfs/dbraw/zinc/65/97/86/1070659786.db2.gz ZZGZFHJGAFXDPL-KBPBESRZSA-N 1 0 406.487 -0.284 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C[C@H](C)O1 ZINC000490388056 1070659888 /nfs/dbraw/zinc/65/98/88/1070659888.db2.gz ZZGZFHJGAFXDPL-OKILXGFUSA-N 1 0 406.487 -0.284 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C[C@@H](C)O1 ZINC000490388057 1070659732 /nfs/dbraw/zinc/65/97/32/1070659732.db2.gz ZZGZFHJGAFXDPL-ZIAGYGMSSA-N 1 0 406.487 -0.284 20 0 HBADRO C[C@@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490389228 1070659968 /nfs/dbraw/zinc/65/99/68/1070659968.db2.gz GHTIGZHQRKTYQI-AWEZNQCLSA-N 1 0 416.482 -0.048 20 0 HBADRO C[C@H](Cc1cccc(O)c1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490389229 1070659698 /nfs/dbraw/zinc/65/96/98/1070659698.db2.gz GHTIGZHQRKTYQI-CQSZACIVSA-N 1 0 416.482 -0.048 20 0 HBADRO CCOC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490394497 1070656522 /nfs/dbraw/zinc/65/65/22/1070656522.db2.gz MCSSXXKEMQBLKD-UHFFFAOYSA-N 1 0 422.486 -0.699 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc3c2OCO3)cn1 ZINC000490407494 1070662824 /nfs/dbraw/zinc/66/28/24/1070662824.db2.gz KKZOKJWGWBELTK-UHFFFAOYSA-N 1 0 416.438 -0.456 20 0 HBADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2cccnc12 ZINC000490413331 1070660615 /nfs/dbraw/zinc/66/06/15/1070660615.db2.gz VTJFZBBQZKNPRN-GFCCVEGCSA-N 1 0 404.423 -0.236 20 0 HBADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2cccnc12 ZINC000490413332 1070660656 /nfs/dbraw/zinc/66/06/56/1070660656.db2.gz VTJFZBBQZKNPRN-LBPRGKRZSA-N 1 0 404.423 -0.236 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000490421928 1070661320 /nfs/dbraw/zinc/66/13/20/1070661320.db2.gz MRUHVBPBWNUSAG-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000490421937 1070661451 /nfs/dbraw/zinc/66/14/51/1070661451.db2.gz MRUHVBPBWNUSAG-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO Cc1nc(C)c(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)s1 ZINC000490438337 1070664372 /nfs/dbraw/zinc/66/43/72/1070664372.db2.gz ATALJOBKYBGCCG-UHFFFAOYSA-N 1 0 421.527 -0.068 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1)NC1CC1 ZINC000490446404 1070665024 /nfs/dbraw/zinc/66/50/24/1070665024.db2.gz POKKTSVYRIQPDT-UHFFFAOYSA-N 1 0 418.498 -0.329 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)cn1 ZINC000490447076 1070665008 /nfs/dbraw/zinc/66/50/08/1070665008.db2.gz RFDUTAZMGXIYFR-UHFFFAOYSA-N 1 0 402.455 -0.436 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cccc(O)c2)cn1 ZINC000490450544 1070664862 /nfs/dbraw/zinc/66/48/62/1070664862.db2.gz BKZDWCOZDKYKKK-UHFFFAOYSA-N 1 0 402.455 -0.436 20 0 HBADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450998 1070665095 /nfs/dbraw/zinc/66/50/95/1070665095.db2.gz CGWJGSAIMYPKGM-INIZCTEOSA-N 1 0 407.519 -0.702 20 0 HBADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450999 1070664934 /nfs/dbraw/zinc/66/49/34/1070664934.db2.gz CGWJGSAIMYPKGM-MRXNPFEDSA-N 1 0 407.519 -0.702 20 0 HBADRO CN(C)c1cccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000490451399 1070664967 /nfs/dbraw/zinc/66/49/67/1070664967.db2.gz DNZKRQLWYYYRHR-UHFFFAOYSA-N 1 0 415.498 -0.118 20 0 HBADRO CC(C)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490452369 1070662908 /nfs/dbraw/zinc/66/29/08/1070662908.db2.gz JMSBRUHWKDKSIC-INIZCTEOSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490452372 1070662660 /nfs/dbraw/zinc/66/26/60/1070662660.db2.gz JMSBRUHWKDKSIC-MRXNPFEDSA-N 1 0 408.503 -0.227 20 0 HBADRO COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n(C)n1 ZINC000490452956 1070662922 /nfs/dbraw/zinc/66/29/22/1070662922.db2.gz LLOGEKKPBISKLM-UHFFFAOYSA-N 1 0 406.487 -0.686 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C3CCC3)CC2)cn1 ZINC000490455371 1070662583 /nfs/dbraw/zinc/66/25/83/1070662583.db2.gz UYTHPNDCDLKHGX-UHFFFAOYSA-N 1 0 405.503 -0.804 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000490457188 1070663447 /nfs/dbraw/zinc/66/34/47/1070663447.db2.gz HICPLPKGCPVHQB-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(OCC3CC3)CC2)cn1 ZINC000490461780 1070663326 /nfs/dbraw/zinc/66/33/26/1070663326.db2.gz UTPRWRJGVZOMLF-UHFFFAOYSA-N 1 0 420.514 -0.083 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000490467558 1070665693 /nfs/dbraw/zinc/66/56/93/1070665693.db2.gz FAFBEGFIQPUCRU-HNNXBMFYSA-N 1 0 406.487 -0.283 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000490467559 1070665754 /nfs/dbraw/zinc/66/57/54/1070665754.db2.gz FAFBEGFIQPUCRU-OAHLLOKOSA-N 1 0 406.487 -0.283 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(O)CCCCCC2)cn1 ZINC000490468317 1070665700 /nfs/dbraw/zinc/66/57/00/1070665700.db2.gz HKQQATWLVWXQOE-UHFFFAOYSA-N 1 0 408.503 -0.299 20 0 HBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490473540 1070666540 /nfs/dbraw/zinc/66/65/40/1070666540.db2.gz WQQZKZIIQFNUOI-AWEZNQCLSA-N 1 0 421.502 -0.983 20 0 HBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490473541 1070666356 /nfs/dbraw/zinc/66/63/56/1070666356.db2.gz WQQZKZIIQFNUOI-CQSZACIVSA-N 1 0 421.502 -0.983 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccccc2O)cn1 ZINC000490473926 1070666599 /nfs/dbraw/zinc/66/65/99/1070666599.db2.gz YJUDTAVOEQUEKO-UHFFFAOYSA-N 1 0 402.455 -0.436 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1)NC1CC1 ZINC000490474068 1070666453 /nfs/dbraw/zinc/66/64/53/1070666453.db2.gz YSYKLMYFGBNPRE-HNNXBMFYSA-N 1 0 418.498 -0.329 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1)NC1CC1 ZINC000490474069 1070666615 /nfs/dbraw/zinc/66/66/15/1070666615.db2.gz YSYKLMYFGBNPRE-OAHLLOKOSA-N 1 0 418.498 -0.329 20 0 HBADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C12CCC2 ZINC000490476218 1070666333 /nfs/dbraw/zinc/66/63/33/1070666333.db2.gz LVCFQLBHAZMFBX-CVEARBPZSA-N 1 0 420.514 -0.037 20 0 HBADRO CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C12CCC2 ZINC000490476219 1070666532 /nfs/dbraw/zinc/66/65/32/1070666532.db2.gz LVCFQLBHAZMFBX-HOTGVXAUSA-N 1 0 420.514 -0.037 20 0 HBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C12CCC2 ZINC000490476220 1070666388 /nfs/dbraw/zinc/66/63/88/1070666388.db2.gz LVCFQLBHAZMFBX-HZPDHXFCSA-N 1 0 420.514 -0.037 20 0 HBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C12CCC2 ZINC000490476221 1070666548 /nfs/dbraw/zinc/66/65/48/1070666548.db2.gz LVCFQLBHAZMFBX-JKSUJKDBSA-N 1 0 420.514 -0.037 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC3(CCOCC3)C2)cn1 ZINC000490480268 1070664791 /nfs/dbraw/zinc/66/47/91/1070664791.db2.gz VWQZEBUTMOZOJV-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cn1 ZINC000490486090 1070665718 /nfs/dbraw/zinc/66/57/18/1070665718.db2.gz PHUOMQGJSXVDMB-INIZCTEOSA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cn1 ZINC000490486093 1070665750 /nfs/dbraw/zinc/66/57/50/1070665750.db2.gz PHUOMQGJSXVDMB-MRXNPFEDSA-N 1 0 408.503 -0.443 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(CCOC)nn2C)CC1 ZINC000490492756 1070667206 /nfs/dbraw/zinc/66/72/06/1070667206.db2.gz OGEWUXNRQHAITF-UHFFFAOYSA-N 1 0 408.503 -0.440 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000490493313 1070667274 /nfs/dbraw/zinc/66/72/74/1070667274.db2.gz VBLUMNBVCXIVTC-UHFFFAOYSA-N 1 0 423.495 -0.091 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(O)c(F)c2)cn1 ZINC000490497083 1070668086 /nfs/dbraw/zinc/66/80/86/1070668086.db2.gz YYCZUZLSKDCFPJ-UHFFFAOYSA-N 1 0 406.418 -0.340 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cn1 ZINC000490502420 1070668869 /nfs/dbraw/zinc/66/88/69/1070668869.db2.gz GIQNWWQCDUMPHW-UHFFFAOYSA-N 1 0 421.502 -0.936 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490503700 1070668858 /nfs/dbraw/zinc/66/88/58/1070668858.db2.gz UJWOMDHMIVRUKO-INIZCTEOSA-N 1 0 406.487 -0.691 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490503701 1070668880 /nfs/dbraw/zinc/66/88/80/1070668880.db2.gz UJWOMDHMIVRUKO-MRXNPFEDSA-N 1 0 406.487 -0.691 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490505959 1070669338 /nfs/dbraw/zinc/66/93/38/1070669338.db2.gz SXDFNOXAPRPJOI-INIZCTEOSA-N 1 0 406.487 -0.331 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490505960 1070669561 /nfs/dbraw/zinc/66/95/61/1070669561.db2.gz SXDFNOXAPRPJOI-MRXNPFEDSA-N 1 0 406.487 -0.331 20 0 HBADRO CCOC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490515374 1070669610 /nfs/dbraw/zinc/66/96/10/1070669610.db2.gz VYAZFASWFDSYRI-HNNXBMFYSA-N 1 0 408.503 -0.226 20 0 HBADRO CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490515375 1070669517 /nfs/dbraw/zinc/66/95/17/1070669517.db2.gz VYAZFASWFDSYRI-OAHLLOKOSA-N 1 0 408.503 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](n3cccn3)C2)cn1 ZINC000490517115 1070670322 /nfs/dbraw/zinc/67/03/22/1070670322.db2.gz NKQURCBFXCYDNT-INIZCTEOSA-N 1 0 416.486 -0.440 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](n3cccn3)C2)cn1 ZINC000490517116 1070670396 /nfs/dbraw/zinc/67/03/96/1070670396.db2.gz NKQURCBFXCYDNT-MRXNPFEDSA-N 1 0 416.486 -0.440 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000490520508 1070670305 /nfs/dbraw/zinc/67/03/05/1070670305.db2.gz LICXQWBARLVYBD-DJIMGWMZSA-N 1 0 420.514 -0.181 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000490520509 1070670230 /nfs/dbraw/zinc/67/02/30/1070670230.db2.gz LICXQWBARLVYBD-OIISXLGYSA-N 1 0 420.514 -0.181 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000490520510 1070670246 /nfs/dbraw/zinc/67/02/46/1070670246.db2.gz LICXQWBARLVYBD-UAGQMJEPSA-N 1 0 420.514 -0.181 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000490520511 1070670298 /nfs/dbraw/zinc/67/02/98/1070670298.db2.gz LICXQWBARLVYBD-USXIJHARSA-N 1 0 420.514 -0.181 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000490563056 1070673163 /nfs/dbraw/zinc/67/31/63/1070673163.db2.gz FZOXDQIRQUNYEI-UHFFFAOYSA-N 1 0 423.495 -0.961 20 0 HBADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000490582122 1070673278 /nfs/dbraw/zinc/67/32/78/1070673278.db2.gz BZFAAGCNLZRZQZ-UHFFFAOYSA-N 1 0 402.451 -0.088 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000490584584 1069692173 /nfs/dbraw/zinc/69/21/73/1069692173.db2.gz LULPWMJMCDIAOL-UHFFFAOYSA-N 1 0 400.487 -0.368 20 0 HBADRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000490647098 1070676723 /nfs/dbraw/zinc/67/67/23/1070676723.db2.gz HKEKXEVDMBYNEW-UHFFFAOYSA-N 1 0 412.531 -0.347 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000490647745 1070676740 /nfs/dbraw/zinc/67/67/40/1070676740.db2.gz DUNCKFKBJYPJCI-DOTOQJQBSA-N 1 0 408.524 -0.017 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000490647752 1070676772 /nfs/dbraw/zinc/67/67/72/1070676772.db2.gz DUNCKFKBJYPJCI-NVXWUHKLSA-N 1 0 408.524 -0.017 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000490647753 1070677041 /nfs/dbraw/zinc/67/70/41/1070677041.db2.gz DUNCKFKBJYPJCI-RDJZCZTQSA-N 1 0 408.524 -0.017 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000490647754 1070677009 /nfs/dbraw/zinc/67/70/09/1070677009.db2.gz DUNCKFKBJYPJCI-WBVHZDCISA-N 1 0 408.524 -0.017 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490700050 1070681082 /nfs/dbraw/zinc/68/10/82/1070681082.db2.gz OULOQEPFQFSUHK-ILXRZTDVSA-N 1 0 406.531 -0.805 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490700060 1070681175 /nfs/dbraw/zinc/68/11/75/1070681175.db2.gz OULOQEPFQFSUHK-KFWWJZLASA-N 1 0 406.531 -0.805 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490700062 1070681062 /nfs/dbraw/zinc/68/10/62/1070681062.db2.gz OULOQEPFQFSUHK-QLFBSQMISA-N 1 0 406.531 -0.805 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490700064 1070681208 /nfs/dbraw/zinc/68/12/08/1070681208.db2.gz OULOQEPFQFSUHK-RBSFLKMASA-N 1 0 406.531 -0.805 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000490748212 1070683736 /nfs/dbraw/zinc/68/37/36/1070683736.db2.gz WWYWDVKCHMRRDZ-DLBZAZTESA-N 1 0 419.530 -0.388 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000490748217 1070683998 /nfs/dbraw/zinc/68/39/98/1070683998.db2.gz WWYWDVKCHMRRDZ-IAGOWNOFSA-N 1 0 419.530 -0.388 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000490748219 1070683943 /nfs/dbraw/zinc/68/39/43/1070683943.db2.gz WWYWDVKCHMRRDZ-IRXDYDNUSA-N 1 0 419.530 -0.388 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000490748221 1070683932 /nfs/dbraw/zinc/68/39/32/1070683932.db2.gz WWYWDVKCHMRRDZ-SJORKVTESA-N 1 0 419.530 -0.388 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)c(=O)n2C ZINC000490803015 1070686332 /nfs/dbraw/zinc/68/63/32/1070686332.db2.gz NCFUYEPRYQZVCG-CABCVRRESA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)c(=O)n2C ZINC000490803019 1070686136 /nfs/dbraw/zinc/68/61/36/1070686136.db2.gz NCFUYEPRYQZVCG-GJZGRUSLSA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)c(=O)n2C ZINC000490803021 1070686107 /nfs/dbraw/zinc/68/61/07/1070686107.db2.gz NCFUYEPRYQZVCG-HUUCEWRRSA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)c(=O)n2C ZINC000490803024 1070686247 /nfs/dbraw/zinc/68/62/47/1070686247.db2.gz NCFUYEPRYQZVCG-LSDHHAIUSA-N 1 0 418.498 -0.682 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@H+](C)CCOC)c1 ZINC000490862598 1070690486 /nfs/dbraw/zinc/69/04/86/1070690486.db2.gz AAOSPNKBELXKHG-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO C[N@H+](CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000490864540 1070690408 /nfs/dbraw/zinc/69/04/08/1070690408.db2.gz ZOXVIIXZIQHTFB-UHFFFAOYSA-N 1 0 410.544 -0.073 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC000490889932 1070691841 /nfs/dbraw/zinc/69/18/41/1070691841.db2.gz WIVHUWQPVSSGSB-INIZCTEOSA-N 1 0 403.483 -0.402 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC000490889937 1070692095 /nfs/dbraw/zinc/69/20/95/1070692095.db2.gz WIVHUWQPVSSGSB-MRXNPFEDSA-N 1 0 403.483 -0.402 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1=O ZINC000490896804 1070692909 /nfs/dbraw/zinc/69/29/09/1070692909.db2.gz CRSCFCYLDDYZIK-AWEZNQCLSA-N 1 0 401.467 -0.250 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1=O ZINC000490896805 1070692741 /nfs/dbraw/zinc/69/27/41/1070692741.db2.gz CRSCFCYLDDYZIK-CQSZACIVSA-N 1 0 401.467 -0.250 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cn2)CC1 ZINC000490932621 1070693490 /nfs/dbraw/zinc/69/34/90/1070693490.db2.gz JMCVAUKKLGQGNK-GDBMZVCRSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cn2)CC1 ZINC000490932623 1070693331 /nfs/dbraw/zinc/69/33/31/1070693331.db2.gz JMCVAUKKLGQGNK-GOEBONIOSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cn2)CC1 ZINC000490932625 1070693602 /nfs/dbraw/zinc/69/36/02/1070693602.db2.gz JMCVAUKKLGQGNK-HOCLYGCPSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cn2)CC1 ZINC000490932628 1070693620 /nfs/dbraw/zinc/69/36/20/1070693620.db2.gz JMCVAUKKLGQGNK-ZBFHGGJFSA-N 1 0 421.523 -0.193 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=O)[nH]c1=O ZINC000490957341 1070694253 /nfs/dbraw/zinc/69/42/53/1070694253.db2.gz CSFNSPBCUIQTOA-CABCVRRESA-N 1 0 422.530 -0.682 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000490957342 1070694320 /nfs/dbraw/zinc/69/43/20/1070694320.db2.gz CSFNSPBCUIQTOA-GJZGRUSLSA-N 1 0 422.530 -0.682 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=O)[nH]c1=O ZINC000490957343 1070695000 /nfs/dbraw/zinc/69/50/00/1070695000.db2.gz CSFNSPBCUIQTOA-HUUCEWRRSA-N 1 0 422.530 -0.682 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000490957344 1070694869 /nfs/dbraw/zinc/69/48/69/1070694869.db2.gz CSFNSPBCUIQTOA-LSDHHAIUSA-N 1 0 422.530 -0.682 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1=O ZINC000490972176 1070695703 /nfs/dbraw/zinc/69/57/03/1070695703.db2.gz QGRSNKOOQODGPS-INIZCTEOSA-N 1 0 401.467 -0.331 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1=O ZINC000490972179 1070695564 /nfs/dbraw/zinc/69/55/64/1070695564.db2.gz QGRSNKOOQODGPS-MRXNPFEDSA-N 1 0 401.467 -0.331 20 0 HBADRO C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490993530 1070696546 /nfs/dbraw/zinc/69/65/46/1070696546.db2.gz FXDWNCPFECXNJS-CVEARBPZSA-N 1 0 403.531 -0.609 20 0 HBADRO C[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490993540 1070696512 /nfs/dbraw/zinc/69/65/12/1070696512.db2.gz FXDWNCPFECXNJS-HOTGVXAUSA-N 1 0 403.531 -0.609 20 0 HBADRO C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490993541 1070696400 /nfs/dbraw/zinc/69/64/00/1070696400.db2.gz FXDWNCPFECXNJS-HZPDHXFCSA-N 1 0 403.531 -0.609 20 0 HBADRO C[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490993544 1070696614 /nfs/dbraw/zinc/69/66/14/1070696614.db2.gz FXDWNCPFECXNJS-JKSUJKDBSA-N 1 0 403.531 -0.609 20 0 HBADRO C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490996176 1070696458 /nfs/dbraw/zinc/69/64/58/1070696458.db2.gz NBBYWSNGJFQZKA-DLBZAZTESA-N 1 0 403.593 -0.658 20 0 HBADRO C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490996177 1070696595 /nfs/dbraw/zinc/69/65/95/1070696595.db2.gz NBBYWSNGJFQZKA-IAGOWNOFSA-N 1 0 403.593 -0.658 20 0 HBADRO C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490996178 1070696314 /nfs/dbraw/zinc/69/63/14/1070696314.db2.gz NBBYWSNGJFQZKA-IRXDYDNUSA-N 1 0 403.593 -0.658 20 0 HBADRO C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490996594 1070696296 /nfs/dbraw/zinc/69/62/96/1070696296.db2.gz NBBYWSNGJFQZKA-SJORKVTESA-N 1 0 403.593 -0.658 20 0 HBADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490998862 1070696565 /nfs/dbraw/zinc/69/65/65/1070696565.db2.gz RCYTYXRGXWAXGN-MOPGFXCFSA-N 1 0 408.591 -0.823 20 0 HBADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490998869 1070696370 /nfs/dbraw/zinc/69/63/70/1070696370.db2.gz RCYTYXRGXWAXGN-OALUTQOASA-N 1 0 408.591 -0.823 20 0 HBADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490998870 1070696344 /nfs/dbraw/zinc/69/63/44/1070696344.db2.gz RCYTYXRGXWAXGN-RBUKOAKNSA-N 1 0 408.591 -0.823 20 0 HBADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490998872 1070696644 /nfs/dbraw/zinc/69/66/44/1070696644.db2.gz RCYTYXRGXWAXGN-RTBURBONSA-N 1 0 408.591 -0.823 20 0 HBADRO CCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491031694 1070697924 /nfs/dbraw/zinc/69/79/24/1070697924.db2.gz ZMCCSCDYPMQQEQ-BZSNNMDCSA-N 1 0 400.589 -0.020 20 0 HBADRO CCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491031714 1070697958 /nfs/dbraw/zinc/69/79/58/1070697958.db2.gz ZMCCSCDYPMQQEQ-KSZLIROESA-N 1 0 400.589 -0.020 20 0 HBADRO CCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491031715 1070698059 /nfs/dbraw/zinc/69/80/59/1070698059.db2.gz ZMCCSCDYPMQQEQ-KURKYZTESA-N 1 0 400.589 -0.020 20 0 HBADRO CCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491031716 1070697974 /nfs/dbraw/zinc/69/79/74/1070697974.db2.gz ZMCCSCDYPMQQEQ-SQNIBIBYSA-N 1 0 400.589 -0.020 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000491034531 1070697870 /nfs/dbraw/zinc/69/78/70/1070697870.db2.gz HGBVTLDCLKXQIY-UHFFFAOYSA-N 1 0 404.581 -0.462 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)cc1 ZINC000491043204 1070698876 /nfs/dbraw/zinc/69/88/76/1070698876.db2.gz ZWVCYXXPZHFXKT-UHFFFAOYSA-N 1 0 423.495 -0.061 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000491089721 1070700846 /nfs/dbraw/zinc/70/08/46/1070700846.db2.gz NCTJUOVZICMUOJ-INIZCTEOSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000491089722 1070700924 /nfs/dbraw/zinc/70/09/24/1070700924.db2.gz NCTJUOVZICMUOJ-MRXNPFEDSA-N 1 0 417.576 -0.100 20 0 HBADRO COCCN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000491112499 1070700216 /nfs/dbraw/zinc/70/02/16/1070700216.db2.gz YHXAQHRSKLTWNM-UHFFFAOYSA-N 1 0 419.482 -0.115 20 0 HBADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000491113153 1070700248 /nfs/dbraw/zinc/70/02/48/1070700248.db2.gz ZYFPGZXMYWPPNJ-BZUAXINKSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000491113154 1070700191 /nfs/dbraw/zinc/70/01/91/1070700191.db2.gz ZYFPGZXMYWPPNJ-OWCLPIDISA-N 1 0 405.565 -0.256 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000491145725 1070701861 /nfs/dbraw/zinc/70/18/61/1070701861.db2.gz MFLRFRFXSKAWRV-UHFFFAOYSA-N 1 0 418.541 -0.621 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1 ZINC000491153331 1070702968 /nfs/dbraw/zinc/70/29/68/1070702968.db2.gz CYKCRYCKRRXTSN-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000491224726 1071210056 /nfs/dbraw/zinc/21/00/56/1071210056.db2.gz RUZFHNVDNYYGLC-UHFFFAOYSA-N 1 0 419.526 -0.364 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000491235641 1071240840 /nfs/dbraw/zinc/24/08/40/1071240840.db2.gz KZAMNSOOACTACT-UHFFFAOYSA-N 1 0 405.499 -0.407 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000491235985 1071243319 /nfs/dbraw/zinc/24/33/19/1071243319.db2.gz LVDHYQKVAJNIAC-UHFFFAOYSA-N 1 0 414.466 -0.282 20 0 HBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000491247428 1071260720 /nfs/dbraw/zinc/26/07/20/1071260720.db2.gz OQUGIDDXBDMGPE-UHFFFAOYSA-N 1 0 412.512 -0.114 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000491257694 1071272350 /nfs/dbraw/zinc/27/23/50/1071272350.db2.gz DVTLKIUPUOBXIR-UHFFFAOYSA-N 1 0 419.526 -0.098 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1 ZINC000491269432 1071289158 /nfs/dbraw/zinc/28/91/58/1071289158.db2.gz CCEMIWUCABVVDW-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000491281865 1071305692 /nfs/dbraw/zinc/30/56/92/1071305692.db2.gz GQEOCKJYRNVHAT-UHFFFAOYSA-N 1 0 412.512 -0.338 20 0 HBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000491300089 1071387380 /nfs/dbraw/zinc/38/73/80/1071387380.db2.gz WXDFLNGHISSWKQ-HNNXBMFYSA-N 1 0 411.528 -0.325 20 0 HBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000491300090 1071387423 /nfs/dbraw/zinc/38/74/23/1071387423.db2.gz WXDFLNGHISSWKQ-OAHLLOKOSA-N 1 0 411.528 -0.325 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000491346353 1071541121 /nfs/dbraw/zinc/54/11/21/1071541121.db2.gz MDKYLFSTICHAJH-UHFFFAOYSA-N 1 0 421.479 -0.405 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000491358560 1071541225 /nfs/dbraw/zinc/54/12/25/1071541225.db2.gz GJEDUAWGLDNNFW-UHFFFAOYSA-N 1 0 404.464 -0.291 20 0 HBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000491362143 1071541139 /nfs/dbraw/zinc/54/11/39/1071541139.db2.gz RJGCJMDRHKXVLC-HNNXBMFYSA-N 1 0 414.470 -0.246 20 0 HBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000491362144 1071541183 /nfs/dbraw/zinc/54/11/83/1071541183.db2.gz RJGCJMDRHKXVLC-OAHLLOKOSA-N 1 0 414.470 -0.246 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC3(CCCC3)C2)cn1 ZINC000491458733 1071544207 /nfs/dbraw/zinc/54/42/07/1071544207.db2.gz NUXPBSWISJJVAE-UHFFFAOYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000491482480 1071545671 /nfs/dbraw/zinc/54/56/71/1071545671.db2.gz BEQWLPADDREAPY-CYBMUJFWSA-N 1 0 421.502 -0.985 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000491482481 1071545492 /nfs/dbraw/zinc/54/54/92/1071545492.db2.gz BEQWLPADDREAPY-ZDUSSCGKSA-N 1 0 421.502 -0.985 20 0 HBADRO CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491511657 1071546429 /nfs/dbraw/zinc/54/64/29/1071546429.db2.gz HYADKEAIQQYVJL-INIZCTEOSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)CO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491511658 1071546050 /nfs/dbraw/zinc/54/60/50/1071546050.db2.gz HYADKEAIQQYVJL-MRXNPFEDSA-N 1 0 408.503 -0.227 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000491528682 1071545415 /nfs/dbraw/zinc/54/54/15/1071545415.db2.gz DZJCQMZTGILLEC-GFCCVEGCSA-N 1 0 416.475 -0.149 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000491528685 1071545324 /nfs/dbraw/zinc/54/53/24/1071545324.db2.gz DZJCQMZTGILLEC-LBPRGKRZSA-N 1 0 416.475 -0.149 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000491530384 1071545629 /nfs/dbraw/zinc/54/56/29/1071545629.db2.gz KWTUPCOZDBQOOS-KRWDZBQOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000491530385 1071545521 /nfs/dbraw/zinc/54/55/21/1071545521.db2.gz KWTUPCOZDBQOOS-QGZVFWFLSA-N 1 0 411.466 -0.029 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cn1 ZINC000491532254 1071545502 /nfs/dbraw/zinc/54/55/02/1071545502.db2.gz PJRNWBKYQSZEOF-NZSAHSFTSA-N 1 0 410.478 -0.046 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cn1 ZINC000491532255 1071545649 /nfs/dbraw/zinc/54/56/49/1071545649.db2.gz PJRNWBKYQSZEOF-QXAKKESOSA-N 1 0 410.478 -0.046 20 0 HBADRO Cc1nc(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)sc1C ZINC000491557441 1071546825 /nfs/dbraw/zinc/54/68/25/1071546825.db2.gz CCLXUXPYMQBGPG-UHFFFAOYSA-N 1 0 421.527 -0.068 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000491558802 1071546723 /nfs/dbraw/zinc/54/67/23/1071546723.db2.gz GTRPJXQVFRJUEX-UHFFFAOYSA-N 1 0 405.542 -0.033 20 0 HBADRO COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC000491562994 1071546329 /nfs/dbraw/zinc/54/63/29/1071546329.db2.gz YRFJYYAZIWRZKZ-HNNXBMFYSA-N 1 0 406.487 -0.688 20 0 HBADRO COCCc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC000491562996 1071546096 /nfs/dbraw/zinc/54/60/96/1071546096.db2.gz YRFJYYAZIWRZKZ-OAHLLOKOSA-N 1 0 406.487 -0.688 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@]3(CCCOC3)C2)cn1 ZINC000491571717 1071547301 /nfs/dbraw/zinc/54/73/01/1071547301.db2.gz HDGCDGYMYHLTOK-FQEVSTJZSA-N 1 0 420.514 -0.081 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@]3(CCCOC3)C2)cn1 ZINC000491571718 1071547274 /nfs/dbraw/zinc/54/72/74/1071547274.db2.gz HDGCDGYMYHLTOK-HXUWFJFHSA-N 1 0 420.514 -0.081 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)cn1 ZINC000491571803 1071547285 /nfs/dbraw/zinc/54/72/85/1071547285.db2.gz HVHQFVSYKULKMK-INIZCTEOSA-N 1 0 418.454 -0.308 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)cn1 ZINC000491571804 1071547260 /nfs/dbraw/zinc/54/72/60/1071547260.db2.gz HVHQFVSYKULKMK-MRXNPFEDSA-N 1 0 418.454 -0.308 20 0 HBADRO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(F)c1 ZINC000491572166 1071547981 /nfs/dbraw/zinc/54/79/81/1071547981.db2.gz LPAMYWTZQSAVRL-UHFFFAOYSA-N 1 0 420.445 -0.037 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000491574456 1071547959 /nfs/dbraw/zinc/54/79/59/1071547959.db2.gz WMOSBDZYTASYNU-HNNXBMFYSA-N 1 0 420.392 -0.975 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000491574457 1071547913 /nfs/dbraw/zinc/54/79/13/1071547913.db2.gz WMOSBDZYTASYNU-OAHLLOKOSA-N 1 0 420.392 -0.975 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(C)CCCC[C@H]2O)cn1 ZINC000491585272 1071546755 /nfs/dbraw/zinc/54/67/55/1071546755.db2.gz BPICFKAFBCPLFW-BEFAXECRSA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(C)CCCC[C@H]2O)cn1 ZINC000491585273 1071546877 /nfs/dbraw/zinc/54/68/77/1071546877.db2.gz BPICFKAFBCPLFW-DNVCBOLYSA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1 ZINC000491585274 1071546836 /nfs/dbraw/zinc/54/68/36/1071546836.db2.gz BPICFKAFBCPLFW-HNAYVOBHSA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1 ZINC000491585275 1071547445 /nfs/dbraw/zinc/54/74/45/1071547445.db2.gz BPICFKAFBCPLFW-KXBFYZLASA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O ZINC000491587704 1071548456 /nfs/dbraw/zinc/54/84/56/1071548456.db2.gz AYOYWFYBPIWYLX-CVEARBPZSA-N 1 0 408.524 -0.024 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O ZINC000491587705 1071548522 /nfs/dbraw/zinc/54/85/22/1071548522.db2.gz AYOYWFYBPIWYLX-HOTGVXAUSA-N 1 0 408.524 -0.024 20 0 HBADRO Cc1ccsc1[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491597656 1071547972 /nfs/dbraw/zinc/54/79/72/1071547972.db2.gz XUNLGLQYXGNZLZ-AWEZNQCLSA-N 1 0 422.511 -0.281 20 0 HBADRO Cc1ccsc1[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491597657 1071547940 /nfs/dbraw/zinc/54/79/40/1071547940.db2.gz XUNLGLQYXGNZLZ-CQSZACIVSA-N 1 0 422.511 -0.281 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000491607839 1071548483 /nfs/dbraw/zinc/54/84/83/1071548483.db2.gz RRZMGKNFCCPEKS-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000491607840 1071548552 /nfs/dbraw/zinc/54/85/52/1071548552.db2.gz RRZMGKNFCCPEKS-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CCO1 ZINC000491609939 1071549101 /nfs/dbraw/zinc/54/91/01/1071549101.db2.gz MEIBCIMXZBXQLT-HNNXBMFYSA-N 1 0 424.523 -0.268 20 0 HBADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CCO1 ZINC000491609940 1071549085 /nfs/dbraw/zinc/54/90/85/1071549085.db2.gz MEIBCIMXZBXQLT-OAHLLOKOSA-N 1 0 424.523 -0.268 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000491821109 1071550123 /nfs/dbraw/zinc/55/01/23/1071550123.db2.gz JNOLFPYUBIQJAQ-GASCZTMLSA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000491821111 1071550302 /nfs/dbraw/zinc/55/03/02/1071550302.db2.gz JNOLFPYUBIQJAQ-GJZGRUSLSA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000491821112 1071550370 /nfs/dbraw/zinc/55/03/70/1071550370.db2.gz JNOLFPYUBIQJAQ-HUUCEWRRSA-N 1 0 403.549 -0.238 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491836098 1071550353 /nfs/dbraw/zinc/55/03/53/1071550353.db2.gz WWYOQZUWOBZGEK-DLBZAZTESA-N 1 0 414.572 -0.350 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491836099 1071550217 /nfs/dbraw/zinc/55/02/17/1071550217.db2.gz WWYOQZUWOBZGEK-IAGOWNOFSA-N 1 0 414.572 -0.350 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491836100 1071550778 /nfs/dbraw/zinc/55/07/78/1071550778.db2.gz WWYOQZUWOBZGEK-IRXDYDNUSA-N 1 0 414.572 -0.350 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491836101 1071550636 /nfs/dbraw/zinc/55/06/36/1071550636.db2.gz WWYOQZUWOBZGEK-SJORKVTESA-N 1 0 414.572 -0.350 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000491855449 1071550742 /nfs/dbraw/zinc/55/07/42/1071550742.db2.gz ULCUQVBHYICBNZ-DLBZAZTESA-N 1 0 417.510 -0.077 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000491855450 1071550758 /nfs/dbraw/zinc/55/07/58/1071550758.db2.gz ULCUQVBHYICBNZ-IAGOWNOFSA-N 1 0 417.510 -0.077 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000491855451 1071550685 /nfs/dbraw/zinc/55/06/85/1071550685.db2.gz ULCUQVBHYICBNZ-IRXDYDNUSA-N 1 0 417.510 -0.077 20 0 HBADRO Cn1c2c(ccn2CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000491855452 1071550716 /nfs/dbraw/zinc/55/07/16/1071550716.db2.gz ULCUQVBHYICBNZ-SJORKVTESA-N 1 0 417.510 -0.077 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000491855936 1071550809 /nfs/dbraw/zinc/55/08/09/1071550809.db2.gz XKJKMGLZFWPHNR-IAOVAPTHSA-N 1 0 413.544 -0.029 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000491855940 1071550721 /nfs/dbraw/zinc/55/07/21/1071550721.db2.gz XKJKMGLZFWPHNR-JQFCIGGWSA-N 1 0 413.544 -0.029 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000491855942 1071550764 /nfs/dbraw/zinc/55/07/64/1071550764.db2.gz XKJKMGLZFWPHNR-RRQGHBQHSA-N 1 0 413.544 -0.029 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491855944 1071550668 /nfs/dbraw/zinc/55/06/68/1071550668.db2.gz XKJKMGLZFWPHNR-XKQJLSEDSA-N 1 0 413.544 -0.029 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491879989 1071551222 /nfs/dbraw/zinc/55/12/22/1071551222.db2.gz KRDLHXGDBMSUSU-CABCVRRESA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491879990 1071551262 /nfs/dbraw/zinc/55/12/62/1071551262.db2.gz KRDLHXGDBMSUSU-GJZGRUSLSA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491879991 1071551356 /nfs/dbraw/zinc/55/13/56/1071551356.db2.gz KRDLHXGDBMSUSU-HUUCEWRRSA-N 1 0 418.498 -0.682 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491879992 1071551725 /nfs/dbraw/zinc/55/17/25/1071551725.db2.gz KRDLHXGDBMSUSU-LSDHHAIUSA-N 1 0 418.498 -0.682 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1C ZINC000491936540 1071552901 /nfs/dbraw/zinc/55/29/01/1071552901.db2.gz IMHBGMIENOJTFP-CVEARBPZSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1C ZINC000491936543 1071552842 /nfs/dbraw/zinc/55/28/42/1071552842.db2.gz IMHBGMIENOJTFP-HOTGVXAUSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1C ZINC000491936546 1071552786 /nfs/dbraw/zinc/55/27/86/1071552786.db2.gz IMHBGMIENOJTFP-HZPDHXFCSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1C ZINC000491936548 1071552694 /nfs/dbraw/zinc/55/26/94/1071552694.db2.gz IMHBGMIENOJTFP-JKSUJKDBSA-N 1 0 413.544 -0.109 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C ZINC000492062413 1071553472 /nfs/dbraw/zinc/55/34/72/1071553472.db2.gz NFPXMUCNIDZJAL-KBPBESRZSA-N 1 0 412.512 -0.211 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000492397590 1071558165 /nfs/dbraw/zinc/55/81/65/1071558165.db2.gz SVMOQQUWALQBCG-FXAWDEMLSA-N 1 0 418.498 -0.331 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000492397591 1071558087 /nfs/dbraw/zinc/55/80/87/1071558087.db2.gz SVMOQQUWALQBCG-PXNSSMCTSA-N 1 0 418.498 -0.331 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000492397592 1071558003 /nfs/dbraw/zinc/55/80/03/1071558003.db2.gz SVMOQQUWALQBCG-XLIONFOSSA-N 1 0 418.498 -0.331 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000492397593 1071558092 /nfs/dbraw/zinc/55/80/92/1071558092.db2.gz SVMOQQUWALQBCG-YLJYHZDGSA-N 1 0 418.498 -0.331 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)NC(=O)[C@H]4C3)CC2)cc1 ZINC000492625873 1071562574 /nfs/dbraw/zinc/56/25/74/1071562574.db2.gz GXBRNDRRGZTPCY-GOSISDBHSA-N 1 0 415.494 -0.035 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000492625874 1071562520 /nfs/dbraw/zinc/56/25/20/1071562520.db2.gz GXBRNDRRGZTPCY-SFHVURJKSA-N 1 0 415.494 -0.035 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000492710740 1071565045 /nfs/dbraw/zinc/56/50/45/1071565045.db2.gz ZYLHJSJORZWMAF-MOPGFXCFSA-N 1 0 411.591 -0.008 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000492710741 1071565596 /nfs/dbraw/zinc/56/55/96/1071565596.db2.gz ZYLHJSJORZWMAF-OALUTQOASA-N 1 0 411.591 -0.008 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000492710742 1071565638 /nfs/dbraw/zinc/56/56/38/1071565638.db2.gz ZYLHJSJORZWMAF-RBUKOAKNSA-N 1 0 411.591 -0.008 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000492710743 1071565494 /nfs/dbraw/zinc/56/54/94/1071565494.db2.gz ZYLHJSJORZWMAF-RTBURBONSA-N 1 0 411.591 -0.008 20 0 HBADRO COCCN(C(=O)CN(C)CCC[NH+]1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492850709 1071567976 /nfs/dbraw/zinc/56/79/76/1071567976.db2.gz HQNVKTXPIDTEHA-KRWDZBQOSA-N 1 0 404.577 -0.782 20 0 HBADRO COCCN(C(=O)CN(C)CCC[NH+]1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492850714 1071568043 /nfs/dbraw/zinc/56/80/43/1071568043.db2.gz HQNVKTXPIDTEHA-QGZVFWFLSA-N 1 0 404.577 -0.782 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@@H]2CC2CCC2)cn1 ZINC000492971141 1071569310 /nfs/dbraw/zinc/56/93/10/1071569310.db2.gz VKKDNAYOGVNJCM-KRWDZBQOSA-N 1 0 420.514 -0.083 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@H]2CC2CCC2)cn1 ZINC000492971142 1071569265 /nfs/dbraw/zinc/56/92/65/1071569265.db2.gz VKKDNAYOGVNJCM-QGZVFWFLSA-N 1 0 420.514 -0.083 20 0 HBADRO CCCNC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nc1 ZINC000493103475 1071570468 /nfs/dbraw/zinc/57/04/68/1071570468.db2.gz IIRORFCHSVBNCO-UHFFFAOYSA-N 1 0 410.544 -0.164 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000493506354 1071578329 /nfs/dbraw/zinc/57/83/29/1071578329.db2.gz GZSDMULPGGHAMR-PBHICJAKSA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC000493506355 1071578269 /nfs/dbraw/zinc/57/82/69/1071578269.db2.gz GZSDMULPGGHAMR-RHSMWYFYSA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC000493506356 1071578313 /nfs/dbraw/zinc/57/83/13/1071578313.db2.gz GZSDMULPGGHAMR-WMLDXEAASA-N 1 0 406.508 -0.027 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000493506357 1071578414 /nfs/dbraw/zinc/57/84/14/1071578414.db2.gz GZSDMULPGGHAMR-YOEHRIQHSA-N 1 0 406.508 -0.027 20 0 HBADRO CSc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000493602159 1071579414 /nfs/dbraw/zinc/57/94/14/1071579414.db2.gz BVHGHYMBTTVCES-BXUZGUMPSA-N 1 0 402.542 -0.079 20 0 HBADRO CSc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000493602160 1071579363 /nfs/dbraw/zinc/57/93/63/1071579363.db2.gz BVHGHYMBTTVCES-FZMZJTMJSA-N 1 0 402.542 -0.079 20 0 HBADRO CSc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000493602161 1071579433 /nfs/dbraw/zinc/57/94/33/1071579433.db2.gz BVHGHYMBTTVCES-RISCZKNCSA-N 1 0 402.542 -0.079 20 0 HBADRO CSc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000493602162 1071579392 /nfs/dbraw/zinc/57/93/92/1071579392.db2.gz BVHGHYMBTTVCES-SMDDNHRTSA-N 1 0 402.542 -0.079 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000493733927 1071581521 /nfs/dbraw/zinc/58/15/21/1071581521.db2.gz GZRBETQZEQVNKZ-IXDOHACOSA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000493733928 1071581415 /nfs/dbraw/zinc/58/14/15/1071581415.db2.gz GZRBETQZEQVNKZ-YESZJQIVSA-N 1 0 410.515 -0.548 20 0 HBADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000493898785 1071585073 /nfs/dbraw/zinc/58/50/73/1071585073.db2.gz ZDICURGEVLXYJN-UHFFFAOYSA-N 1 0 401.489 -0.335 20 0 HBADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493931538 1071585911 /nfs/dbraw/zinc/58/59/11/1071585911.db2.gz CGINUKRWPBNWAV-DLBZAZTESA-N 1 0 412.556 -0.738 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493931540 1071586156 /nfs/dbraw/zinc/58/61/56/1071586156.db2.gz CGINUKRWPBNWAV-IAGOWNOFSA-N 1 0 412.556 -0.738 20 0 HBADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493931541 1071586040 /nfs/dbraw/zinc/58/60/40/1071586040.db2.gz CGINUKRWPBNWAV-IRXDYDNUSA-N 1 0 412.556 -0.738 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493931542 1071585978 /nfs/dbraw/zinc/58/59/78/1071585978.db2.gz CGINUKRWPBNWAV-SJORKVTESA-N 1 0 412.556 -0.738 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)cn1C ZINC000493931611 1071586060 /nfs/dbraw/zinc/58/60/60/1071586060.db2.gz CVIMLGIKDIONNV-AWEZNQCLSA-N 1 0 401.558 -0.001 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)cn1C ZINC000493931612 1071586232 /nfs/dbraw/zinc/58/62/32/1071586232.db2.gz CVIMLGIKDIONNV-CQSZACIVSA-N 1 0 401.558 -0.001 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961877 1071587181 /nfs/dbraw/zinc/58/71/81/1071587181.db2.gz UXCIBVNZQWPAQF-ARFHVFGLSA-N 1 0 401.529 -0.505 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961878 1071587076 /nfs/dbraw/zinc/58/70/76/1071587076.db2.gz UXCIBVNZQWPAQF-BZUAXINKSA-N 1 0 401.529 -0.505 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961879 1071587150 /nfs/dbraw/zinc/58/71/50/1071587150.db2.gz UXCIBVNZQWPAQF-HRCADAONSA-N 1 0 401.529 -0.505 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961880 1071587217 /nfs/dbraw/zinc/58/72/17/1071587217.db2.gz UXCIBVNZQWPAQF-OWCLPIDISA-N 1 0 401.529 -0.505 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1=O ZINC000494067686 1071590400 /nfs/dbraw/zinc/59/04/00/1071590400.db2.gz BNPFOWBHZCJAGS-CABCVRRESA-N 1 0 400.545 -0.283 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1=O ZINC000494067687 1071590734 /nfs/dbraw/zinc/59/07/34/1071590734.db2.gz BNPFOWBHZCJAGS-GJZGRUSLSA-N 1 0 400.545 -0.283 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1=O ZINC000494067688 1071590978 /nfs/dbraw/zinc/59/09/78/1071590978.db2.gz BNPFOWBHZCJAGS-HUUCEWRRSA-N 1 0 400.545 -0.283 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1=O ZINC000494067689 1071590788 /nfs/dbraw/zinc/59/07/88/1071590788.db2.gz BNPFOWBHZCJAGS-LSDHHAIUSA-N 1 0 400.545 -0.283 20 0 HBADRO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCCO1 ZINC000494150619 1071592965 /nfs/dbraw/zinc/59/29/65/1071592965.db2.gz ISMUAQQDTIYDRZ-INIZCTEOSA-N 1 0 408.503 -0.227 20 0 HBADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCCO1 ZINC000494150620 1071593104 /nfs/dbraw/zinc/59/31/04/1071593104.db2.gz ISMUAQQDTIYDRZ-MRXNPFEDSA-N 1 0 408.503 -0.227 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc2)CC1 ZINC000494211300 1071594476 /nfs/dbraw/zinc/59/44/76/1071594476.db2.gz FMZRGLOXDSXMSP-HNNXBMFYSA-N 1 0 400.426 -0.007 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc2)CC1 ZINC000494211301 1071594365 /nfs/dbraw/zinc/59/43/65/1071594365.db2.gz FMZRGLOXDSXMSP-OAHLLOKOSA-N 1 0 400.426 -0.007 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cnc2n(C)c1=O ZINC000494274652 1071599437 /nfs/dbraw/zinc/59/94/37/1071599437.db2.gz RTAWSDNMXSJRHU-AAEUAGOBSA-N 1 0 402.455 -0.440 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cnc2n(C)c1=O ZINC000494274653 1071599558 /nfs/dbraw/zinc/59/95/58/1071599558.db2.gz RTAWSDNMXSJRHU-DGCLKSJQSA-N 1 0 402.455 -0.440 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cnc2n(C)c1=O ZINC000494274654 1071599570 /nfs/dbraw/zinc/59/95/70/1071599570.db2.gz RTAWSDNMXSJRHU-WCQYABFASA-N 1 0 402.455 -0.440 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cnc2n(C)c1=O ZINC000494274655 1071599428 /nfs/dbraw/zinc/59/94/28/1071599428.db2.gz RTAWSDNMXSJRHU-YPMHNXCESA-N 1 0 402.455 -0.440 20 0 HBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000494365964 1071604605 /nfs/dbraw/zinc/60/46/05/1071604605.db2.gz KKFXPBBFTZWKJG-UHFFFAOYSA-N 1 0 411.528 -0.838 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459939 1071611247 /nfs/dbraw/zinc/61/12/47/1071611247.db2.gz ZEBHHEAQIJUPPK-DLBZAZTESA-N 1 0 405.499 -0.189 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459940 1071611275 /nfs/dbraw/zinc/61/12/75/1071611275.db2.gz ZEBHHEAQIJUPPK-IAGOWNOFSA-N 1 0 405.499 -0.189 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459941 1071611203 /nfs/dbraw/zinc/61/12/03/1071611203.db2.gz ZEBHHEAQIJUPPK-IRXDYDNUSA-N 1 0 405.499 -0.189 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459942 1071611166 /nfs/dbraw/zinc/61/11/66/1071611166.db2.gz ZEBHHEAQIJUPPK-SJORKVTESA-N 1 0 405.499 -0.189 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000494516740 1071611868 /nfs/dbraw/zinc/61/18/68/1071611868.db2.gz VYRKDRZTIRRPEQ-KRWDZBQOSA-N 1 0 406.483 -0.247 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000494516744 1071612392 /nfs/dbraw/zinc/61/23/92/1071612392.db2.gz VYRKDRZTIRRPEQ-QGZVFWFLSA-N 1 0 406.483 -0.247 20 0 HBADRO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557175 1069721869 /nfs/dbraw/zinc/72/18/69/1069721869.db2.gz JDGREKJPBJTTSX-IBGZPJMESA-N 1 0 418.542 -0.341 20 0 HBADRO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557176 1069722163 /nfs/dbraw/zinc/72/21/63/1069722163.db2.gz JDGREKJPBJTTSX-LJQANCHMSA-N 1 0 418.542 -0.341 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000494574195 1071613596 /nfs/dbraw/zinc/61/35/96/1071613596.db2.gz KDXDUUKIMOKBTQ-KRWDZBQOSA-N 1 0 419.569 -0.176 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000494574198 1071613562 /nfs/dbraw/zinc/61/35/62/1071613562.db2.gz KDXDUUKIMOKBTQ-QGZVFWFLSA-N 1 0 419.569 -0.176 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000494586825 1071613645 /nfs/dbraw/zinc/61/36/45/1071613645.db2.gz ODEGWUVMUOULLW-IBGZPJMESA-N 1 0 422.507 -0.659 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000494586826 1071613689 /nfs/dbraw/zinc/61/36/89/1071613689.db2.gz ODEGWUVMUOULLW-LJQANCHMSA-N 1 0 422.507 -0.659 20 0 HBADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494623260 1069721937 /nfs/dbraw/zinc/72/19/37/1069721937.db2.gz CVLIYJOCLYMWTR-INIZCTEOSA-N 1 0 410.540 -0.317 20 0 HBADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494623269 1069722224 /nfs/dbraw/zinc/72/22/24/1069722224.db2.gz CVLIYJOCLYMWTR-MRXNPFEDSA-N 1 0 410.540 -0.317 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)ccc2oc1=O ZINC000494646811 1071616833 /nfs/dbraw/zinc/61/68/33/1071616833.db2.gz GOEHAVAKSPWTOZ-CYBMUJFWSA-N 1 0 415.450 -0.026 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)ccc2oc1=O ZINC000494646812 1071616745 /nfs/dbraw/zinc/61/67/45/1071616745.db2.gz GOEHAVAKSPWTOZ-ZDUSSCGKSA-N 1 0 415.450 -0.026 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494661412 1071617310 /nfs/dbraw/zinc/61/73/10/1071617310.db2.gz MOSDZJWKBFRILQ-KRWDZBQOSA-N 1 0 409.508 -0.015 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494661413 1071617225 /nfs/dbraw/zinc/61/72/25/1071617225.db2.gz MOSDZJWKBFRILQ-QGZVFWFLSA-N 1 0 409.508 -0.015 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1)N1CCOCC1 ZINC000494664113 1069722256 /nfs/dbraw/zinc/72/22/56/1069722256.db2.gz GOELKZAMBCOMFJ-IBGZPJMESA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1)N1CCOCC1 ZINC000494664122 1069722342 /nfs/dbraw/zinc/72/23/42/1069722342.db2.gz GOELKZAMBCOMFJ-LJQANCHMSA-N 1 0 408.543 -0.120 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000494691665 1071619416 /nfs/dbraw/zinc/61/94/16/1071619416.db2.gz QSYLAOQNQNERAU-GOSISDBHSA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000494691666 1071619479 /nfs/dbraw/zinc/61/94/79/1071619479.db2.gz QSYLAOQNQNERAU-SFHVURJKSA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000494701120 1071619562 /nfs/dbraw/zinc/61/95/62/1071619562.db2.gz YIHMGADHHHSELL-HNNXBMFYSA-N 1 0 407.515 -0.378 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000494701125 1071619432 /nfs/dbraw/zinc/61/94/32/1071619432.db2.gz YIHMGADHHHSELL-OAHLLOKOSA-N 1 0 407.515 -0.378 20 0 HBADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494707201 1071620075 /nfs/dbraw/zinc/62/00/75/1071620075.db2.gz FZXGAWYWLMKEOY-MSOLQXFVSA-N 1 0 401.463 -0.046 20 0 HBADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000494707203 1071620144 /nfs/dbraw/zinc/62/01/44/1071620144.db2.gz FZXGAWYWLMKEOY-QZTJIDSGSA-N 1 0 401.463 -0.046 20 0 HBADRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494707205 1071620038 /nfs/dbraw/zinc/62/00/38/1071620038.db2.gz FZXGAWYWLMKEOY-ROUUACIJSA-N 1 0 401.463 -0.046 20 0 HBADRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000494707208 1071619974 /nfs/dbraw/zinc/61/99/74/1071619974.db2.gz FZXGAWYWLMKEOY-ZWKOTPCHSA-N 1 0 401.463 -0.046 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000494721887 1071620597 /nfs/dbraw/zinc/62/05/97/1071620597.db2.gz NVVOAWRGVRSILA-CYBMUJFWSA-N 1 0 404.514 -0.324 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000494721888 1071620710 /nfs/dbraw/zinc/62/07/10/1071620710.db2.gz NVVOAWRGVRSILA-ZDUSSCGKSA-N 1 0 404.514 -0.324 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1CC(C)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746925 1071622481 /nfs/dbraw/zinc/62/24/81/1071622481.db2.gz RFISZGNRUJIOLG-HOTGVXAUSA-N 1 0 410.606 -0.350 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1CC(C)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494746926 1071622426 /nfs/dbraw/zinc/62/24/26/1071622426.db2.gz RFISZGNRUJIOLG-HZPDHXFCSA-N 1 0 410.606 -0.350 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C[C@H](C)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746927 1071622273 /nfs/dbraw/zinc/62/22/73/1071622273.db2.gz RFISZGNRUJIOLG-MUJYYYPQSA-N 1 0 410.606 -0.350 20 0 HBADRO C[NH+](C)CCOc1cnccc1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000494752556 1071622850 /nfs/dbraw/zinc/62/28/50/1071622850.db2.gz KONDEVPLRHKXFG-UHFFFAOYSA-N 1 0 424.483 -0.956 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N(CC[NH+](C)C)Cc1cccc(O)c1)c(=O)n2C ZINC000494779255 1071623601 /nfs/dbraw/zinc/62/36/01/1071623601.db2.gz BAQIRTZEVIPRPI-UHFFFAOYSA-N 1 0 414.466 -0.270 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000494845852 1071628713 /nfs/dbraw/zinc/62/87/13/1071628713.db2.gz OIDGWVDHNHYEGI-IBGZPJMESA-N 1 0 411.547 -0.056 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000494845859 1071628537 /nfs/dbraw/zinc/62/85/37/1071628537.db2.gz OIDGWVDHNHYEGI-LJQANCHMSA-N 1 0 411.547 -0.056 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nn1 ZINC000494941813 1071633901 /nfs/dbraw/zinc/63/39/01/1071633901.db2.gz PQUABOJYHHDREE-DLBZAZTESA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nn1 ZINC000494941814 1071633930 /nfs/dbraw/zinc/63/39/30/1071633930.db2.gz PQUABOJYHHDREE-IAGOWNOFSA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nn1 ZINC000494941815 1071633814 /nfs/dbraw/zinc/63/38/14/1071633814.db2.gz PQUABOJYHHDREE-IRXDYDNUSA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nn1 ZINC000494941816 1071633751 /nfs/dbraw/zinc/63/37/51/1071633751.db2.gz PQUABOJYHHDREE-SJORKVTESA-N 1 0 400.483 -0.021 20 0 HBADRO CNC(=O)CCOC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000494982889 1071635431 /nfs/dbraw/zinc/63/54/31/1071635431.db2.gz YUWYHSUESYRYCG-UHFFFAOYSA-N 1 0 406.487 -0.559 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000495001687 1071636422 /nfs/dbraw/zinc/63/64/22/1071636422.db2.gz TZJGVXWERYSYNT-KBPBESRZSA-N 1 0 413.519 -0.315 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000495001688 1071636082 /nfs/dbraw/zinc/63/60/82/1071636082.db2.gz TZJGVXWERYSYNT-KGLIPLIRSA-N 1 0 413.519 -0.315 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000495001689 1071636152 /nfs/dbraw/zinc/63/61/52/1071636152.db2.gz TZJGVXWERYSYNT-UONOGXRCSA-N 1 0 413.519 -0.315 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000495001690 1071636177 /nfs/dbraw/zinc/63/61/77/1071636177.db2.gz TZJGVXWERYSYNT-ZIAGYGMSSA-N 1 0 413.519 -0.315 20 0 HBADRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000495059825 1071643667 /nfs/dbraw/zinc/64/36/67/1071643667.db2.gz OQWVCDAOQMMIKC-KRWDZBQOSA-N 1 0 424.542 -0.347 20 0 HBADRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000495059828 1071643730 /nfs/dbraw/zinc/64/37/30/1071643730.db2.gz OQWVCDAOQMMIKC-QGZVFWFLSA-N 1 0 424.542 -0.347 20 0 HBADRO C[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C2(CCCCC2)C1 ZINC000495073100 1069722917 /nfs/dbraw/zinc/72/29/17/1069722917.db2.gz HLPZGTHRXJKWKH-UHFFFAOYSA-N 1 0 421.586 -0.060 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000495095854 1071648321 /nfs/dbraw/zinc/64/83/21/1071648321.db2.gz ZCSPJWMVIXGHNA-CABCVRRESA-N 1 0 403.549 -0.826 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000495095855 1071648247 /nfs/dbraw/zinc/64/82/47/1071648247.db2.gz ZCSPJWMVIXGHNA-GJZGRUSLSA-N 1 0 403.549 -0.826 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000495095856 1071648269 /nfs/dbraw/zinc/64/82/69/1071648269.db2.gz ZCSPJWMVIXGHNA-HUUCEWRRSA-N 1 0 403.549 -0.826 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000495095857 1071648372 /nfs/dbraw/zinc/64/83/72/1071648372.db2.gz ZCSPJWMVIXGHNA-LSDHHAIUSA-N 1 0 403.549 -0.826 20 0 HBADRO C[NH+](C)CCCOc1cnccc1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000495098241 1071648312 /nfs/dbraw/zinc/64/83/12/1071648312.db2.gz MOQXQCWLICZKMS-UHFFFAOYSA-N 1 0 413.544 -0.395 20 0 HBADRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000495183916 1071651380 /nfs/dbraw/zinc/65/13/80/1071651380.db2.gz ZMBTUAVYVVRAQG-UHFFFAOYSA-N 1 0 403.526 -0.312 20 0 HBADRO CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000495192353 1071651996 /nfs/dbraw/zinc/65/19/96/1071651996.db2.gz LATHYEPPFPJVPT-KRWDZBQOSA-N 1 0 400.501 -0.029 20 0 HBADRO CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000495192360 1071651913 /nfs/dbraw/zinc/65/19/13/1071651913.db2.gz LATHYEPPFPJVPT-QGZVFWFLSA-N 1 0 400.501 -0.029 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000495227188 1071654361 /nfs/dbraw/zinc/65/43/61/1071654361.db2.gz WXNODUJNCZEXRE-INIZCTEOSA-N 1 0 409.531 -0.038 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000495227190 1071654243 /nfs/dbraw/zinc/65/42/43/1071654243.db2.gz WXNODUJNCZEXRE-MRXNPFEDSA-N 1 0 409.531 -0.038 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cc2n(C)c1=O ZINC000495310084 1071665082 /nfs/dbraw/zinc/66/50/82/1071665082.db2.gz NDVLKLNUQDWGLO-UHFFFAOYSA-N 1 0 402.499 -0.042 20 0 HBADRO CCN1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C(=O)C1=O ZINC000495311517 1071664594 /nfs/dbraw/zinc/66/45/94/1071664594.db2.gz BLBIRUPQGXPNEX-UHFFFAOYSA-N 1 0 421.542 -0.482 20 0 HBADRO O=C(CN1CCCS1(=O)=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000495329311 1071666352 /nfs/dbraw/zinc/66/63/52/1071666352.db2.gz JEEFLXXCOUYHRZ-UHFFFAOYSA-N 1 0 400.545 -0.137 20 0 HBADRO CCN1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)C(=O)C1=O ZINC000495329530 1071666229 /nfs/dbraw/zinc/66/62/29/1071666229.db2.gz OJVDJBOJEOKBJW-UHFFFAOYSA-N 1 0 423.558 -0.236 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000495368898 1069723055 /nfs/dbraw/zinc/72/30/55/1069723055.db2.gz LTFKJRUHTJSRMG-UHFFFAOYSA-N 1 0 417.576 -0.100 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ncccc1O ZINC000495447254 1071677011 /nfs/dbraw/zinc/67/70/11/1071677011.db2.gz GQPTVLNXMJPRSW-INIZCTEOSA-N 1 0 413.478 -0.078 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000495448964 1071677019 /nfs/dbraw/zinc/67/70/19/1071677019.db2.gz YXQXTJHLAMJLIX-INIZCTEOSA-N 1 0 423.477 -0.153 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC000495456649 1071677510 /nfs/dbraw/zinc/67/75/10/1071677510.db2.gz HAPRJZWWNXGKQQ-HNNXBMFYSA-N 1 0 408.480 -0.054 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000495456789 1071677383 /nfs/dbraw/zinc/67/73/83/1071677383.db2.gz JOCUCNXKTXPKAT-INIZCTEOSA-N 1 0 419.507 -0.252 20 0 HBADRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000495471145 1071678132 /nfs/dbraw/zinc/67/81/32/1071678132.db2.gz SNCKJYJQYIVYSW-PBHICJAKSA-N 1 0 410.540 -0.166 20 0 HBADRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000495471146 1071678082 /nfs/dbraw/zinc/67/80/82/1071678082.db2.gz SNCKJYJQYIVYSW-RHSMWYFYSA-N 1 0 410.540 -0.166 20 0 HBADRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000495471147 1071678149 /nfs/dbraw/zinc/67/81/49/1071678149.db2.gz SNCKJYJQYIVYSW-WMLDXEAASA-N 1 0 410.540 -0.166 20 0 HBADRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000495471148 1071678092 /nfs/dbraw/zinc/67/80/92/1071678092.db2.gz SNCKJYJQYIVYSW-YOEHRIQHSA-N 1 0 410.540 -0.166 20 0 HBADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000495471212 1071678166 /nfs/dbraw/zinc/67/81/66/1071678166.db2.gz UHUDZWUNYXTWFX-DOMZBBRYSA-N 1 0 406.512 -0.114 20 0 HBADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000495471213 1071678059 /nfs/dbraw/zinc/67/80/59/1071678059.db2.gz UHUDZWUNYXTWFX-IUODEOHRSA-N 1 0 406.512 -0.114 20 0 HBADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000495471214 1071678034 /nfs/dbraw/zinc/67/80/34/1071678034.db2.gz UHUDZWUNYXTWFX-SWLSCSKDSA-N 1 0 406.512 -0.114 20 0 HBADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000495471215 1071678174 /nfs/dbraw/zinc/67/81/74/1071678174.db2.gz UHUDZWUNYXTWFX-WFASDCNBSA-N 1 0 406.512 -0.114 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C(=O)C1=O ZINC000495505508 1071680451 /nfs/dbraw/zinc/68/04/51/1071680451.db2.gz IKMLDWQWTWBGGW-UHFFFAOYSA-N 1 0 401.511 -0.259 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000495596169 1071688766 /nfs/dbraw/zinc/68/87/66/1071688766.db2.gz VSJXDOGHRPGGGC-JSGCOSHPSA-N 1 0 401.533 -0.042 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000495596170 1071688734 /nfs/dbraw/zinc/68/87/34/1071688734.db2.gz VSJXDOGHRPGGGC-OCCSQVGLSA-N 1 0 401.533 -0.042 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000495605967 1071690605 /nfs/dbraw/zinc/69/06/05/1071690605.db2.gz HQNWHXNYLGFJJJ-HNNXBMFYSA-N 1 0 419.530 -0.786 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000495605972 1071690728 /nfs/dbraw/zinc/69/07/28/1071690728.db2.gz HQNWHXNYLGFJJJ-OAHLLOKOSA-N 1 0 419.530 -0.786 20 0 HBADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C[NH+]1CCN(C)CC1 ZINC000495651125 1071693550 /nfs/dbraw/zinc/69/35/50/1071693550.db2.gz AHESAMGZIKITPO-HNNXBMFYSA-N 1 0 413.544 -0.351 20 0 HBADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C[NH+]1CCN(C)CC1 ZINC000495651126 1071693941 /nfs/dbraw/zinc/69/39/41/1071693941.db2.gz AHESAMGZIKITPO-OAHLLOKOSA-N 1 0 413.544 -0.351 20 0 HBADRO CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C[C@@H]1[NH+](C)C ZINC000495669224 1071695215 /nfs/dbraw/zinc/69/52/15/1071695215.db2.gz HEZVBVAKFIJOCR-BYCMXARLSA-N 1 0 414.553 -0.044 20 0 HBADRO CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C[C@H]1[NH+](C)C ZINC000495669230 1071695251 /nfs/dbraw/zinc/69/52/51/1071695251.db2.gz HEZVBVAKFIJOCR-KCPJHIHWSA-N 1 0 414.553 -0.044 20 0 HBADRO CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C[C@H]1[NH+](C)C ZINC000495669232 1071694972 /nfs/dbraw/zinc/69/49/72/1071694972.db2.gz HEZVBVAKFIJOCR-NILFDRSVSA-N 1 0 414.553 -0.044 20 0 HBADRO CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C[C@@H]1[NH+](C)C ZINC000495669234 1071695139 /nfs/dbraw/zinc/69/51/39/1071695139.db2.gz HEZVBVAKFIJOCR-TUKIKUTGSA-N 1 0 414.553 -0.044 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000495804276 1071713091 /nfs/dbraw/zinc/71/30/91/1071713091.db2.gz MZZNYKSUPIQVPK-UHFFFAOYSA-N 1 0 419.530 -0.692 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cnc2n(C)c1=O ZINC000496034586 1071721688 /nfs/dbraw/zinc/72/16/88/1071721688.db2.gz SQMAJQHIFALLDQ-BXUZGUMPSA-N 1 0 400.439 -0.877 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cnc2n(C)c1=O ZINC000496034587 1071721618 /nfs/dbraw/zinc/72/16/18/1071721618.db2.gz SQMAJQHIFALLDQ-FZMZJTMJSA-N 1 0 400.439 -0.877 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cnc2n(C)c1=O ZINC000496034588 1071721668 /nfs/dbraw/zinc/72/16/68/1071721668.db2.gz SQMAJQHIFALLDQ-RISCZKNCSA-N 1 0 400.439 -0.877 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cnc2n(C)c1=O ZINC000496034589 1071721575 /nfs/dbraw/zinc/72/15/75/1071721575.db2.gz SQMAJQHIFALLDQ-SMDDNHRTSA-N 1 0 400.439 -0.877 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057443 1071723025 /nfs/dbraw/zinc/72/30/25/1071723025.db2.gz YNIHKTALZOCAKC-CRAIPNDOSA-N 1 0 414.510 -0.040 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057446 1071722987 /nfs/dbraw/zinc/72/29/87/1071722987.db2.gz YNIHKTALZOCAKC-MAUKXSAKSA-N 1 0 414.510 -0.040 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057447 1071723096 /nfs/dbraw/zinc/72/30/96/1071723096.db2.gz YNIHKTALZOCAKC-QAPCUYQASA-N 1 0 414.510 -0.040 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057448 1071722942 /nfs/dbraw/zinc/72/29/42/1071722942.db2.gz YNIHKTALZOCAKC-YJBOKZPZSA-N 1 0 414.510 -0.040 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000496087222 1071727057 /nfs/dbraw/zinc/72/70/57/1071727057.db2.gz FXBGXZFSIAAIAJ-GDBMZVCRSA-N 1 0 404.471 -0.767 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000496087223 1071727209 /nfs/dbraw/zinc/72/72/09/1071727209.db2.gz FXBGXZFSIAAIAJ-GOEBONIOSA-N 1 0 404.471 -0.767 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000496087224 1071727195 /nfs/dbraw/zinc/72/71/95/1071727195.db2.gz FXBGXZFSIAAIAJ-HOCLYGCPSA-N 1 0 404.471 -0.767 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000496087225 1071727084 /nfs/dbraw/zinc/72/70/84/1071727084.db2.gz FXBGXZFSIAAIAJ-ZBFHGGJFSA-N 1 0 404.471 -0.767 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000496126183 1071728981 /nfs/dbraw/zinc/72/89/81/1071728981.db2.gz DJKOPLFDMSQNPN-DLBZAZTESA-N 1 0 410.515 -0.595 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000496145640 1071747272 /nfs/dbraw/zinc/74/72/72/1071747272.db2.gz DAXBRNYRUSNLPN-DLBZAZTESA-N 1 0 408.499 -0.841 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000496151514 1071747174 /nfs/dbraw/zinc/74/71/74/1071747174.db2.gz QEOTWUDXUFKPMF-UHFFFAOYSA-N 1 0 423.539 -0.826 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000496201979 1071748383 /nfs/dbraw/zinc/74/83/83/1071748383.db2.gz BQYFVHKHGKWMFL-HRCADAONSA-N 1 0 406.549 -0.429 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000496201986 1071748176 /nfs/dbraw/zinc/74/81/76/1071748176.db2.gz BQYFVHKHGKWMFL-JYJNAYRXSA-N 1 0 406.549 -0.429 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@H](C)C1 ZINC000496201987 1071748330 /nfs/dbraw/zinc/74/83/30/1071748330.db2.gz BQYFVHKHGKWMFL-OWCLPIDISA-N 1 0 406.549 -0.429 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000496201988 1071748233 /nfs/dbraw/zinc/74/82/33/1071748233.db2.gz BQYFVHKHGKWMFL-PMPSAXMXSA-N 1 0 406.549 -0.429 20 0 HBADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496267175 1071749335 /nfs/dbraw/zinc/74/93/35/1071749335.db2.gz POPJJZVLLWBTSD-UHFFFAOYSA-N 1 0 411.591 -0.055 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2=O)n1 ZINC000496267725 1071749317 /nfs/dbraw/zinc/74/93/17/1071749317.db2.gz RORHFCFOSMSHMZ-HNNXBMFYSA-N 1 0 419.530 -0.826 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2=O)n1 ZINC000496267727 1071749250 /nfs/dbraw/zinc/74/92/50/1071749250.db2.gz RORHFCFOSMSHMZ-OAHLLOKOSA-N 1 0 419.530 -0.826 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC000496268753 1071749300 /nfs/dbraw/zinc/74/93/00/1071749300.db2.gz VUFITTBPMBCVPJ-UHFFFAOYSA-N 1 0 423.587 -0.109 20 0 HBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)n1 ZINC000496281536 1071749370 /nfs/dbraw/zinc/74/93/70/1071749370.db2.gz GFKZPKPKQHNMPT-UHFFFAOYSA-N 1 0 417.558 -0.116 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1(C)C ZINC000496282519 1071749457 /nfs/dbraw/zinc/74/94/57/1071749457.db2.gz JGFKYEUFGLIYHC-ZDUSSCGKSA-N 1 0 412.453 -0.737 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000496283628 1071749485 /nfs/dbraw/zinc/74/94/85/1071749485.db2.gz LXYRKWFFCKVEFU-INIZCTEOSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000496283629 1071749213 /nfs/dbraw/zinc/74/92/13/1071749213.db2.gz LXYRKWFFCKVEFU-MRXNPFEDSA-N 1 0 400.545 -0.093 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1(C)C ZINC000496287752 1071750038 /nfs/dbraw/zinc/75/00/38/1071750038.db2.gz XBOUFANGJKDARR-CYBMUJFWSA-N 1 0 421.464 -0.202 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1(C)C ZINC000496287754 1071749840 /nfs/dbraw/zinc/74/98/40/1071749840.db2.gz XBOUFANGJKDARR-ZDUSSCGKSA-N 1 0 421.464 -0.202 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496287764 1071750118 /nfs/dbraw/zinc/75/01/18/1071750118.db2.gz XDGFPAQIYUGTMQ-HNNXBMFYSA-N 1 0 417.576 -0.943 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496287765 1071749923 /nfs/dbraw/zinc/74/99/23/1071749923.db2.gz XDGFPAQIYUGTMQ-OAHLLOKOSA-N 1 0 417.576 -0.943 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)n1 ZINC000496302292 1071750703 /nfs/dbraw/zinc/75/07/03/1071750703.db2.gz DHZDWESCGBSERD-UHFFFAOYSA-N 1 0 403.531 -0.424 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)ncn1 ZINC000496306261 1071750066 /nfs/dbraw/zinc/75/00/66/1071750066.db2.gz ILZJYVMSUGEFTQ-UHFFFAOYSA-N 1 0 419.530 -0.724 20 0 HBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496307643 1071749960 /nfs/dbraw/zinc/74/99/60/1071749960.db2.gz JTWZVURJTKLBRX-CVEARBPZSA-N 1 0 400.520 -0.935 20 0 HBADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496307665 1071749893 /nfs/dbraw/zinc/74/98/93/1071749893.db2.gz JTWZVURJTKLBRX-HOTGVXAUSA-N 1 0 400.520 -0.935 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496308151 1071750094 /nfs/dbraw/zinc/75/00/94/1071750094.db2.gz JTWZVURJTKLBRX-HZPDHXFCSA-N 1 0 400.520 -0.935 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496308152 1071750010 /nfs/dbraw/zinc/75/00/10/1071750010.db2.gz JTWZVURJTKLBRX-JKSUJKDBSA-N 1 0 400.520 -0.935 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1(C)C ZINC000496311929 1071750733 /nfs/dbraw/zinc/75/07/33/1071750733.db2.gz NRGLHJKKOSHEBI-KRWDZBQOSA-N 1 0 416.526 -0.165 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1(C)C ZINC000496311937 1071750633 /nfs/dbraw/zinc/75/06/33/1071750633.db2.gz NRGLHJKKOSHEBI-QGZVFWFLSA-N 1 0 416.526 -0.165 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1c1ncc[nH]1 ZINC000496315083 1071750563 /nfs/dbraw/zinc/75/05/63/1071750563.db2.gz RLLFLUSMFGYRHR-INIZCTEOSA-N 1 0 405.547 -0.243 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1c1ncc[nH]1 ZINC000496315084 1071750511 /nfs/dbraw/zinc/75/05/11/1071750511.db2.gz RLLFLUSMFGYRHR-MRXNPFEDSA-N 1 0 405.547 -0.243 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1(C)C ZINC000496317695 1071750467 /nfs/dbraw/zinc/75/04/67/1071750467.db2.gz APDHVHUGHGBPPK-UHFFFAOYSA-N 1 0 402.543 -0.132 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496320598 1071750659 /nfs/dbraw/zinc/75/06/59/1071750659.db2.gz DJVNVEYAWYVGHN-UHFFFAOYSA-N 1 0 403.531 -0.424 20 0 HBADRO Cc1cc(N2CCC(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)n[nH]1 ZINC000496321289 1071751139 /nfs/dbraw/zinc/75/11/39/1071751139.db2.gz FHCONGNMVFXVRP-UHFFFAOYSA-N 1 0 405.547 -0.055 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2CO)cn1 ZINC000496322187 1071751066 /nfs/dbraw/zinc/75/10/66/1071751066.db2.gz GKVXKIKZARWONF-IRXDYDNUSA-N 1 0 406.531 -0.903 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496322948 1071751247 /nfs/dbraw/zinc/75/12/47/1071751247.db2.gz HCXCTFMZHHCJFD-DLBZAZTESA-N 1 0 414.547 -0.999 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496322953 1071751304 /nfs/dbraw/zinc/75/13/04/1071751304.db2.gz HCXCTFMZHHCJFD-IAGOWNOFSA-N 1 0 414.547 -0.999 20 0 HBADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496322954 1071751318 /nfs/dbraw/zinc/75/13/18/1071751318.db2.gz HCXCTFMZHHCJFD-IRXDYDNUSA-N 1 0 414.547 -0.999 20 0 HBADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496322955 1071751097 /nfs/dbraw/zinc/75/10/97/1071751097.db2.gz HCXCTFMZHHCJFD-SJORKVTESA-N 1 0 414.547 -0.999 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1(C)C ZINC000496328278 1071751267 /nfs/dbraw/zinc/75/12/67/1071751267.db2.gz MLHBONOSIVSUFD-UHFFFAOYSA-N 1 0 410.563 -0.219 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496328438 1071751192 /nfs/dbraw/zinc/75/11/92/1071751192.db2.gz MPWXLZBRWZWTMZ-INIZCTEOSA-N 1 0 405.547 -0.353 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496328441 1071751216 /nfs/dbraw/zinc/75/12/16/1071751216.db2.gz MPWXLZBRWZWTMZ-MRXNPFEDSA-N 1 0 405.547 -0.353 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1(C)C ZINC000496330471 1071750581 /nfs/dbraw/zinc/75/05/81/1071750581.db2.gz OWESQJKHFNJTMY-UHFFFAOYSA-N 1 0 407.494 -0.594 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1(C)C ZINC000496333786 1071751780 /nfs/dbraw/zinc/75/17/80/1071751780.db2.gz TYFVAUGEIVRIES-UHFFFAOYSA-N 1 0 416.569 -0.090 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496333874 1071751765 /nfs/dbraw/zinc/75/17/65/1071751765.db2.gz UIYPZVPUOAJQCX-UHFFFAOYSA-N 1 0 411.547 -0.776 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(Oc3cnccn3)CC2)CC1(C)C ZINC000496334800 1071751722 /nfs/dbraw/zinc/75/17/22/1071751722.db2.gz WZYZSHAYHIXNSL-UHFFFAOYSA-N 1 0 404.515 -0.011 20 0 HBADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)n(C)n1 ZINC000496335057 1071752112 /nfs/dbraw/zinc/75/21/12/1071752112.db2.gz ZBAYMKKHHTWKOC-KRWDZBQOSA-N 1 0 419.574 -0.044 20 0 HBADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)n(C)n1 ZINC000496335058 1071751753 /nfs/dbraw/zinc/75/17/53/1071751753.db2.gz ZBAYMKKHHTWKOC-QGZVFWFLSA-N 1 0 419.574 -0.044 20 0 HBADRO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)n1 ZINC000496346908 1071752779 /nfs/dbraw/zinc/75/27/79/1071752779.db2.gz OBZXPCJTXNNEDN-HNNXBMFYSA-N 1 0 421.546 -0.016 20 0 HBADRO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)n1 ZINC000496346917 1071752622 /nfs/dbraw/zinc/75/26/22/1071752622.db2.gz OBZXPCJTXNNEDN-OAHLLOKOSA-N 1 0 421.546 -0.016 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC000496350175 1071751350 /nfs/dbraw/zinc/75/13/50/1071751350.db2.gz TXAUEFYHOAUYIQ-UHFFFAOYSA-N 1 0 405.499 -0.294 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496358272 1071751793 /nfs/dbraw/zinc/75/17/93/1071751793.db2.gz JHHLFTBMJWERGR-KRWDZBQOSA-N 1 0 424.590 -0.813 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496358273 1071751938 /nfs/dbraw/zinc/75/19/38/1071751938.db2.gz JHHLFTBMJWERGR-QGZVFWFLSA-N 1 0 424.590 -0.813 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000496360768 1071751914 /nfs/dbraw/zinc/75/19/14/1071751914.db2.gz LURWMNUYHSQELN-UHFFFAOYSA-N 1 0 402.543 -0.132 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)no1 ZINC000496360966 1071751742 /nfs/dbraw/zinc/75/17/42/1071751742.db2.gz MNWDJVFXTUGTER-UHFFFAOYSA-N 1 0 406.531 -0.231 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000496361989 1071752005 /nfs/dbraw/zinc/75/20/05/1071752005.db2.gz NWWXUUMMBQPMNV-INIZCTEOSA-N 1 0 411.547 -0.776 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000496361992 1071751827 /nfs/dbraw/zinc/75/18/27/1071751827.db2.gz NWWXUUMMBQPMNV-MRXNPFEDSA-N 1 0 411.547 -0.776 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)on1 ZINC000496367318 1071752668 /nfs/dbraw/zinc/75/26/68/1071752668.db2.gz XDWYFYURWBUHOE-UHFFFAOYSA-N 1 0 406.531 -0.231 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1(C)C ZINC000496377699 1071752730 /nfs/dbraw/zinc/75/27/30/1071752730.db2.gz LNRUWAAKEZYKNH-UHFFFAOYSA-N 1 0 416.526 -0.492 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)CC1(C)C ZINC000496378461 1071752716 /nfs/dbraw/zinc/75/27/16/1071752716.db2.gz LZSGLAQXRBQFTN-UHFFFAOYSA-N 1 0 408.572 -0.071 20 0 HBADRO COc1cc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1OCCO ZINC000496384801 1071752686 /nfs/dbraw/zinc/75/26/86/1071752686.db2.gz ZKUNZUZFIGOERQ-UHFFFAOYSA-N 1 0 422.526 -0.175 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC000496392344 1071753524 /nfs/dbraw/zinc/75/35/24/1071753524.db2.gz BYWQLXADOWJWDB-UHFFFAOYSA-N 1 0 419.530 -0.724 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496393001 1071753462 /nfs/dbraw/zinc/75/34/62/1071753462.db2.gz FXNWQBUMMPZHNW-UHFFFAOYSA-N 1 0 405.547 -0.794 20 0 HBADRO CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000496393263 1071753432 /nfs/dbraw/zinc/75/34/32/1071753432.db2.gz GQZNGUNSUTUHAU-HNNXBMFYSA-N 1 0 404.577 -0.200 20 0 HBADRO CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)CS(=O)(=O)CC ZINC000496393264 1071753329 /nfs/dbraw/zinc/75/33/29/1071753329.db2.gz GQZNGUNSUTUHAU-OAHLLOKOSA-N 1 0 404.577 -0.200 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)cn1 ZINC000496397004 1071753317 /nfs/dbraw/zinc/75/33/17/1071753317.db2.gz VIHHNJTYAKIWBH-UHFFFAOYSA-N 1 0 405.547 -0.794 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1(C)C ZINC000496397373 1071753379 /nfs/dbraw/zinc/75/33/79/1071753379.db2.gz WQHHHORTQQRSEI-UHFFFAOYSA-N 1 0 403.531 -0.343 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1(C)C ZINC000496410347 1071754684 /nfs/dbraw/zinc/75/46/84/1071754684.db2.gz HJNOAJSLHTXCOR-GOSISDBHSA-N 1 0 409.575 -0.158 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1(C)C ZINC000496410348 1071754774 /nfs/dbraw/zinc/75/47/74/1071754774.db2.gz HJNOAJSLHTXCOR-SFHVURJKSA-N 1 0 409.575 -0.158 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496411751 1071754186 /nfs/dbraw/zinc/75/41/86/1071754186.db2.gz NWULMJSOQMMQPP-UHFFFAOYSA-N 1 0 424.590 -0.859 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)cn1 ZINC000496412130 1071754255 /nfs/dbraw/zinc/75/42/55/1071754255.db2.gz QDZXTVZMXGBPDP-INIZCTEOSA-N 1 0 405.547 -0.353 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)cn1 ZINC000496412132 1071753982 /nfs/dbraw/zinc/75/39/82/1071753982.db2.gz QDZXTVZMXGBPDP-MRXNPFEDSA-N 1 0 405.547 -0.353 20 0 HBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000496414152 1071754046 /nfs/dbraw/zinc/75/40/46/1071754046.db2.gz WCERCVCROJFJFJ-UHFFFAOYSA-N 1 0 403.527 -0.153 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(c3ccnn3CCO)CC2)CC1(C)C ZINC000496415175 1071754210 /nfs/dbraw/zinc/75/42/10/1071754210.db2.gz YFKGZZSRIFPNAZ-UHFFFAOYSA-N 1 0 420.558 -0.276 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1nnnn1-c1ccccc1 ZINC000496415643 1071754149 /nfs/dbraw/zinc/75/41/49/1071754149.db2.gz ZYWAGBPKTGBFJL-HNNXBMFYSA-N 1 0 414.514 -0.018 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1nnnn1-c1ccccc1 ZINC000496415644 1071754083 /nfs/dbraw/zinc/75/40/83/1071754083.db2.gz ZYWAGBPKTGBFJL-OAHLLOKOSA-N 1 0 414.514 -0.018 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H](C)O1 ZINC000496687934 1071759158 /nfs/dbraw/zinc/75/91/58/1071759158.db2.gz FPRHGIIAAOEVRG-FPCVCCKLSA-N 1 0 401.529 -0.363 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H](C)O1 ZINC000496687937 1071759279 /nfs/dbraw/zinc/75/92/79/1071759279.db2.gz FPRHGIIAAOEVRG-KLHDSHLOSA-N 1 0 401.529 -0.363 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H](C)O1 ZINC000496687938 1071759299 /nfs/dbraw/zinc/75/92/99/1071759299.db2.gz FPRHGIIAAOEVRG-QKPAOTATSA-N 1 0 401.529 -0.363 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H](C)O1 ZINC000496687939 1071759237 /nfs/dbraw/zinc/75/92/37/1071759237.db2.gz FPRHGIIAAOEVRG-QXSJWSMHSA-N 1 0 401.529 -0.363 20 0 HBADRO Cn1cnc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3cn(C)cn3)CC2)c1 ZINC000496723643 1071760929 /nfs/dbraw/zinc/76/09/29/1071760929.db2.gz RMYXZQWSHQIMGZ-UHFFFAOYSA-N 1 0 416.530 -0.289 20 0 HBADRO Cn1nccc1[C@H]1[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC(=O)N1C ZINC000497347839 1071784850 /nfs/dbraw/zinc/78/48/50/1071784850.db2.gz QGFFGPATGGLLSC-CRAIPNDOSA-N 1 0 405.499 -0.375 20 0 HBADRO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC(=O)N1C ZINC000497347842 1071784746 /nfs/dbraw/zinc/78/47/46/1071784746.db2.gz QGFFGPATGGLLSC-MAUKXSAKSA-N 1 0 405.499 -0.375 20 0 HBADRO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC(=O)N1C ZINC000497347843 1071784908 /nfs/dbraw/zinc/78/49/08/1071784908.db2.gz QGFFGPATGGLLSC-QAPCUYQASA-N 1 0 405.499 -0.375 20 0 HBADRO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC(=O)N1C ZINC000497347844 1071784883 /nfs/dbraw/zinc/78/48/83/1071784883.db2.gz QGFFGPATGGLLSC-YJBOKZPZSA-N 1 0 405.499 -0.375 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000497365018 1071786518 /nfs/dbraw/zinc/78/65/18/1071786518.db2.gz HHFIOKREHUUGIZ-UHFFFAOYSA-N 1 0 404.563 -0.123 20 0 HBADRO COC(=O)CNC(=O)CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497370449 1071787386 /nfs/dbraw/zinc/78/73/86/1071787386.db2.gz SVLIQVISFMPMBW-UHFFFAOYSA-N 1 0 403.423 -0.046 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CCO1 ZINC000497389268 1071789015 /nfs/dbraw/zinc/78/90/15/1071789015.db2.gz WOVOODDPVCMINN-AWEZNQCLSA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CCO1 ZINC000497389270 1071788833 /nfs/dbraw/zinc/78/88/33/1071788833.db2.gz WOVOODDPVCMINN-CQSZACIVSA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000497449540 1071792946 /nfs/dbraw/zinc/79/29/46/1071792946.db2.gz UKWSUPLKUAUURC-HDICACEKSA-N 1 0 417.620 -0.126 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000497449542 1071793211 /nfs/dbraw/zinc/79/32/11/1071793211.db2.gz UKWSUPLKUAUURC-QZTJIDSGSA-N 1 0 417.620 -0.126 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000497449543 1071792994 /nfs/dbraw/zinc/79/29/94/1071792994.db2.gz UKWSUPLKUAUURC-ROUUACIJSA-N 1 0 417.620 -0.126 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCN1C(=O)CNC1=O ZINC000497449876 1069108458 /nfs/dbraw/zinc/10/84/58/1069108458.db2.gz WCEIVNTYMCTDBD-UHFFFAOYSA-N 1 0 402.499 -0.003 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497455663 1071793804 /nfs/dbraw/zinc/79/38/04/1071793804.db2.gz AEWMIKITMJTPOG-PBHICJAKSA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497455666 1071793557 /nfs/dbraw/zinc/79/35/57/1071793557.db2.gz AEWMIKITMJTPOG-RHSMWYFYSA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497455669 1071793850 /nfs/dbraw/zinc/79/38/50/1071793850.db2.gz AEWMIKITMJTPOG-WMLDXEAASA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497455671 1071793637 /nfs/dbraw/zinc/79/36/37/1071793637.db2.gz AEWMIKITMJTPOG-YOEHRIQHSA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497460601 1071795405 /nfs/dbraw/zinc/79/54/05/1071795405.db2.gz HYOFDCLTZOMLJC-PBHICJAKSA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497460606 1071795377 /nfs/dbraw/zinc/79/53/77/1071795377.db2.gz HYOFDCLTZOMLJC-RHSMWYFYSA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497460611 1071796048 /nfs/dbraw/zinc/79/60/48/1071796048.db2.gz HYOFDCLTZOMLJC-WMLDXEAASA-N 1 0 414.510 -0.270 20 0 HBADRO C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497460614 1071795913 /nfs/dbraw/zinc/79/59/13/1071795913.db2.gz HYOFDCLTZOMLJC-YOEHRIQHSA-N 1 0 414.510 -0.270 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)C1 ZINC000497462065 1071795871 /nfs/dbraw/zinc/79/58/71/1071795871.db2.gz COXMBIZRCXVLAS-QGZVFWFLSA-N 1 0 419.592 -0.558 20 0 HBADRO C[C@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497464429 1071796569 /nfs/dbraw/zinc/79/65/69/1071796569.db2.gz QGZYNTDWMKRIQB-DOTOQJQBSA-N 1 0 416.526 -0.477 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497464439 1071796664 /nfs/dbraw/zinc/79/66/64/1071796664.db2.gz QGZYNTDWMKRIQB-NVXWUHKLSA-N 1 0 416.526 -0.477 20 0 HBADRO C[C@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497464442 1071796486 /nfs/dbraw/zinc/79/64/86/1071796486.db2.gz QGZYNTDWMKRIQB-RDJZCZTQSA-N 1 0 416.526 -0.477 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497464444 1071796652 /nfs/dbraw/zinc/79/66/52/1071796652.db2.gz QGZYNTDWMKRIQB-WBVHZDCISA-N 1 0 416.526 -0.477 20 0 HBADRO C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465561 1071796562 /nfs/dbraw/zinc/79/65/62/1071796562.db2.gz SDPBETVRRNYEEN-DLBZAZTESA-N 1 0 401.577 -0.952 20 0 HBADRO C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497465578 1071796579 /nfs/dbraw/zinc/79/65/79/1071796579.db2.gz SDPBETVRRNYEEN-IAGOWNOFSA-N 1 0 401.577 -0.952 20 0 HBADRO C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465580 1071796494 /nfs/dbraw/zinc/79/64/94/1071796494.db2.gz SDPBETVRRNYEEN-IRXDYDNUSA-N 1 0 401.577 -0.952 20 0 HBADRO C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497465581 1069109564 /nfs/dbraw/zinc/10/95/64/1069109564.db2.gz SDPBETVRRNYEEN-SJORKVTESA-N 1 0 401.577 -0.952 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497478507 1071797223 /nfs/dbraw/zinc/79/72/23/1071797223.db2.gz GCDDTZIAHLEUMY-DLBZAZTESA-N 1 0 419.592 -0.464 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497478513 1071797180 /nfs/dbraw/zinc/79/71/80/1071797180.db2.gz GCDDTZIAHLEUMY-IAGOWNOFSA-N 1 0 419.592 -0.464 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497478514 1071797294 /nfs/dbraw/zinc/79/72/94/1071797294.db2.gz GCDDTZIAHLEUMY-IRXDYDNUSA-N 1 0 419.592 -0.464 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497478515 1071797058 /nfs/dbraw/zinc/79/70/58/1071797058.db2.gz GCDDTZIAHLEUMY-SJORKVTESA-N 1 0 419.592 -0.464 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000497486868 1071796471 /nfs/dbraw/zinc/79/64/71/1071796471.db2.gz CNBOPBZVRIKIOM-YOFSQIOKSA-N 1 0 420.602 -0.538 20 0 HBADRO COCCCNC(=O)C1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000497496344 1071798357 /nfs/dbraw/zinc/79/83/57/1071798357.db2.gz PWMIXQWMBIKRLK-UHFFFAOYSA-N 1 0 404.515 -0.010 20 0 HBADRO COCCCNC(=O)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000497496399 1071798224 /nfs/dbraw/zinc/79/82/24/1071798224.db2.gz QIVVAFPVLBRGSE-UHFFFAOYSA-N 1 0 406.487 -0.702 20 0 HBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497500216 1071797692 /nfs/dbraw/zinc/79/76/92/1071797692.db2.gz VQHNZIQVILMIGL-KRWDZBQOSA-N 1 0 419.592 -0.510 20 0 HBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000497500217 1071797954 /nfs/dbraw/zinc/79/79/54/1071797954.db2.gz VQHNZIQVILMIGL-QGZVFWFLSA-N 1 0 419.592 -0.510 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000497501177 1071797897 /nfs/dbraw/zinc/79/78/97/1071797897.db2.gz QIIAXLKUAXBABI-UHFFFAOYSA-N 1 0 423.539 -0.874 20 0 HBADRO Cn1cc(CN2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cn1 ZINC000497501551 1071797638 /nfs/dbraw/zinc/79/76/38/1071797638.db2.gz CASYDCGTDKIUJO-ZWKOTPCHSA-N 1 0 405.499 -0.139 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000497502527 1071797799 /nfs/dbraw/zinc/79/77/99/1071797799.db2.gz IDOQADMLYUUCQY-UHFFFAOYSA-N 1 0 409.453 -0.207 20 0 HBADRO CCn1c(N)c(C(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=O)[nH]c1=O ZINC000497503064 1071797940 /nfs/dbraw/zinc/79/79/40/1071797940.db2.gz JCYLWVINYLAYIR-YIONKMFJSA-N 1 0 404.515 -0.024 20 0 HBADRO CNC(=O)CN1CCC([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497552617 1071802584 /nfs/dbraw/zinc/80/25/84/1071802584.db2.gz DWAAMTIJPRXVGX-UHFFFAOYSA-N 1 0 412.560 -0.020 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000497624145 1071807826 /nfs/dbraw/zinc/80/78/26/1071807826.db2.gz VLBHEAQTVTVKQA-KRWDZBQOSA-N 1 0 419.592 -0.246 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000497624146 1071808325 /nfs/dbraw/zinc/80/83/25/1071808325.db2.gz VLBHEAQTVTVKQA-QGZVFWFLSA-N 1 0 419.592 -0.246 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000497630247 1069117713 /nfs/dbraw/zinc/11/77/13/1069117713.db2.gz WAALXUKQUJCDQI-UHFFFAOYSA-N 1 0 407.606 -0.356 20 0 HBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497644449 1071810829 /nfs/dbraw/zinc/81/08/29/1071810829.db2.gz ABGBINAQEDDPML-UHFFFAOYSA-N 1 0 401.467 -0.117 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC000497658033 1071812118 /nfs/dbraw/zinc/81/21/18/1071812118.db2.gz VANODMGHPUCHRY-DOTOQJQBSA-N 1 0 415.560 -0.237 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC000497658034 1071812046 /nfs/dbraw/zinc/81/20/46/1071812046.db2.gz VANODMGHPUCHRY-NVXWUHKLSA-N 1 0 415.560 -0.237 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC000497658035 1071811902 /nfs/dbraw/zinc/81/19/02/1071811902.db2.gz VANODMGHPUCHRY-RDJZCZTQSA-N 1 0 415.560 -0.237 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC000497658036 1071812010 /nfs/dbraw/zinc/81/20/10/1071812010.db2.gz VANODMGHPUCHRY-WBVHZDCISA-N 1 0 415.560 -0.237 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497663426 1071812613 /nfs/dbraw/zinc/81/26/13/1071812613.db2.gz BVMZBPHQFVEUOH-UHFFFAOYSA-N 1 0 415.494 -0.121 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000497670086 1071813313 /nfs/dbraw/zinc/81/33/13/1071813313.db2.gz FUUHKCMCFFHZBM-GOSISDBHSA-N 1 0 422.574 -0.183 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000497670087 1071813417 /nfs/dbraw/zinc/81/34/17/1071813417.db2.gz FUUHKCMCFFHZBM-SFHVURJKSA-N 1 0 422.574 -0.183 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)C2)cn1 ZINC000497713553 1071817785 /nfs/dbraw/zinc/81/77/85/1071817785.db2.gz LYPYELFEMSONPU-INIZCTEOSA-N 1 0 406.531 -0.190 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)C2)cn1 ZINC000497713554 1071817724 /nfs/dbraw/zinc/81/77/24/1071817724.db2.gz LYPYELFEMSONPU-MRXNPFEDSA-N 1 0 406.531 -0.190 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497718614 1071816293 /nfs/dbraw/zinc/81/62/93/1071816293.db2.gz DWTSACCSKBYWTD-KRWDZBQOSA-N 1 0 405.547 -0.399 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497718617 1071816389 /nfs/dbraw/zinc/81/63/89/1071816389.db2.gz DWTSACCSKBYWTD-QGZVFWFLSA-N 1 0 405.547 -0.399 20 0 HBADRO Cn1c2ncn(CCC(=O)Nc3ccnc(OCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000497718787 1071816334 /nfs/dbraw/zinc/81/63/34/1071816334.db2.gz BTROSWJZRKESDJ-UHFFFAOYSA-N 1 0 415.454 -0.202 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000497725268 1071817127 /nfs/dbraw/zinc/81/71/27/1071817127.db2.gz JPVIQOLVMBZSPT-INIZCTEOSA-N 1 0 413.544 -0.656 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000497725269 1071817055 /nfs/dbraw/zinc/81/70/55/1071817055.db2.gz JPVIQOLVMBZSPT-MRXNPFEDSA-N 1 0 413.544 -0.656 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2)CC1 ZINC000497725580 1071817175 /nfs/dbraw/zinc/81/71/75/1071817175.db2.gz MXRJBRFPIZYSKP-MSOLQXFVSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2)CC1 ZINC000497725581 1071816978 /nfs/dbraw/zinc/81/69/78/1071816978.db2.gz MXRJBRFPIZYSKP-QZTJIDSGSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2)CC1 ZINC000497725582 1071817085 /nfs/dbraw/zinc/81/70/85/1071817085.db2.gz MXRJBRFPIZYSKP-ROUUACIJSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2)CC1 ZINC000497725583 1071817260 /nfs/dbraw/zinc/81/72/60/1071817260.db2.gz MXRJBRFPIZYSKP-ZWKOTPCHSA-N 1 0 417.558 -0.257 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725751 1071817279 /nfs/dbraw/zinc/81/72/79/1071817279.db2.gz ONUQSCSQAHDZHV-KRWDZBQOSA-N 1 0 419.574 -0.011 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725752 1071817188 /nfs/dbraw/zinc/81/71/88/1071817188.db2.gz ONUQSCSQAHDZHV-QGZVFWFLSA-N 1 0 419.574 -0.011 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)cc2)CC1 ZINC000497729550 1071819147 /nfs/dbraw/zinc/81/91/47/1071819147.db2.gz FDRBXCJNPUJSLQ-UHFFFAOYSA-N 1 0 417.466 -0.180 20 0 HBADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497736844 1071818407 /nfs/dbraw/zinc/81/84/07/1071818407.db2.gz DTEYKGZMKABGAV-UHFFFAOYSA-N 1 0 402.451 -0.172 20 0 HBADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497738289 1071818439 /nfs/dbraw/zinc/81/84/39/1071818439.db2.gz PZEZWGXTZSHOOH-HNNXBMFYSA-N 1 0 401.467 -0.118 20 0 HBADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497738290 1071818455 /nfs/dbraw/zinc/81/84/55/1071818455.db2.gz PZEZWGXTZSHOOH-OAHLLOKOSA-N 1 0 401.467 -0.118 20 0 HBADRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cn(CCO)c(=O)[nH]c3=O)C2)cc(OC)c1 ZINC000497741214 1071819066 /nfs/dbraw/zinc/81/90/66/1071819066.db2.gz CNRPAJSUQGDGKY-AWEZNQCLSA-N 1 0 418.450 -0.037 20 0 HBADRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(CCO)c(=O)[nH]c3=O)C2)cc(OC)c1 ZINC000497741215 1071819170 /nfs/dbraw/zinc/81/91/70/1071819170.db2.gz CNRPAJSUQGDGKY-CQSZACIVSA-N 1 0 418.450 -0.037 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[N@H+](C)CCOC)ccc1F ZINC000497753308 1071819659 /nfs/dbraw/zinc/81/96/59/1071819659.db2.gz NABLKPLVWKRIAV-UHFFFAOYSA-N 1 0 404.464 -0.243 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000497782964 1071821752 /nfs/dbraw/zinc/82/17/52/1071821752.db2.gz CDKREUWDLHHBPB-AWEZNQCLSA-N 1 0 401.558 -0.270 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000497792422 1071822389 /nfs/dbraw/zinc/82/23/89/1071822389.db2.gz VFQHPLVNAIKNGS-UHFFFAOYSA-N 1 0 401.467 -0.139 20 0 HBADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000497793546 1071823084 /nfs/dbraw/zinc/82/30/84/1071823084.db2.gz LZKOFPKGPAFPPA-UHFFFAOYSA-N 1 0 402.542 -0.179 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000497796942 1071823271 /nfs/dbraw/zinc/82/32/71/1071823271.db2.gz MTHMQIWOZYVAQV-UHFFFAOYSA-N 1 0 413.544 -0.758 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCN3CC[NH+](C)CC3)CC2)c1 ZINC000497797243 1071823143 /nfs/dbraw/zinc/82/31/43/1071823143.db2.gz XCCMBHZIBHHTFJ-UHFFFAOYSA-N 1 0 423.583 -0.190 20 0 HBADRO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497798093 1071823227 /nfs/dbraw/zinc/82/32/27/1071823227.db2.gz IAUFZQXIKIXQLA-UHFFFAOYSA-N 1 0 410.540 -0.007 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000497808212 1071823760 /nfs/dbraw/zinc/82/37/60/1071823760.db2.gz NMRVCLPLGBLPFM-UHFFFAOYSA-N 1 0 401.558 -0.271 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1=O ZINC000497813400 1071824252 /nfs/dbraw/zinc/82/42/52/1071824252.db2.gz RPRPDFNXPXKRGW-UHFFFAOYSA-N 1 0 401.423 -0.638 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH+]2CCC1CC2 ZINC000497825317 1071825138 /nfs/dbraw/zinc/82/51/38/1071825138.db2.gz BMPHAZHNBQJCNU-UHFFFAOYSA-N 1 0 401.533 -0.483 20 0 HBADRO C[C@]1(C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)NC(=O)NC1=O ZINC000497838563 1071826397 /nfs/dbraw/zinc/82/63/97/1071826397.db2.gz ZHCLMKYDLUOASM-BIENJYKASA-N 1 0 408.503 -0.264 20 0 HBADRO C[C@]1(C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)NC(=O)NC1=O ZINC000497838567 1071826476 /nfs/dbraw/zinc/82/64/76/1071826476.db2.gz ZHCLMKYDLUOASM-CKFHNAJUSA-N 1 0 408.503 -0.264 20 0 HBADRO C[C@]1(C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)NC(=O)NC1=O ZINC000497838568 1071826515 /nfs/dbraw/zinc/82/65/15/1071826515.db2.gz ZHCLMKYDLUOASM-IQUTYRLHSA-N 1 0 408.503 -0.264 20 0 HBADRO C[C@]1(C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)NC(=O)NC1=O ZINC000497838570 1071826458 /nfs/dbraw/zinc/82/64/58/1071826458.db2.gz ZHCLMKYDLUOASM-PJIJBLCYSA-N 1 0 408.503 -0.264 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000497844952 1071827094 /nfs/dbraw/zinc/82/70/94/1071827094.db2.gz FNVDGIHGHNPTMI-UHFFFAOYSA-N 1 0 405.565 -0.148 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCNC(=O)c2cnccn2)CC1 ZINC000497850648 1071826904 /nfs/dbraw/zinc/82/69/04/1071826904.db2.gz BHCLYEGNHUZRCK-UHFFFAOYSA-N 1 0 407.500 -0.011 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000497850745 1071826870 /nfs/dbraw/zinc/82/68/70/1071826870.db2.gz CNRDDQSKPIGMKK-HNNXBMFYSA-N 1 0 403.549 -0.455 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000497850746 1071826732 /nfs/dbraw/zinc/82/67/32/1071826732.db2.gz CNRDDQSKPIGMKK-OAHLLOKOSA-N 1 0 403.549 -0.455 20 0 HBADRO CC(=O)N1CCN(CC[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497854781 1071827520 /nfs/dbraw/zinc/82/75/20/1071827520.db2.gz XXZJRDFCQFNAAA-UHFFFAOYSA-N 1 0 412.560 -0.067 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497855132 1071827454 /nfs/dbraw/zinc/82/74/54/1071827454.db2.gz WUNBHRACYDCUGE-QLFBSQMISA-N 1 0 403.549 -0.267 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497855133 1071827711 /nfs/dbraw/zinc/82/77/11/1071827711.db2.gz WUNBHRACYDCUGE-RBSFLKMASA-N 1 0 403.549 -0.267 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000497855134 1071827693 /nfs/dbraw/zinc/82/76/93/1071827693.db2.gz WUNBHRACYDCUGE-RRFJBIMHSA-N 1 0 403.549 -0.267 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000497855135 1071827538 /nfs/dbraw/zinc/82/75/38/1071827538.db2.gz WUNBHRACYDCUGE-SOUVJXGZSA-N 1 0 403.549 -0.267 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1F ZINC000497856861 1071827754 /nfs/dbraw/zinc/82/77/54/1071827754.db2.gz LIEVQCPFBQSGGC-UHFFFAOYSA-N 1 0 416.475 -0.099 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)cc21 ZINC000497859340 1071827580 /nfs/dbraw/zinc/82/75/80/1071827580.db2.gz GYGFECVGZRIVLD-UHFFFAOYSA-N 1 0 403.395 -0.337 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000497868214 1071828327 /nfs/dbraw/zinc/82/83/27/1071828327.db2.gz NSIZOWZREAYYAK-UHFFFAOYSA-N 1 0 415.491 -0.574 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000497869087 1071828382 /nfs/dbraw/zinc/82/83/82/1071828382.db2.gz NZPRJZWJTXBAQP-UHFFFAOYSA-N 1 0 405.499 -0.245 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c1 ZINC000497879341 1071829501 /nfs/dbraw/zinc/82/95/01/1071829501.db2.gz DUKPELZDFPMXLB-UHFFFAOYSA-N 1 0 413.500 -0.429 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497917877 1071831646 /nfs/dbraw/zinc/83/16/46/1071831646.db2.gz RTFYHHKHMSORLK-QLFBSQMISA-N 1 0 404.467 -0.939 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497917882 1071831666 /nfs/dbraw/zinc/83/16/66/1071831666.db2.gz RTFYHHKHMSORLK-RBSFLKMASA-N 1 0 404.467 -0.939 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497917884 1071831528 /nfs/dbraw/zinc/83/15/28/1071831528.db2.gz RTFYHHKHMSORLK-RRFJBIMHSA-N 1 0 404.467 -0.939 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497917885 1071831675 /nfs/dbraw/zinc/83/16/75/1071831675.db2.gz RTFYHHKHMSORLK-SOUVJXGZSA-N 1 0 404.467 -0.939 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000497992292 1071838528 /nfs/dbraw/zinc/83/85/28/1071838528.db2.gz BPHZOGGUYKMOFQ-UHFFFAOYSA-N 1 0 419.530 -0.642 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)ccc1F ZINC000498035530 1071840395 /nfs/dbraw/zinc/84/03/95/1071840395.db2.gz IDYZQHRHYHNSRT-UHFFFAOYSA-N 1 0 416.475 -0.101 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccn1 ZINC000498054561 1071842844 /nfs/dbraw/zinc/84/28/44/1071842844.db2.gz PSBGAHFLHOUQMB-UHFFFAOYSA-N 1 0 405.499 -0.361 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1=O ZINC000498056941 1071841001 /nfs/dbraw/zinc/84/10/01/1071841001.db2.gz FKLWPUBBGNIQKL-UHFFFAOYSA-N 1 0 401.423 -0.177 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000498059057 1071841696 /nfs/dbraw/zinc/84/16/96/1071841696.db2.gz ZWIKYWVMMSEUDQ-CYBMUJFWSA-N 1 0 401.423 -0.257 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000498059058 1071841628 /nfs/dbraw/zinc/84/16/28/1071841628.db2.gz ZWIKYWVMMSEUDQ-ZDUSSCGKSA-N 1 0 401.423 -0.257 20 0 HBADRO CC(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCN(C)CC1 ZINC000498060795 1071841584 /nfs/dbraw/zinc/84/15/84/1071841584.db2.gz DOAPOCATRLCSNL-HNNXBMFYSA-N 1 0 419.530 -0.788 20 0 HBADRO CC(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCN(C)CC1 ZINC000498060796 1071841642 /nfs/dbraw/zinc/84/16/42/1071841642.db2.gz DOAPOCATRLCSNL-OAHLLOKOSA-N 1 0 419.530 -0.788 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCN(C)CC1 ZINC000498061313 1071841681 /nfs/dbraw/zinc/84/16/81/1071841681.db2.gz MXQCTNXKGJINEY-BBWFWOEESA-N 1 0 414.572 -0.590 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCN(C)CC1 ZINC000498061314 1071841654 /nfs/dbraw/zinc/84/16/54/1071841654.db2.gz MXQCTNXKGJINEY-IKGGRYGDSA-N 1 0 414.572 -0.590 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCN(C)CC1 ZINC000498061315 1071841758 /nfs/dbraw/zinc/84/17/58/1071841758.db2.gz MXQCTNXKGJINEY-ULQDDVLXSA-N 1 0 414.572 -0.590 20 0 HBADRO CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCN(C)CC1 ZINC000498061316 1071841711 /nfs/dbraw/zinc/84/17/11/1071841711.db2.gz MXQCTNXKGJINEY-ZACQAIPSSA-N 1 0 414.572 -0.590 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000498069889 1071843553 /nfs/dbraw/zinc/84/35/53/1071843553.db2.gz OXJCORRVWUEMQH-UHFFFAOYSA-N 1 0 401.467 -0.511 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000498079060 1071844200 /nfs/dbraw/zinc/84/42/00/1071844200.db2.gz DNNZYKMECAARPV-CYBMUJFWSA-N 1 0 401.423 -0.257 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1=O ZINC000498079061 1071844004 /nfs/dbraw/zinc/84/40/04/1071844004.db2.gz DNNZYKMECAARPV-ZDUSSCGKSA-N 1 0 401.423 -0.257 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1=O ZINC000498080476 1071844053 /nfs/dbraw/zinc/84/40/53/1071844053.db2.gz VEMNARQDSFWKNS-UHFFFAOYSA-N 1 0 415.450 -0.215 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1=O ZINC000498096650 1071847217 /nfs/dbraw/zinc/84/72/17/1071847217.db2.gz ZORMWQXDIHQBPF-HNNXBMFYSA-N 1 0 415.450 -0.579 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O ZINC000498096651 1071847075 /nfs/dbraw/zinc/84/70/75/1071847075.db2.gz ZORMWQXDIHQBPF-OAHLLOKOSA-N 1 0 415.450 -0.579 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1=O ZINC000498117924 1071848361 /nfs/dbraw/zinc/84/83/61/1071848361.db2.gz PWXWJTYNGOTPGH-UHFFFAOYSA-N 1 0 401.423 -0.129 20 0 HBADRO CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139205 1071849398 /nfs/dbraw/zinc/84/93/98/1071849398.db2.gz YTHNWZNWUOPUKH-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139206 1071849276 /nfs/dbraw/zinc/84/92/76/1071849276.db2.gz YTHNWZNWUOPUKH-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139207 1071848892 /nfs/dbraw/zinc/84/88/92/1071848892.db2.gz YTHNWZNWUOPUKH-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139208 1071849354 /nfs/dbraw/zinc/84/93/54/1071849354.db2.gz YTHNWZNWUOPUKH-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC1=O ZINC000498141888 1071849993 /nfs/dbraw/zinc/84/99/93/1071849993.db2.gz NCFULUQCMBDETB-CVEARBPZSA-N 1 0 400.545 -0.834 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC1=O ZINC000498141889 1071849911 /nfs/dbraw/zinc/84/99/11/1071849911.db2.gz NCFULUQCMBDETB-HOTGVXAUSA-N 1 0 400.545 -0.834 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC1=O ZINC000498141890 1071849950 /nfs/dbraw/zinc/84/99/50/1071849950.db2.gz NCFULUQCMBDETB-HZPDHXFCSA-N 1 0 400.545 -0.834 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)CC1=O ZINC000498141891 1071849986 /nfs/dbraw/zinc/84/99/86/1071849986.db2.gz NCFULUQCMBDETB-JKSUJKDBSA-N 1 0 400.545 -0.834 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000498189202 1071858505 /nfs/dbraw/zinc/85/85/05/1071858505.db2.gz HDFROMCNJXCWHE-INIZCTEOSA-N 1 0 401.467 -0.098 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000498189203 1071858710 /nfs/dbraw/zinc/85/87/10/1071858710.db2.gz HDFROMCNJXCWHE-MRXNPFEDSA-N 1 0 401.467 -0.098 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000498198128 1071859910 /nfs/dbraw/zinc/85/99/10/1071859910.db2.gz IUFGKAQXPMKTHP-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000498201340 1071862794 /nfs/dbraw/zinc/86/27/94/1071862794.db2.gz NJUPEGCRKFNPSL-UHFFFAOYSA-N 1 0 402.293 -0.145 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000498202115 1071860897 /nfs/dbraw/zinc/86/08/97/1071860897.db2.gz JEWGQYFPGSDZAM-UHFFFAOYSA-N 1 0 401.467 -0.269 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)CC1 ZINC000498210442 1071860178 /nfs/dbraw/zinc/86/01/78/1071860178.db2.gz PBUCBXKSIWDJSE-UHFFFAOYSA-N 1 0 401.467 -0.139 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000498247747 1071874582 /nfs/dbraw/zinc/87/45/82/1071874582.db2.gz NNYWSPZPWGROMN-INIZCTEOSA-N 1 0 401.467 -0.073 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000498247748 1071874718 /nfs/dbraw/zinc/87/47/18/1071874718.db2.gz NNYWSPZPWGROMN-MRXNPFEDSA-N 1 0 401.467 -0.073 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000498292553 1071883880 /nfs/dbraw/zinc/88/38/80/1071883880.db2.gz XWIAAJCVHBXRGU-UHFFFAOYSA-N 1 0 423.539 -0.826 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000498296611 1071883924 /nfs/dbraw/zinc/88/39/24/1071883924.db2.gz SBNYNNXEIQBWIU-UHFFFAOYSA-N 1 0 409.487 -0.650 20 0 HBADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498301996 1071886601 /nfs/dbraw/zinc/88/66/01/1071886601.db2.gz TXLDOSQXDBPNAQ-CVEARBPZSA-N 1 0 402.561 -0.399 20 0 HBADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498301997 1071886682 /nfs/dbraw/zinc/88/66/82/1071886682.db2.gz TXLDOSQXDBPNAQ-HOTGVXAUSA-N 1 0 402.561 -0.399 20 0 HBADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498301998 1071886648 /nfs/dbraw/zinc/88/66/48/1071886648.db2.gz TXLDOSQXDBPNAQ-HZPDHXFCSA-N 1 0 402.561 -0.399 20 0 HBADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498301999 1071886718 /nfs/dbraw/zinc/88/67/18/1071886718.db2.gz TXLDOSQXDBPNAQ-JKSUJKDBSA-N 1 0 402.561 -0.399 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498304775 1071888804 /nfs/dbraw/zinc/88/88/04/1071888804.db2.gz GQAVPXBGOCHIKG-DLBZAZTESA-N 1 0 414.572 -0.302 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498304780 1071888559 /nfs/dbraw/zinc/88/85/59/1071888559.db2.gz GQAVPXBGOCHIKG-IAGOWNOFSA-N 1 0 414.572 -0.302 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498304782 1071888769 /nfs/dbraw/zinc/88/87/69/1071888769.db2.gz GQAVPXBGOCHIKG-IRXDYDNUSA-N 1 0 414.572 -0.302 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498304784 1071888614 /nfs/dbraw/zinc/88/86/14/1071888614.db2.gz GQAVPXBGOCHIKG-SJORKVTESA-N 1 0 414.572 -0.302 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000498314207 1071890731 /nfs/dbraw/zinc/89/07/31/1071890731.db2.gz BMFPPMNJBQMHJQ-HNNXBMFYSA-N 1 0 405.455 -0.382 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000498314208 1071890886 /nfs/dbraw/zinc/89/08/86/1071890886.db2.gz BMFPPMNJBQMHJQ-OAHLLOKOSA-N 1 0 405.455 -0.382 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000498371030 1071901670 /nfs/dbraw/zinc/90/16/70/1071901670.db2.gz BUNJZTKEBOCASJ-LLVKDONJSA-N 1 0 402.293 -0.146 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000498371225 1070789130 /nfs/dbraw/zinc/78/91/30/1070789130.db2.gz BUNJZTKEBOCASJ-NSHDSACASA-N 1 0 402.293 -0.146 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000498371788 1070789997 /nfs/dbraw/zinc/78/99/97/1070789997.db2.gz IEHLFCOSEKWSJR-UHFFFAOYSA-N 1 0 409.487 -0.506 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CC1=O ZINC000498401168 1071907067 /nfs/dbraw/zinc/90/70/67/1071907067.db2.gz LGESHSOONPNQCA-ARFHVFGLSA-N 1 0 400.545 -0.154 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CC1=O ZINC000498401169 1071906928 /nfs/dbraw/zinc/90/69/28/1071906928.db2.gz LGESHSOONPNQCA-BZUAXINKSA-N 1 0 400.545 -0.154 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CC1=O ZINC000498401170 1071906862 /nfs/dbraw/zinc/90/68/62/1071906862.db2.gz LGESHSOONPNQCA-HRCADAONSA-N 1 0 400.545 -0.154 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CC1=O ZINC000498401171 1071907099 /nfs/dbraw/zinc/90/70/99/1071907099.db2.gz LGESHSOONPNQCA-OWCLPIDISA-N 1 0 400.545 -0.154 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000498414637 1071908186 /nfs/dbraw/zinc/90/81/86/1071908186.db2.gz LDESJNGWSGORHV-UHFFFAOYSA-N 1 0 405.503 -0.221 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000498414920 1070900331 /nfs/dbraw/zinc/90/03/31/1070900331.db2.gz STLVPGVMJCIPFZ-UHFFFAOYSA-N 1 0 402.499 -0.270 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000498421234 1071908053 /nfs/dbraw/zinc/90/80/53/1071908053.db2.gz IDCYKCWCOBPUMR-UHFFFAOYSA-N 1 0 402.499 -0.270 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC(=O)N2CCN(C)CC2)CC1 ZINC000498426119 1071909447 /nfs/dbraw/zinc/90/94/47/1071909447.db2.gz PKDXAPALDSTVHT-UHFFFAOYSA-N 1 0 412.560 -0.067 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000498434242 1071911261 /nfs/dbraw/zinc/91/12/61/1071911261.db2.gz PRMWJALLXUQWMW-AWEZNQCLSA-N 1 0 402.499 -0.364 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000498434245 1071911282 /nfs/dbraw/zinc/91/12/82/1071911282.db2.gz PRMWJALLXUQWMW-CQSZACIVSA-N 1 0 402.499 -0.364 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000498442531 1071911961 /nfs/dbraw/zinc/91/19/61/1071911961.db2.gz RRGKMSSFNNOFTQ-AWEZNQCLSA-N 1 0 402.499 -0.364 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000498442532 1071911999 /nfs/dbraw/zinc/91/19/99/1071911999.db2.gz RRGKMSSFNNOFTQ-CQSZACIVSA-N 1 0 402.499 -0.364 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1S(C)(=O)=O ZINC000498447543 1071912412 /nfs/dbraw/zinc/91/24/12/1071912412.db2.gz UKGDQIWZWOCPTK-AWEZNQCLSA-N 1 0 410.496 -0.207 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1S(C)(=O)=O ZINC000498447545 1071912525 /nfs/dbraw/zinc/91/25/25/1071912525.db2.gz UKGDQIWZWOCPTK-CQSZACIVSA-N 1 0 410.496 -0.207 20 0 HBADRO CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1 ZINC000498474649 1071915286 /nfs/dbraw/zinc/91/52/86/1071915286.db2.gz PXTLEVGTOURERL-HNNXBMFYSA-N 1 0 414.528 -0.012 20 0 HBADRO CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000498474651 1071915382 /nfs/dbraw/zinc/91/53/82/1071915382.db2.gz PXTLEVGTOURERL-OAHLLOKOSA-N 1 0 414.528 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCN2CCOCC2)CC(=O)OC)CC1=O ZINC000498476608 1071915346 /nfs/dbraw/zinc/91/53/46/1071915346.db2.gz WMZLBQCOOWKCQA-MSOLQXFVSA-N 1 0 424.542 -0.347 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCN2CCOCC2)CC(=O)OC)CC1=O ZINC000498476839 1071916323 /nfs/dbraw/zinc/91/63/23/1071916323.db2.gz WMZLBQCOOWKCQA-QZTJIDSGSA-N 1 0 424.542 -0.347 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)OC)CC1=O ZINC000498476840 1071916453 /nfs/dbraw/zinc/91/64/53/1071916453.db2.gz WMZLBQCOOWKCQA-ROUUACIJSA-N 1 0 424.542 -0.347 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)OC)CC1=O ZINC000498476841 1071916508 /nfs/dbraw/zinc/91/65/08/1071916508.db2.gz WMZLBQCOOWKCQA-ZWKOTPCHSA-N 1 0 424.542 -0.347 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1=O ZINC000498478702 1071915933 /nfs/dbraw/zinc/91/59/33/1071915933.db2.gz ZCCWYNMZBCVGAP-UHFFFAOYSA-N 1 0 415.450 -0.451 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498513633 1071925720 /nfs/dbraw/zinc/92/57/20/1071925720.db2.gz BAFIQXNRFNTGKY-MOPGFXCFSA-N 1 0 409.575 -0.158 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498513634 1071925650 /nfs/dbraw/zinc/92/56/50/1071925650.db2.gz BAFIQXNRFNTGKY-OALUTQOASA-N 1 0 409.575 -0.158 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498513635 1070978248 /nfs/dbraw/zinc/97/82/48/1070978248.db2.gz BAFIQXNRFNTGKY-RBUKOAKNSA-N 1 0 409.575 -0.158 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498513636 1070978320 /nfs/dbraw/zinc/97/83/20/1070978320.db2.gz BAFIQXNRFNTGKY-RTBURBONSA-N 1 0 409.575 -0.158 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000498515317 1071924011 /nfs/dbraw/zinc/92/40/11/1071924011.db2.gz JDEDKXGWCIAKMP-CYBMUJFWSA-N 1 0 419.511 -0.146 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000498515318 1071924133 /nfs/dbraw/zinc/92/41/33/1071924133.db2.gz JDEDKXGWCIAKMP-ZDUSSCGKSA-N 1 0 419.511 -0.146 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498529244 1071926715 /nfs/dbraw/zinc/92/67/15/1071926715.db2.gz MLNTZHJAGWNPNC-UHFFFAOYSA-N 1 0 423.539 -0.826 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000498545930 1071929524 /nfs/dbraw/zinc/92/95/24/1071929524.db2.gz HGRAUCQNXVHXME-UHFFFAOYSA-N 1 0 401.467 -0.317 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000498563072 1071932427 /nfs/dbraw/zinc/93/24/27/1071932427.db2.gz HZUBOKDQUIDHFG-BBWFWOEESA-N 1 0 415.556 -0.019 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000498563073 1071932578 /nfs/dbraw/zinc/93/25/78/1071932578.db2.gz HZUBOKDQUIDHFG-BRWVUGGUSA-N 1 0 415.556 -0.019 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000498563074 1071932549 /nfs/dbraw/zinc/93/25/49/1071932549.db2.gz HZUBOKDQUIDHFG-GVDBMIGSSA-N 1 0 415.556 -0.019 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000498563075 1071932449 /nfs/dbraw/zinc/93/24/49/1071932449.db2.gz HZUBOKDQUIDHFG-ZACQAIPSSA-N 1 0 415.556 -0.019 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000498569091 1070988428 /nfs/dbraw/zinc/98/84/28/1070988428.db2.gz FJLUTCONZNIZKL-UHFFFAOYSA-N 1 0 409.556 -0.002 20 0 HBADRO O=C(CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)N1CCNC(=O)C1 ZINC000498578126 1071935590 /nfs/dbraw/zinc/93/55/90/1071935590.db2.gz BSRJWSFBBCKIOC-GOSISDBHSA-N 1 0 400.527 -0.126 20 0 HBADRO O=C(CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)N1CCNC(=O)C1 ZINC000498578129 1071935661 /nfs/dbraw/zinc/93/56/61/1071935661.db2.gz BSRJWSFBBCKIOC-SFHVURJKSA-N 1 0 400.527 -0.126 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498605914 1071939506 /nfs/dbraw/zinc/93/95/06/1071939506.db2.gz JOIGAAKBCDDJGI-UHFFFAOYSA-N 1 0 423.539 -0.874 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)ccc1F ZINC000498606732 1071939363 /nfs/dbraw/zinc/93/93/63/1071939363.db2.gz YTJWPXHDQCHEBH-UHFFFAOYSA-N 1 0 416.475 -0.507 20 0 HBADRO C[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC000498630688 1071942613 /nfs/dbraw/zinc/94/26/13/1071942613.db2.gz NSKLHOJKHHMTHH-LLVKDONJSA-N 1 0 402.293 -0.289 20 0 HBADRO C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC000498630692 1071942526 /nfs/dbraw/zinc/94/25/26/1071942526.db2.gz NSKLHOJKHHMTHH-NSHDSACASA-N 1 0 402.293 -0.289 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498654321 1071945528 /nfs/dbraw/zinc/94/55/28/1071945528.db2.gz DRWRUSJWMTTXEW-UHFFFAOYSA-N 1 0 404.464 -0.291 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)ccc1F ZINC000498670150 1071949543 /nfs/dbraw/zinc/94/95/43/1071949543.db2.gz XGQGRLGHYFUOHR-CYBMUJFWSA-N 1 0 416.475 -0.101 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)ccc1F ZINC000498670152 1071949368 /nfs/dbraw/zinc/94/93/68/1071949368.db2.gz XGQGRLGHYFUOHR-ZDUSSCGKSA-N 1 0 416.475 -0.101 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498670259 1071949524 /nfs/dbraw/zinc/94/95/24/1071949524.db2.gz IQPUAOAGOXYVJJ-CVEARBPZSA-N 1 0 418.494 -0.284 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498670260 1071949425 /nfs/dbraw/zinc/94/94/25/1071949425.db2.gz IQPUAOAGOXYVJJ-HOTGVXAUSA-N 1 0 418.494 -0.284 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498670261 1071949504 /nfs/dbraw/zinc/94/95/04/1071949504.db2.gz IQPUAOAGOXYVJJ-HZPDHXFCSA-N 1 0 418.494 -0.284 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498670262 1071949468 /nfs/dbraw/zinc/94/94/68/1071949468.db2.gz IQPUAOAGOXYVJJ-JKSUJKDBSA-N 1 0 418.494 -0.284 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c(OCC[NH+](C)C)c1 ZINC000498680365 1071953214 /nfs/dbraw/zinc/95/32/14/1071953214.db2.gz IQRHNENFAAHIKM-HNNXBMFYSA-N 1 0 406.483 -0.074 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c(OCC[NH+](C)C)c1 ZINC000498680366 1071953286 /nfs/dbraw/zinc/95/32/86/1071953286.db2.gz IQRHNENFAAHIKM-OAHLLOKOSA-N 1 0 406.483 -0.074 20 0 HBADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000498683932 1071952222 /nfs/dbraw/zinc/95/22/22/1071952222.db2.gz YHRJFYLDCIPRQV-INIZCTEOSA-N 1 0 417.510 -0.576 20 0 HBADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000498683933 1071952164 /nfs/dbraw/zinc/95/21/64/1071952164.db2.gz YHRJFYLDCIPRQV-MRXNPFEDSA-N 1 0 417.510 -0.576 20 0 HBADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000498695467 1071956776 /nfs/dbraw/zinc/95/67/76/1071956776.db2.gz NMRBWLMSJSIXKJ-AWEZNQCLSA-N 1 0 419.482 -0.455 20 0 HBADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000498695470 1071956799 /nfs/dbraw/zinc/95/67/99/1071956799.db2.gz NMRBWLMSJSIXKJ-CQSZACIVSA-N 1 0 419.482 -0.455 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)ccc2oc1=O ZINC000498697923 1071957348 /nfs/dbraw/zinc/95/73/48/1071957348.db2.gz BGDQQWYNQVDJIQ-AWEZNQCLSA-N 1 0 415.450 -0.072 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)ccc2oc1=O ZINC000498697924 1071957395 /nfs/dbraw/zinc/95/73/95/1071957395.db2.gz BGDQQWYNQVDJIQ-CQSZACIVSA-N 1 0 415.450 -0.072 20 0 HBADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000498701441 1071956132 /nfs/dbraw/zinc/95/61/32/1071956132.db2.gz LWXMJMOCZKCNFB-AWEZNQCLSA-N 1 0 419.482 -0.433 20 0 HBADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000498701444 1071956335 /nfs/dbraw/zinc/95/63/35/1071956335.db2.gz LWXMJMOCZKCNFB-CQSZACIVSA-N 1 0 419.482 -0.433 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000498753081 1071965148 /nfs/dbraw/zinc/96/51/48/1071965148.db2.gz OIEHVJCCGDJRAV-UHFFFAOYSA-N 1 0 402.542 -0.057 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC000498753738 1071966347 /nfs/dbraw/zinc/96/63/47/1071966347.db2.gz QRLOBEMUNALSNK-UHFFFAOYSA-N 1 0 421.498 -0.362 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)ccc1F ZINC000498754322 1071966250 /nfs/dbraw/zinc/96/62/50/1071966250.db2.gz RCPPYNWKGSKDEM-GFCCVEGCSA-N 1 0 402.448 -0.491 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)ccc1F ZINC000498754323 1071966392 /nfs/dbraw/zinc/96/63/92/1071966392.db2.gz RCPPYNWKGSKDEM-LBPRGKRZSA-N 1 0 402.448 -0.491 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498754694 1071966373 /nfs/dbraw/zinc/96/63/73/1071966373.db2.gz UBVXUOAETSBHQD-CYBMUJFWSA-N 1 0 416.475 -0.149 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498754695 1071966306 /nfs/dbraw/zinc/96/63/06/1071966306.db2.gz UBVXUOAETSBHQD-ZDUSSCGKSA-N 1 0 416.475 -0.149 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777105 1071970744 /nfs/dbraw/zinc/97/07/44/1071970744.db2.gz ZGMWXRFPNZEFPJ-DOTOQJQBSA-N 1 0 414.572 -0.494 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777106 1071970613 /nfs/dbraw/zinc/97/06/13/1071970613.db2.gz ZGMWXRFPNZEFPJ-NVXWUHKLSA-N 1 0 414.572 -0.494 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000498777107 1071970883 /nfs/dbraw/zinc/97/08/83/1071970883.db2.gz ZGMWXRFPNZEFPJ-RDJZCZTQSA-N 1 0 414.572 -0.494 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000498777108 1071970835 /nfs/dbraw/zinc/97/08/35/1071970835.db2.gz ZGMWXRFPNZEFPJ-WBVHZDCISA-N 1 0 414.572 -0.494 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000498783601 1071972429 /nfs/dbraw/zinc/97/24/29/1071972429.db2.gz RGDPNYJZCMTTMD-UHFFFAOYSA-N 1 0 405.546 -0.195 20 0 HBADRO COC(=O)Cn1cc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)nn1 ZINC000498787537 1071973148 /nfs/dbraw/zinc/97/31/48/1071973148.db2.gz OQRHMTVIDLVTQE-UHFFFAOYSA-N 1 0 411.488 -0.266 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000498795342 1071976362 /nfs/dbraw/zinc/97/63/62/1071976362.db2.gz OOCFMGLNLNFMJS-UHFFFAOYSA-N 1 0 418.454 -0.427 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)ccc1F ZINC000498799611 1071974313 /nfs/dbraw/zinc/97/43/13/1071974313.db2.gz IJUAKEKUBJSTEQ-UHFFFAOYSA-N 1 0 416.475 -0.101 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)ccc1F ZINC000498808238 1071976923 /nfs/dbraw/zinc/97/69/23/1071976923.db2.gz PEGHBPVBGABDIL-UHFFFAOYSA-N 1 0 404.464 -0.291 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498817345 1071980247 /nfs/dbraw/zinc/98/02/47/1071980247.db2.gz LGQPDRIVBZOPFL-UHFFFAOYSA-N 1 0 401.467 -0.119 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498823211 1071981780 /nfs/dbraw/zinc/98/17/80/1071981780.db2.gz NIKCXEXPBWLOMZ-BHYGNILZSA-N 1 0 404.515 -0.002 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498823242 1071980061 /nfs/dbraw/zinc/98/00/61/1071980061.db2.gz NIKCXEXPBWLOMZ-USXIJHARSA-N 1 0 404.515 -0.002 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000498825653 1071980590 /nfs/dbraw/zinc/98/05/90/1071980590.db2.gz AMFSJKPYOLTJPP-INIZCTEOSA-N 1 0 423.558 -0.334 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000498825654 1071980626 /nfs/dbraw/zinc/98/06/26/1071980626.db2.gz AMFSJKPYOLTJPP-MRXNPFEDSA-N 1 0 423.558 -0.334 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000498838681 1071982439 /nfs/dbraw/zinc/98/24/39/1071982439.db2.gz PKGVHGXBTLCQRX-KRWDZBQOSA-N 1 0 423.558 -0.190 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000498838688 1071982354 /nfs/dbraw/zinc/98/23/54/1071982354.db2.gz PKGVHGXBTLCQRX-QGZVFWFLSA-N 1 0 423.558 -0.190 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000498845900 1071981926 /nfs/dbraw/zinc/98/19/26/1071981926.db2.gz VLPVSTHYXPWKCS-UHFFFAOYSA-N 1 0 400.483 -0.403 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000498848048 1071984151 /nfs/dbraw/zinc/98/41/51/1071984151.db2.gz AUUDHDXQKWGOPE-HNNXBMFYSA-N 1 0 409.531 -0.534 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000498848050 1071984069 /nfs/dbraw/zinc/98/40/69/1071984069.db2.gz AUUDHDXQKWGOPE-OAHLLOKOSA-N 1 0 409.531 -0.534 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)no1 ZINC000498852023 1069593290 /nfs/dbraw/zinc/59/32/90/1069593290.db2.gz FTGCLIBRRSMPNF-UHFFFAOYSA-N 1 0 418.498 -0.166 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000498852322 1071985295 /nfs/dbraw/zinc/98/52/95/1071985295.db2.gz HKHIFSOITIMYHJ-GOSISDBHSA-N 1 0 421.542 -0.854 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000498852326 1071985221 /nfs/dbraw/zinc/98/52/21/1071985221.db2.gz HKHIFSOITIMYHJ-SFHVURJKSA-N 1 0 421.542 -0.854 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000498852893 1071985176 /nfs/dbraw/zinc/98/51/76/1071985176.db2.gz IUWGXCVIZIKJCO-INIZCTEOSA-N 1 0 412.498 -0.070 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000498852895 1071985381 /nfs/dbraw/zinc/98/53/81/1071985381.db2.gz IUWGXCVIZIKJCO-MRXNPFEDSA-N 1 0 412.498 -0.070 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000498855604 1071985833 /nfs/dbraw/zinc/98/58/33/1071985833.db2.gz MPKURRZFCNXRHQ-GOSISDBHSA-N 1 0 423.558 -0.560 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000498855608 1071985766 /nfs/dbraw/zinc/98/57/66/1071985766.db2.gz MPKURRZFCNXRHQ-SFHVURJKSA-N 1 0 423.558 -0.560 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)CC1 ZINC000498856770 1069680563 /nfs/dbraw/zinc/68/05/63/1069680563.db2.gz QZKLBDGVAAUGPB-INIZCTEOSA-N 1 0 401.515 -0.140 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC1 ZINC000498856778 1071984053 /nfs/dbraw/zinc/98/40/53/1071984053.db2.gz QZKLBDGVAAUGPB-MRXNPFEDSA-N 1 0 401.515 -0.140 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC(=O)N2C)cnn1C ZINC000498858659 1071986378 /nfs/dbraw/zinc/98/63/78/1071986378.db2.gz VZNVMVBHMDQQEF-AEFFLSMTSA-N 1 0 402.499 -0.115 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000498858810 1071986481 /nfs/dbraw/zinc/98/64/81/1071986481.db2.gz LZJBKLPMXJFSTD-INIZCTEOSA-N 1 0 402.499 -0.205 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000498858813 1071986448 /nfs/dbraw/zinc/98/64/48/1071986448.db2.gz LZJBKLPMXJFSTD-MRXNPFEDSA-N 1 0 402.499 -0.205 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1=O ZINC000498863427 1071987769 /nfs/dbraw/zinc/98/77/69/1071987769.db2.gz CDPGOONAVCJLNI-INIZCTEOSA-N 1 0 402.499 -0.471 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1=O ZINC000498863430 1071987708 /nfs/dbraw/zinc/98/77/08/1071987708.db2.gz CDPGOONAVCJLNI-MRXNPFEDSA-N 1 0 402.499 -0.471 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000498863617 1071987053 /nfs/dbraw/zinc/98/70/53/1071987053.db2.gz CTCOJMXGFSZPJI-GOSISDBHSA-N 1 0 405.543 -0.090 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000498863619 1071987519 /nfs/dbraw/zinc/98/75/19/1071987519.db2.gz CTCOJMXGFSZPJI-SFHVURJKSA-N 1 0 405.543 -0.090 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1=O ZINC000498863906 1071987041 /nfs/dbraw/zinc/98/70/41/1071987041.db2.gz DTMRMOPYCROIJN-KRWDZBQOSA-N 1 0 421.542 -0.436 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1=O ZINC000498863907 1071987129 /nfs/dbraw/zinc/98/71/29/1071987129.db2.gz DTMRMOPYCROIJN-QGZVFWFLSA-N 1 0 421.542 -0.436 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000498865213 1071987734 /nfs/dbraw/zinc/98/77/34/1071987734.db2.gz ITHVEWGHPPOAGV-IBGZPJMESA-N 1 0 415.538 0.000 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000498865214 1071987669 /nfs/dbraw/zinc/98/76/69/1071987669.db2.gz ITHVEWGHPPOAGV-LJQANCHMSA-N 1 0 415.538 0.000 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000498865503 1071987600 /nfs/dbraw/zinc/98/76/00/1071987600.db2.gz JDJGKYVJMWPMTB-GOSISDBHSA-N 1 0 402.495 -0.004 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000498865504 1071987625 /nfs/dbraw/zinc/98/76/25/1071987625.db2.gz JDJGKYVJMWPMTB-SFHVURJKSA-N 1 0 402.495 -0.004 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000498867814 1071985955 /nfs/dbraw/zinc/98/59/55/1071985955.db2.gz PTGLLZUCNMKRTO-INIZCTEOSA-N 1 0 402.499 -0.367 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000498867815 1071985787 /nfs/dbraw/zinc/98/57/87/1071985787.db2.gz PTGLLZUCNMKRTO-MRXNPFEDSA-N 1 0 402.499 -0.367 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498868665 1071988755 /nfs/dbraw/zinc/98/87/55/1071988755.db2.gz SQSJLIDKBKMMOO-DYESRHJHSA-N 1 0 402.495 -0.181 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498868666 1071988792 /nfs/dbraw/zinc/98/87/92/1071988792.db2.gz SQSJLIDKBKMMOO-LAUBAEHRSA-N 1 0 402.495 -0.181 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498868667 1071988748 /nfs/dbraw/zinc/98/87/48/1071988748.db2.gz SQSJLIDKBKMMOO-UTKZUKDTSA-N 1 0 402.495 -0.181 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498868668 1071988772 /nfs/dbraw/zinc/98/87/72/1071988772.db2.gz SQSJLIDKBKMMOO-UWJYYQICSA-N 1 0 402.495 -0.181 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000498891731 1071990506 /nfs/dbraw/zinc/99/05/06/1071990506.db2.gz MXYYAAHWIQYNHH-UHFFFAOYSA-N 1 0 423.518 -0.009 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)CC1 ZINC000498930597 1071995880 /nfs/dbraw/zinc/99/58/80/1071995880.db2.gz AUKWJWAYIZYBLS-RBUKOAKNSA-N 1 0 408.543 -0.121 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000498935257 1071995835 /nfs/dbraw/zinc/99/58/35/1071995835.db2.gz DXGZJFQKMIKLJA-UHFFFAOYSA-N 1 0 405.543 -0.089 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000498937499 1071996559 /nfs/dbraw/zinc/99/65/59/1071996559.db2.gz AHXWDRRFQQWOAZ-UHFFFAOYSA-N 1 0 421.523 -0.317 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000498937860 1071996666 /nfs/dbraw/zinc/99/66/66/1071996666.db2.gz BOCUOLRNBBAKKA-UHFFFAOYSA-N 1 0 412.498 -0.220 20 0 HBADRO Cc1nc2cncc(N3CCN(C(=O)C(=O)NCC[N@H+]4CC=C(C)CC4)CC3)n2n1 ZINC000498938123 1071996647 /nfs/dbraw/zinc/99/66/47/1071996647.db2.gz LXSQCIVIWWPFGK-UHFFFAOYSA-N 1 0 412.498 -0.150 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000498938658 1071996628 /nfs/dbraw/zinc/99/66/28/1071996628.db2.gz NEIBHDCWMBEJMS-UHFFFAOYSA-N 1 0 400.483 -0.403 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000498947841 1071998873 /nfs/dbraw/zinc/99/88/73/1071998873.db2.gz JXRDJOCMYDQPFS-UHFFFAOYSA-N 1 0 405.543 -0.233 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)n1 ZINC000498962408 1072000008 /nfs/dbraw/zinc/00/00/08/1072000008.db2.gz YTZBJSTUOFWHRA-UHFFFAOYSA-N 1 0 406.487 -0.372 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000499007878 1072008482 /nfs/dbraw/zinc/00/84/82/1072008482.db2.gz YEKWMSKSJUOLBU-GFCCVEGCSA-N 1 0 415.491 -0.576 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000499007895 1072008679 /nfs/dbraw/zinc/00/86/79/1072008679.db2.gz YEKWMSKSJUOLBU-LBPRGKRZSA-N 1 0 415.491 -0.576 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000499017707 1072009164 /nfs/dbraw/zinc/00/91/64/1072009164.db2.gz ZKGSBSGDBWAHMT-UHFFFAOYSA-N 1 0 420.539 -0.016 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1=O ZINC000499022595 1072010177 /nfs/dbraw/zinc/01/01/77/1072010177.db2.gz PXBALUVRGNKMKT-HNNXBMFYSA-N 1 0 400.545 -0.882 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1=O ZINC000499022598 1072010201 /nfs/dbraw/zinc/01/02/01/1072010201.db2.gz PXBALUVRGNKMKT-OAHLLOKOSA-N 1 0 400.545 -0.882 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000499066205 1072014620 /nfs/dbraw/zinc/01/46/20/1072014620.db2.gz XXNUBVUJTNVRPG-UHFFFAOYSA-N 1 0 420.539 -0.145 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)ccc1F ZINC000499077073 1072015783 /nfs/dbraw/zinc/01/57/83/1072015783.db2.gz SSBOXQCQVZGREE-UHFFFAOYSA-N 1 0 404.464 -0.243 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000499121209 1072017965 /nfs/dbraw/zinc/01/79/65/1072017965.db2.gz ITWIVGVDICIBKB-UHFFFAOYSA-N 1 0 411.528 -0.334 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000499121625 1072018319 /nfs/dbraw/zinc/01/83/19/1072018319.db2.gz LTLFDGGTSAJJRA-INIZCTEOSA-N 1 0 402.561 -0.036 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000499121626 1072018207 /nfs/dbraw/zinc/01/82/07/1072018207.db2.gz LTLFDGGTSAJJRA-MRXNPFEDSA-N 1 0 402.561 -0.036 20 0 HBADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000499130352 1072018486 /nfs/dbraw/zinc/01/84/86/1072018486.db2.gz LXBJDDYSAMMELW-UHFFFAOYSA-N 1 0 424.523 -0.616 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000499144086 1072019848 /nfs/dbraw/zinc/01/98/48/1072019848.db2.gz CIPPYZKTISIJSR-UHFFFAOYSA-N 1 0 410.496 -0.157 20 0 HBADRO Cn1c(=O)ccn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1=O ZINC000499145460 1072019830 /nfs/dbraw/zinc/01/98/30/1072019830.db2.gz VWKNRGJMKMIDGB-UHFFFAOYSA-N 1 0 419.526 -0.222 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000499147529 1072020760 /nfs/dbraw/zinc/02/07/60/1072020760.db2.gz OZOOHVBSXCQHFM-CYBMUJFWSA-N 1 0 410.496 -0.016 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000499147530 1072020836 /nfs/dbraw/zinc/02/08/36/1072020836.db2.gz OZOOHVBSXCQHFM-ZDUSSCGKSA-N 1 0 410.496 -0.016 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000499165125 1072023617 /nfs/dbraw/zinc/02/36/17/1072023617.db2.gz SVBJAFKXPUTOCJ-INIZCTEOSA-N 1 0 419.482 -0.591 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000499165128 1072023570 /nfs/dbraw/zinc/02/35/70/1072023570.db2.gz SVBJAFKXPUTOCJ-MRXNPFEDSA-N 1 0 419.482 -0.591 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000499190489 1072027481 /nfs/dbraw/zinc/02/74/81/1072027481.db2.gz QMGBSBNXYIOXBK-INIZCTEOSA-N 1 0 418.498 -0.475 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000499190490 1072027421 /nfs/dbraw/zinc/02/74/21/1072027421.db2.gz QMGBSBNXYIOXBK-MRXNPFEDSA-N 1 0 418.498 -0.475 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000499215325 1072029653 /nfs/dbraw/zinc/02/96/53/1072029653.db2.gz DVJYXPSQHCVCID-UHFFFAOYSA-N 1 0 419.482 -0.432 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499272502 1072034549 /nfs/dbraw/zinc/03/45/49/1072034549.db2.gz SDFXSCWLIVJQRM-LRAJWGHMSA-N 1 0 418.494 -0.549 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499272504 1072034331 /nfs/dbraw/zinc/03/43/31/1072034331.db2.gz SDFXSCWLIVJQRM-PDSXEYIOSA-N 1 0 418.494 -0.549 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499272506 1072034609 /nfs/dbraw/zinc/03/46/09/1072034609.db2.gz SDFXSCWLIVJQRM-VFCRVFHLSA-N 1 0 418.494 -0.549 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499272508 1072034539 /nfs/dbraw/zinc/03/45/39/1072034539.db2.gz SDFXSCWLIVJQRM-VTJXTGGHSA-N 1 0 418.494 -0.549 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1F ZINC000499276513 1072034421 /nfs/dbraw/zinc/03/44/21/1072034421.db2.gz ROWAXFKBRWTFEG-INIZCTEOSA-N 1 0 404.464 -0.557 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1F ZINC000499276514 1072034436 /nfs/dbraw/zinc/03/44/36/1072034436.db2.gz ROWAXFKBRWTFEG-MRXNPFEDSA-N 1 0 404.464 -0.557 20 0 HBADRO CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CCOC ZINC000499424026 1069181490 /nfs/dbraw/zinc/18/14/90/1069181490.db2.gz RSRCLVRGOGRBFI-BBWFWOEESA-N 1 0 415.556 -0.019 20 0 HBADRO CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CCOC ZINC000499424027 1069181298 /nfs/dbraw/zinc/18/12/98/1069181298.db2.gz RSRCLVRGOGRBFI-BRWVUGGUSA-N 1 0 415.556 -0.019 20 0 HBADRO CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CCOC ZINC000499424028 1069181370 /nfs/dbraw/zinc/18/13/70/1069181370.db2.gz RSRCLVRGOGRBFI-GVDBMIGSSA-N 1 0 415.556 -0.019 20 0 HBADRO CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1CCOC ZINC000499424029 1069181224 /nfs/dbraw/zinc/18/12/24/1069181224.db2.gz RSRCLVRGOGRBFI-ZACQAIPSSA-N 1 0 415.556 -0.019 20 0 HBADRO CCC[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000499424625 1069182488 /nfs/dbraw/zinc/18/24/88/1069182488.db2.gz SZZDURZDZAUTSM-HNNXBMFYSA-N 1 0 420.514 -0.217 20 0 HBADRO CCC[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000499424626 1069181317 /nfs/dbraw/zinc/18/13/17/1069181317.db2.gz SZZDURZDZAUTSM-OAHLLOKOSA-N 1 0 420.514 -0.217 20 0 HBADRO CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@@H+]1CCOC ZINC000499434930 1069187970 /nfs/dbraw/zinc/18/79/70/1069187970.db2.gz JHGGYSSXKTYTDD-HNNXBMFYSA-N 1 0 401.533 -0.034 20 0 HBADRO CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@@H+]1CCOC ZINC000499434931 1069188049 /nfs/dbraw/zinc/18/80/49/1069188049.db2.gz JHGGYSSXKTYTDD-OAHLLOKOSA-N 1 0 401.533 -0.034 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC000499475040 1069195978 /nfs/dbraw/zinc/19/59/78/1069195978.db2.gz ALAUENIIZPFDAL-HNNXBMFYSA-N 1 0 411.503 -0.608 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC000499475044 1069195854 /nfs/dbraw/zinc/19/58/54/1069195854.db2.gz ALAUENIIZPFDAL-OAHLLOKOSA-N 1 0 411.503 -0.608 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499530948 1069227237 /nfs/dbraw/zinc/22/72/37/1069227237.db2.gz OFYYITUBAPDWIK-CVEARBPZSA-N 1 0 418.494 -0.548 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499530950 1069227463 /nfs/dbraw/zinc/22/74/63/1069227463.db2.gz OFYYITUBAPDWIK-HOTGVXAUSA-N 1 0 418.494 -0.548 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499530952 1069227152 /nfs/dbraw/zinc/22/71/52/1069227152.db2.gz OFYYITUBAPDWIK-HZPDHXFCSA-N 1 0 418.494 -0.548 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499530954 1069227351 /nfs/dbraw/zinc/22/73/51/1069227351.db2.gz OFYYITUBAPDWIK-JKSUJKDBSA-N 1 0 418.494 -0.548 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000499542955 1069237352 /nfs/dbraw/zinc/23/73/52/1069237352.db2.gz FXSDCXTVPGPIQV-UHFFFAOYSA-N 1 0 404.464 -0.555 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000499597559 1069268587 /nfs/dbraw/zinc/26/85/87/1069268587.db2.gz CDSHLBWWJSJHQX-UHFFFAOYSA-N 1 0 403.531 -0.203 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000499757383 1069336111 /nfs/dbraw/zinc/33/61/11/1069336111.db2.gz IKEFFCSEVDSJPX-CABCVRRESA-N 1 0 411.503 -0.608 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000499757385 1069335933 /nfs/dbraw/zinc/33/59/33/1069335933.db2.gz IKEFFCSEVDSJPX-GJZGRUSLSA-N 1 0 411.503 -0.608 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000499757387 1069336153 /nfs/dbraw/zinc/33/61/53/1069336153.db2.gz IKEFFCSEVDSJPX-HUUCEWRRSA-N 1 0 411.503 -0.608 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000499757390 1069336715 /nfs/dbraw/zinc/33/67/15/1069336715.db2.gz IKEFFCSEVDSJPX-LSDHHAIUSA-N 1 0 411.503 -0.608 20 0 HBADRO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H](C)N1CCCS(=O)(=O)N(C)C ZINC000499760309 1069336419 /nfs/dbraw/zinc/33/64/19/1069336419.db2.gz IVFNHQHEAZGERO-IYBDPMFKSA-N 1 0 412.622 -0.056 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1 ZINC000499770781 1069339234 /nfs/dbraw/zinc/33/92/34/1069339234.db2.gz OMNRNWPVPAJWPB-UHFFFAOYSA-N 1 0 419.482 -0.120 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000499772738 1069340753 /nfs/dbraw/zinc/34/07/53/1069340753.db2.gz HIFGBYQJFALGTC-GXZWQRSESA-N 1 0 416.478 -0.795 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000499772743 1069340518 /nfs/dbraw/zinc/34/05/18/1069340518.db2.gz HIFGBYQJFALGTC-PZPWOCDFSA-N 1 0 416.478 -0.795 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000499772745 1069340781 /nfs/dbraw/zinc/34/07/81/1069340781.db2.gz HIFGBYQJFALGTC-WIEQDCTASA-N 1 0 416.478 -0.795 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000499772747 1069340451 /nfs/dbraw/zinc/34/04/51/1069340451.db2.gz HIFGBYQJFALGTC-ZSDSOXJFSA-N 1 0 416.478 -0.795 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000499774762 1069340108 /nfs/dbraw/zinc/34/01/08/1069340108.db2.gz UXMWEMIDBRVUOO-INIZCTEOSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000499774763 1069339949 /nfs/dbraw/zinc/33/99/49/1069339949.db2.gz UXMWEMIDBRVUOO-MRXNPFEDSA-N 1 0 418.498 -0.203 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)c1 ZINC000499780545 1069344034 /nfs/dbraw/zinc/34/40/34/1069344034.db2.gz LDUCYCWABBKBHR-INIZCTEOSA-N 1 0 419.482 -0.121 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)c1 ZINC000499780549 1069344344 /nfs/dbraw/zinc/34/43/44/1069344344.db2.gz LDUCYCWABBKBHR-MRXNPFEDSA-N 1 0 419.482 -0.121 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499781526 1069343641 /nfs/dbraw/zinc/34/36/41/1069343641.db2.gz OCIVKBHRZHCKJU-AEFFLSMTSA-N 1 0 412.556 -0.224 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499781527 1069343379 /nfs/dbraw/zinc/34/33/79/1069343379.db2.gz OCIVKBHRZHCKJU-FUHWJXTLSA-N 1 0 412.556 -0.224 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499781528 1069343698 /nfs/dbraw/zinc/34/36/98/1069343698.db2.gz OCIVKBHRZHCKJU-SJLPKXTDSA-N 1 0 412.556 -0.224 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499781529 1069343554 /nfs/dbraw/zinc/34/35/54/1069343554.db2.gz OCIVKBHRZHCKJU-WMZOPIPTSA-N 1 0 412.556 -0.224 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1F ZINC000499783276 1069345703 /nfs/dbraw/zinc/34/57/03/1069345703.db2.gz YMCDAXFXQBEJIP-INIZCTEOSA-N 1 0 402.448 -0.803 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1F ZINC000499783277 1069345947 /nfs/dbraw/zinc/34/59/47/1069345947.db2.gz YMCDAXFXQBEJIP-MRXNPFEDSA-N 1 0 402.448 -0.803 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000499788393 1069347092 /nfs/dbraw/zinc/34/70/92/1069347092.db2.gz YFKXYQLKEDJNHE-INIZCTEOSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000499788395 1069346933 /nfs/dbraw/zinc/34/69/33/1069346933.db2.gz YFKXYQLKEDJNHE-MRXNPFEDSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000499794065 1069347312 /nfs/dbraw/zinc/34/73/12/1069347312.db2.gz JGPHOPMSSUFMHI-HNNXBMFYSA-N 1 0 409.487 -0.900 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000499794067 1069347629 /nfs/dbraw/zinc/34/76/29/1069347629.db2.gz JGPHOPMSSUFMHI-OAHLLOKOSA-N 1 0 409.487 -0.900 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000499797287 1069348026 /nfs/dbraw/zinc/34/80/26/1069348026.db2.gz NRTMCTSWDYIEJH-INIZCTEOSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000499797290 1069348127 /nfs/dbraw/zinc/34/81/27/1069348127.db2.gz NRTMCTSWDYIEJH-MRXNPFEDSA-N 1 0 418.498 -0.203 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499831277 1069352990 /nfs/dbraw/zinc/35/29/90/1069352990.db2.gz RUUSXLQTEXKVCV-GOSISDBHSA-N 1 0 416.526 -0.306 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000499831278 1069353987 /nfs/dbraw/zinc/35/39/87/1069353987.db2.gz RUUSXLQTEXKVCV-SFHVURJKSA-N 1 0 416.526 -0.306 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 ZINC000499836726 1069354325 /nfs/dbraw/zinc/35/43/25/1069354325.db2.gz VUBYFGPBPQAMOY-UHFFFAOYSA-N 1 0 418.498 -0.547 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c1 ZINC000499839105 1069355215 /nfs/dbraw/zinc/35/52/15/1069355215.db2.gz PHYZBBLYLYCMNX-UHFFFAOYSA-N 1 0 406.443 -0.393 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499876911 1069358803 /nfs/dbraw/zinc/35/88/03/1069358803.db2.gz NGUFRFIJPUNSGJ-BQFCYCMXSA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499876913 1069358424 /nfs/dbraw/zinc/35/84/24/1069358424.db2.gz NGUFRFIJPUNSGJ-JZXOWHBKSA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499876914 1069358482 /nfs/dbraw/zinc/35/84/82/1069358482.db2.gz NGUFRFIJPUNSGJ-NUJGCVRESA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499876915 1069358580 /nfs/dbraw/zinc/35/85/80/1069358580.db2.gz NGUFRFIJPUNSGJ-RYRKJORJSA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499886460 1069359311 /nfs/dbraw/zinc/35/93/11/1069359311.db2.gz JCNRODJCSLXMDV-BQFCYCMXSA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499886461 1069359134 /nfs/dbraw/zinc/35/91/34/1069359134.db2.gz JCNRODJCSLXMDV-JZXOWHBKSA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000499886462 1069359064 /nfs/dbraw/zinc/35/90/64/1069359064.db2.gz JCNRODJCSLXMDV-NUJGCVRESA-N 1 0 412.556 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000499886463 1069359225 /nfs/dbraw/zinc/35/92/25/1069359225.db2.gz JCNRODJCSLXMDV-RYRKJORJSA-N 1 0 412.556 -0.225 20 0 HBADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499900451 1069360224 /nfs/dbraw/zinc/36/02/24/1069360224.db2.gz AZHIEQOHMMPCDC-DOTOQJQBSA-N 1 0 404.515 -0.229 20 0 HBADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499900457 1069360343 /nfs/dbraw/zinc/36/03/43/1069360343.db2.gz AZHIEQOHMMPCDC-NVXWUHKLSA-N 1 0 404.515 -0.229 20 0 HBADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499900459 1069360451 /nfs/dbraw/zinc/36/04/51/1069360451.db2.gz AZHIEQOHMMPCDC-RDJZCZTQSA-N 1 0 404.515 -0.229 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499900461 1069360425 /nfs/dbraw/zinc/36/04/25/1069360425.db2.gz AZHIEQOHMMPCDC-WBVHZDCISA-N 1 0 404.515 -0.229 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000499906131 1069360768 /nfs/dbraw/zinc/36/07/68/1069360768.db2.gz OPRFVVKDXKRGBN-AWEZNQCLSA-N 1 0 403.439 -0.173 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000499906132 1069360711 /nfs/dbraw/zinc/36/07/11/1069360711.db2.gz OPRFVVKDXKRGBN-CQSZACIVSA-N 1 0 403.439 -0.173 20 0 HBADRO Cn1c2ncn(CCC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000499920512 1069362482 /nfs/dbraw/zinc/36/24/82/1069362482.db2.gz IMNFTHNGIRHMTH-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO Cn1c2ncn(CCC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000499920527 1069362509 /nfs/dbraw/zinc/36/25/09/1069362509.db2.gz IMNFTHNGIRHMTH-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499921064 1069362672 /nfs/dbraw/zinc/36/26/72/1069362672.db2.gz NGJDIEMTEJMDPL-JYJNAYRXSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499921065 1069362805 /nfs/dbraw/zinc/36/28/05/1069362805.db2.gz NGJDIEMTEJMDPL-OAGGEKHMSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499921066 1069362740 /nfs/dbraw/zinc/36/27/40/1069362740.db2.gz NGJDIEMTEJMDPL-PMPSAXMXSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499921067 1069362579 /nfs/dbraw/zinc/36/25/79/1069362579.db2.gz NGJDIEMTEJMDPL-XHSDSOJGSA-N 1 0 401.529 -0.409 20 0 HBADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000500053243 1069116303 /nfs/dbraw/zinc/11/63/03/1069116303.db2.gz USKFNJKAMVXRJC-GASCZTMLSA-N 1 0 409.574 -0.217 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000500053260 1069116090 /nfs/dbraw/zinc/11/60/90/1069116090.db2.gz USKFNJKAMVXRJC-GJZGRUSLSA-N 1 0 409.574 -0.217 20 0 HBADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)C[C@@H](C)O1 ZINC000500053262 1069116279 /nfs/dbraw/zinc/11/62/79/1069116279.db2.gz USKFNJKAMVXRJC-HUUCEWRRSA-N 1 0 409.574 -0.217 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000500058698 1069116331 /nfs/dbraw/zinc/11/63/31/1069116331.db2.gz KIYJFUPPQNEGDX-UHFFFAOYSA-N 1 0 418.541 -0.957 20 0 HBADRO O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCS(=O)(=O)CC1 ZINC000500101400 1069120988 /nfs/dbraw/zinc/12/09/88/1069120988.db2.gz HXZQGZAIHCPRKS-UHFFFAOYSA-N 1 0 417.557 -0.842 20 0 HBADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000500103268 1069121054 /nfs/dbraw/zinc/12/10/54/1069121054.db2.gz CABZVKSWJOIPDM-UHFFFAOYSA-N 1 0 405.542 -0.266 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000500105963 1069121176 /nfs/dbraw/zinc/12/11/76/1069121176.db2.gz NBPNLTLJJLYDHA-UHFFFAOYSA-N 1 0 417.553 -0.116 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000500220149 1069129669 /nfs/dbraw/zinc/12/96/69/1069129669.db2.gz MXLMWTSSYSOGEE-HNNXBMFYSA-N 1 0 411.532 -0.980 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000500220150 1069130522 /nfs/dbraw/zinc/13/05/22/1069130522.db2.gz MXLMWTSSYSOGEE-OAHLLOKOSA-N 1 0 411.532 -0.980 20 0 HBADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000500271679 1069137849 /nfs/dbraw/zinc/13/78/49/1069137849.db2.gz CKYJCZBZLNTASV-GDBMZVCRSA-N 1 0 400.501 -0.110 20 0 HBADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000500271680 1069137761 /nfs/dbraw/zinc/13/77/61/1069137761.db2.gz CKYJCZBZLNTASV-GOEBONIOSA-N 1 0 400.501 -0.110 20 0 HBADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000500271681 1069137897 /nfs/dbraw/zinc/13/78/97/1069137897.db2.gz CKYJCZBZLNTASV-HOCLYGCPSA-N 1 0 400.501 -0.110 20 0 HBADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000500271682 1069137927 /nfs/dbraw/zinc/13/79/27/1069137927.db2.gz CKYJCZBZLNTASV-ZBFHGGJFSA-N 1 0 400.501 -0.110 20 0 HBADRO O=C(NCCCn1ccnn1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000500275997 1069138424 /nfs/dbraw/zinc/13/84/24/1069138424.db2.gz HAQUTZOHVRBADO-UHFFFAOYSA-N 1 0 419.530 -0.375 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500277705 1069139383 /nfs/dbraw/zinc/13/93/83/1069139383.db2.gz MWKMDSRZXQMWTN-UHFFFAOYSA-N 1 0 421.546 -0.273 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000500287203 1069140924 /nfs/dbraw/zinc/14/09/24/1069140924.db2.gz JQDPKLZJBLLNNR-UHFFFAOYSA-N 1 0 400.483 -0.037 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@H](C)O)cc1 ZINC000500306743 1069145713 /nfs/dbraw/zinc/14/57/13/1069145713.db2.gz RZSQSFYCUYAWPU-JZXOWHBKSA-N 1 0 413.540 -0.014 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)O)cc1 ZINC000500306744 1069145775 /nfs/dbraw/zinc/14/57/75/1069145775.db2.gz RZSQSFYCUYAWPU-NUJGCVRESA-N 1 0 413.540 -0.014 20 0 HBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCn1ccnn1 ZINC000500306889 1069145652 /nfs/dbraw/zinc/14/56/52/1069145652.db2.gz SLSZBRVAKADLCH-FQEVSTJZSA-N 1 0 400.483 -0.120 20 0 HBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCn1ccnn1 ZINC000500306893 1069145960 /nfs/dbraw/zinc/14/59/60/1069145960.db2.gz SLSZBRVAKADLCH-HXUWFJFHSA-N 1 0 400.483 -0.120 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500311698 1069147995 /nfs/dbraw/zinc/14/79/95/1069147995.db2.gz CRMPVEMPZCQNMF-UHFFFAOYSA-N 1 0 407.519 -0.473 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000500314323 1069147846 /nfs/dbraw/zinc/14/78/46/1069147846.db2.gz KQYSXOMXDBCHLY-GFCCVEGCSA-N 1 0 419.529 -0.832 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000500314328 1069148037 /nfs/dbraw/zinc/14/80/37/1069148037.db2.gz KQYSXOMXDBCHLY-LBPRGKRZSA-N 1 0 419.529 -0.832 20 0 HBADRO O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCS(=O)(=O)CC1 ZINC000500366392 1069163937 /nfs/dbraw/zinc/16/39/37/1069163937.db2.gz ZILBURWSPOOXSY-UHFFFAOYSA-N 1 0 416.569 -0.631 20 0 HBADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000500372304 1069164774 /nfs/dbraw/zinc/16/47/74/1069164774.db2.gz IWDIAKLSGHKMGO-UHFFFAOYSA-N 1 0 416.569 -0.501 20 0 HBADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000500391404 1069167439 /nfs/dbraw/zinc/16/74/39/1069167439.db2.gz DLPPTBHDGLVAER-UHFFFAOYSA-N 1 0 421.523 -0.193 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000500398213 1069168165 /nfs/dbraw/zinc/16/81/65/1069168165.db2.gz ZDKMONUSFASUIS-OAHLLOKOSA-N 1 0 404.581 -0.418 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCC1 ZINC000500419772 1069171187 /nfs/dbraw/zinc/17/11/87/1069171187.db2.gz ARSDHBGYRZSCCQ-UHFFFAOYSA-N 1 0 417.514 -0.768 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CCC1 ZINC000500429003 1069172654 /nfs/dbraw/zinc/17/26/54/1069172654.db2.gz BPLQXJJFDFOCQR-UHFFFAOYSA-N 1 0 409.512 -0.485 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500429321 1069172633 /nfs/dbraw/zinc/17/26/33/1069172633.db2.gz VGHNTOVXLVPTSU-UHFFFAOYSA-N 1 0 400.487 -0.388 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCC1 ZINC000500432701 1069196470 /nfs/dbraw/zinc/19/64/70/1069196470.db2.gz FAQQFXJTVUJZQY-UHFFFAOYSA-N 1 0 415.494 -0.525 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000500456404 1069306648 /nfs/dbraw/zinc/30/66/48/1069306648.db2.gz JVBUXXYBERJZJD-HNNXBMFYSA-N 1 0 406.483 -0.084 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000500456405 1069306461 /nfs/dbraw/zinc/30/64/61/1069306461.db2.gz JVBUXXYBERJZJD-OAHLLOKOSA-N 1 0 406.483 -0.084 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc(S(C)(=O)=O)c1 ZINC000500456560 1069307023 /nfs/dbraw/zinc/30/70/23/1069307023.db2.gz KXVUHCHUBGKECY-CYBMUJFWSA-N 1 0 413.496 -0.048 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc(S(C)(=O)=O)c1 ZINC000500456562 1069307205 /nfs/dbraw/zinc/30/72/05/1069307205.db2.gz KXVUHCHUBGKECY-ZDUSSCGKSA-N 1 0 413.496 -0.048 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500457181 1069306886 /nfs/dbraw/zinc/30/68/86/1069306886.db2.gz NHLYMFNICIONEP-HNNXBMFYSA-N 1 0 418.560 -0.514 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500457182 1069307061 /nfs/dbraw/zinc/30/70/61/1069307061.db2.gz NHLYMFNICIONEP-OAHLLOKOSA-N 1 0 418.560 -0.514 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000500459022 1069307436 /nfs/dbraw/zinc/30/74/36/1069307436.db2.gz UWSUIHABEABWQA-HNNXBMFYSA-N 1 0 416.544 -0.760 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000500459023 1069307716 /nfs/dbraw/zinc/30/77/16/1069307716.db2.gz UWSUIHABEABWQA-OAHLLOKOSA-N 1 0 416.544 -0.760 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1F ZINC000500459591 1069306902 /nfs/dbraw/zinc/30/69/02/1069306902.db2.gz SPIYHJAUIJRRGF-GFCCVEGCSA-N 1 0 416.475 -0.413 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1F ZINC000500459592 1069307070 /nfs/dbraw/zinc/30/70/70/1069307070.db2.gz SPIYHJAUIJRRGF-LBPRGKRZSA-N 1 0 416.475 -0.413 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCC1 ZINC000500466590 1069308586 /nfs/dbraw/zinc/30/85/86/1069308586.db2.gz LJDOGAMQCJQIFT-UHFFFAOYSA-N 1 0 416.526 -0.163 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500471478 1069308122 /nfs/dbraw/zinc/30/81/22/1069308122.db2.gz UTDFQCNYNHTXMP-UHFFFAOYSA-N 1 0 418.560 -0.514 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NCC3([NH+](C)C)CCC3)no2)cn1 ZINC000500473068 1069308662 /nfs/dbraw/zinc/30/86/62/1069308662.db2.gz ZAZZLQJRULFBFF-AWEZNQCLSA-N 1 0 417.470 -0.030 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)NCC3([NH+](C)C)CCC3)no2)cn1 ZINC000500473076 1069308617 /nfs/dbraw/zinc/30/86/17/1069308617.db2.gz ZAZZLQJRULFBFF-CQSZACIVSA-N 1 0 417.470 -0.030 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1=O ZINC000500566743 1069320427 /nfs/dbraw/zinc/32/04/27/1069320427.db2.gz WEPNRTCWBDTJSD-KBPBESRZSA-N 1 0 404.471 -0.219 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1=O ZINC000500566744 1069320497 /nfs/dbraw/zinc/32/04/97/1069320497.db2.gz WEPNRTCWBDTJSD-KGLIPLIRSA-N 1 0 404.471 -0.219 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1=O ZINC000500566745 1069320279 /nfs/dbraw/zinc/32/02/79/1069320279.db2.gz WEPNRTCWBDTJSD-UONOGXRCSA-N 1 0 404.471 -0.219 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1=O ZINC000500566746 1069320355 /nfs/dbraw/zinc/32/03/55/1069320355.db2.gz WEPNRTCWBDTJSD-ZIAGYGMSSA-N 1 0 404.471 -0.219 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000500590886 1069322384 /nfs/dbraw/zinc/32/23/84/1069322384.db2.gz KKSPLSJYLXCMJH-AEFFLSMTSA-N 1 0 412.556 -0.224 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000500590887 1069322536 /nfs/dbraw/zinc/32/25/36/1069322536.db2.gz KKSPLSJYLXCMJH-FUHWJXTLSA-N 1 0 412.556 -0.224 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000500590888 1069322222 /nfs/dbraw/zinc/32/22/22/1069322222.db2.gz KKSPLSJYLXCMJH-SJLPKXTDSA-N 1 0 412.556 -0.224 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000500590889 1069322458 /nfs/dbraw/zinc/32/24/58/1069322458.db2.gz KKSPLSJYLXCMJH-WMZOPIPTSA-N 1 0 412.556 -0.224 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000500610177 1069323310 /nfs/dbraw/zinc/32/33/10/1069323310.db2.gz PWEIZPXHJVWQRO-INIZCTEOSA-N 1 0 411.528 -0.325 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000500610182 1069323611 /nfs/dbraw/zinc/32/36/11/1069323611.db2.gz PWEIZPXHJVWQRO-MRXNPFEDSA-N 1 0 411.528 -0.325 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC)c1 ZINC000500622304 1069324128 /nfs/dbraw/zinc/32/41/28/1069324128.db2.gz BYSNWMHFEFICIT-UHFFFAOYSA-N 1 0 413.500 -0.429 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H](C)O)cc1 ZINC000500631742 1069325304 /nfs/dbraw/zinc/32/53/04/1069325304.db2.gz AXMTXCCYYBAKRB-CRAIPNDOSA-N 1 0 413.540 -0.014 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@H](C)O)cc1 ZINC000500631745 1069325268 /nfs/dbraw/zinc/32/52/68/1069325268.db2.gz AXMTXCCYYBAKRB-MAUKXSAKSA-N 1 0 413.540 -0.014 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H](C)O)cc1 ZINC000500631747 1069325469 /nfs/dbraw/zinc/32/54/69/1069325469.db2.gz AXMTXCCYYBAKRB-QAPCUYQASA-N 1 0 413.540 -0.014 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@H](C)O)cc1 ZINC000500631750 1069325370 /nfs/dbraw/zinc/32/53/70/1069325370.db2.gz AXMTXCCYYBAKRB-YJBOKZPZSA-N 1 0 413.540 -0.014 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000500640032 1069325842 /nfs/dbraw/zinc/32/58/42/1069325842.db2.gz XUXDLFWCPOCKHF-CVEARBPZSA-N 1 0 418.494 -0.284 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000500640036 1069325944 /nfs/dbraw/zinc/32/59/44/1069325944.db2.gz XUXDLFWCPOCKHF-HOTGVXAUSA-N 1 0 418.494 -0.284 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000500640039 1069326422 /nfs/dbraw/zinc/32/64/22/1069326422.db2.gz XUXDLFWCPOCKHF-HZPDHXFCSA-N 1 0 418.494 -0.284 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000500640042 1069326156 /nfs/dbraw/zinc/32/61/56/1069326156.db2.gz XUXDLFWCPOCKHF-JKSUJKDBSA-N 1 0 418.494 -0.284 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1F ZINC000500659142 1069328244 /nfs/dbraw/zinc/32/82/44/1069328244.db2.gz VIEWULJJEIUPCC-UHFFFAOYSA-N 1 0 404.464 -0.291 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000500670306 1069329478 /nfs/dbraw/zinc/32/94/78/1069329478.db2.gz TZXDPXMAFFSNCN-UHFFFAOYSA-N 1 0 418.903 -0.401 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000500695360 1069331887 /nfs/dbraw/zinc/33/18/87/1069331887.db2.gz DHYMEPTXLYZQQJ-HNNXBMFYSA-N 1 0 420.601 -0.186 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000500695361 1069331760 /nfs/dbraw/zinc/33/17/60/1069331760.db2.gz DHYMEPTXLYZQQJ-OAHLLOKOSA-N 1 0 420.601 -0.186 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000500696804 1069332217 /nfs/dbraw/zinc/33/22/17/1069332217.db2.gz IIFQMIUWVQNKKZ-CVEARBPZSA-N 1 0 418.494 -0.236 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000500696806 1069332519 /nfs/dbraw/zinc/33/25/19/1069332519.db2.gz IIFQMIUWVQNKKZ-HOTGVXAUSA-N 1 0 418.494 -0.236 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000500696807 1069332345 /nfs/dbraw/zinc/33/23/45/1069332345.db2.gz IIFQMIUWVQNKKZ-HZPDHXFCSA-N 1 0 418.494 -0.236 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000500696809 1069332261 /nfs/dbraw/zinc/33/22/61/1069332261.db2.gz IIFQMIUWVQNKKZ-JKSUJKDBSA-N 1 0 418.494 -0.236 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000500697197 1069332322 /nfs/dbraw/zinc/33/23/22/1069332322.db2.gz LNIJDCGEMWJHEL-UHFFFAOYSA-N 1 0 404.464 -0.243 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000500699054 1069331982 /nfs/dbraw/zinc/33/19/82/1069331982.db2.gz QCZGPKPBCHRRNL-GFCCVEGCSA-N 1 0 413.500 -0.301 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000500699055 1069331840 /nfs/dbraw/zinc/33/18/40/1069331840.db2.gz QCZGPKPBCHRRNL-LBPRGKRZSA-N 1 0 413.500 -0.301 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCC1 ZINC000500763906 1069342332 /nfs/dbraw/zinc/34/23/32/1069342332.db2.gz KQKCJCFGMOMOLL-UHFFFAOYSA-N 1 0 403.531 -0.295 20 0 HBADRO Cn1c2ncn(CCC(=O)N(CC[NH+](C)C)Cc3ccccn3)c2c(=O)n(C)c1=O ZINC000500767068 1069342862 /nfs/dbraw/zinc/34/28/62/1069342862.db2.gz JHAPNZBXTABBHA-UHFFFAOYSA-N 1 0 413.482 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)no1 ZINC000500770176 1069343329 /nfs/dbraw/zinc/34/33/29/1069343329.db2.gz YRGHMGQFZGKXNW-UHFFFAOYSA-N 1 0 406.487 -0.334 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500777106 1069345284 /nfs/dbraw/zinc/34/52/84/1069345284.db2.gz DIMSCSNKSGWLND-INIZCTEOSA-N 1 0 411.547 -0.728 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500777125 1069345249 /nfs/dbraw/zinc/34/52/49/1069345249.db2.gz DIMSCSNKSGWLND-MRXNPFEDSA-N 1 0 411.547 -0.728 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCC1 ZINC000500780308 1069344657 /nfs/dbraw/zinc/34/46/57/1069344657.db2.gz LLAKMPYUAZGCBT-UHFFFAOYSA-N 1 0 413.500 -0.751 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500786143 1069345519 /nfs/dbraw/zinc/34/55/19/1069345519.db2.gz RPKNGJWOTMHUFO-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCN1c1nccn2cnnc12 ZINC000500787896 1069345506 /nfs/dbraw/zinc/34/55/06/1069345506.db2.gz XTUMZRSXKHZFRI-AWEZNQCLSA-N 1 0 400.487 -0.238 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCN1c1nccn2cnnc12 ZINC000500787897 1069345265 /nfs/dbraw/zinc/34/52/65/1069345265.db2.gz XTUMZRSXKHZFRI-CQSZACIVSA-N 1 0 400.487 -0.238 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCN1C(=O)CNC1=O ZINC000500799456 1069347428 /nfs/dbraw/zinc/34/74/28/1069347428.db2.gz GDOKUOXLIOUNIE-UHFFFAOYSA-N 1 0 404.475 -0.770 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1=O ZINC000500837140 1069350788 /nfs/dbraw/zinc/35/07/88/1069350788.db2.gz AFJBCPRMJUZOMC-CVEARBPZSA-N 1 0 416.544 -0.951 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1=O ZINC000500837141 1069350636 /nfs/dbraw/zinc/35/06/36/1069350636.db2.gz AFJBCPRMJUZOMC-HOTGVXAUSA-N 1 0 416.544 -0.951 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1=O ZINC000500837142 1069350689 /nfs/dbraw/zinc/35/06/89/1069350689.db2.gz AFJBCPRMJUZOMC-HZPDHXFCSA-N 1 0 416.544 -0.951 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1=O ZINC000500837143 1069350854 /nfs/dbraw/zinc/35/08/54/1069350854.db2.gz AFJBCPRMJUZOMC-JKSUJKDBSA-N 1 0 416.544 -0.951 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000500846855 1069353576 /nfs/dbraw/zinc/35/35/76/1069353576.db2.gz QMPHUMXXCRDBND-KRWDZBQOSA-N 1 0 402.561 -0.333 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000500846856 1069353707 /nfs/dbraw/zinc/35/37/07/1069353707.db2.gz QMPHUMXXCRDBND-QGZVFWFLSA-N 1 0 402.561 -0.333 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCN3C(=O)CNC3=O)c2)C1 ZINC000500857512 1069353625 /nfs/dbraw/zinc/35/36/25/1069353625.db2.gz HMHQBMIWSCJSEN-INIZCTEOSA-N 1 0 416.482 -0.265 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCN3C(=O)CNC3=O)c2)C1 ZINC000500857513 1069353831 /nfs/dbraw/zinc/35/38/31/1069353831.db2.gz HMHQBMIWSCJSEN-MRXNPFEDSA-N 1 0 416.482 -0.265 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000500866949 1069386103 /nfs/dbraw/zinc/38/61/03/1069386103.db2.gz WKKXKSICWQWTGN-KRWDZBQOSA-N 1 0 409.531 -0.037 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000500866951 1069386231 /nfs/dbraw/zinc/38/62/31/1069386231.db2.gz WKKXKSICWQWTGN-QGZVFWFLSA-N 1 0 409.531 -0.037 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1=O ZINC000500948883 1069458819 /nfs/dbraw/zinc/45/88/19/1069458819.db2.gz LMCYBHHVEKOEHQ-INIZCTEOSA-N 1 0 420.535 0.000 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1=O ZINC000500948884 1069458802 /nfs/dbraw/zinc/45/88/02/1069458802.db2.gz LMCYBHHVEKOEHQ-MRXNPFEDSA-N 1 0 420.535 0.000 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCc3cc(C(N)=O)no3)c2)CC1 ZINC000500986528 1069544167 /nfs/dbraw/zinc/54/41/67/1069544167.db2.gz WBNHPPBPMJXARS-UHFFFAOYSA-N 1 0 400.439 -0.224 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000500987890 1069544365 /nfs/dbraw/zinc/54/43/65/1069544365.db2.gz GZOCWZZYZCGDDE-UHFFFAOYSA-N 1 0 403.531 -0.203 20 0 HBADRO C[NH+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000500996418 1069545708 /nfs/dbraw/zinc/54/57/08/1069545708.db2.gz DUNOHZDSDBHOQZ-CYBMUJFWSA-N 1 0 404.514 -0.165 20 0 HBADRO C[NH+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000500996419 1069545784 /nfs/dbraw/zinc/54/57/84/1069545784.db2.gz DUNOHZDSDBHOQZ-ZDUSSCGKSA-N 1 0 404.514 -0.165 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000501032889 1069546235 /nfs/dbraw/zinc/54/62/35/1069546235.db2.gz GAWKVTZLJMBGQP-IKGGRYGDSA-N 1 0 409.531 -0.182 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000501032890 1069546199 /nfs/dbraw/zinc/54/61/99/1069546199.db2.gz GAWKVTZLJMBGQP-IXDOHACOSA-N 1 0 409.531 -0.182 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1=O ZINC000501032891 1069546373 /nfs/dbraw/zinc/54/63/73/1069546373.db2.gz GAWKVTZLJMBGQP-ULQDDVLXSA-N 1 0 409.531 -0.182 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1=O ZINC000501032892 1069546325 /nfs/dbraw/zinc/54/63/25/1069546325.db2.gz GAWKVTZLJMBGQP-YESZJQIVSA-N 1 0 409.531 -0.182 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000501039279 1069546713 /nfs/dbraw/zinc/54/67/13/1069546713.db2.gz ZIUSRCZBVHKLTJ-CABCVRRESA-N 1 0 409.487 -0.902 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000501039282 1069546826 /nfs/dbraw/zinc/54/68/26/1069546826.db2.gz ZIUSRCZBVHKLTJ-GJZGRUSLSA-N 1 0 409.487 -0.902 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000501039283 1069546750 /nfs/dbraw/zinc/54/67/50/1069546750.db2.gz ZIUSRCZBVHKLTJ-HUUCEWRRSA-N 1 0 409.487 -0.902 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000501039285 1069546857 /nfs/dbraw/zinc/54/68/57/1069546857.db2.gz ZIUSRCZBVHKLTJ-LSDHHAIUSA-N 1 0 409.487 -0.902 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000501039900 1069548840 /nfs/dbraw/zinc/54/88/40/1069548840.db2.gz HNOUEBJLZGWLQM-MSOLQXFVSA-N 1 0 418.494 -0.131 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000501039902 1069549390 /nfs/dbraw/zinc/54/93/90/1069549390.db2.gz HNOUEBJLZGWLQM-QZTJIDSGSA-N 1 0 418.494 -0.131 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000501039903 1069549327 /nfs/dbraw/zinc/54/93/27/1069549327.db2.gz HNOUEBJLZGWLQM-ROUUACIJSA-N 1 0 418.494 -0.131 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000501039905 1069549422 /nfs/dbraw/zinc/54/94/22/1069549422.db2.gz HNOUEBJLZGWLQM-ZWKOTPCHSA-N 1 0 418.494 -0.131 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000501044671 1069547333 /nfs/dbraw/zinc/54/73/33/1069547333.db2.gz KZILIUIDJFMLTB-HNNXBMFYSA-N 1 0 411.503 -0.654 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000501044672 1069547266 /nfs/dbraw/zinc/54/72/66/1069547266.db2.gz KZILIUIDJFMLTB-OAHLLOKOSA-N 1 0 411.503 -0.654 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000501045040 1069547378 /nfs/dbraw/zinc/54/73/78/1069547378.db2.gz MFESRBJWIHCGON-DLBZAZTESA-N 1 0 409.531 -0.038 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000501045041 1069547298 /nfs/dbraw/zinc/54/72/98/1069547298.db2.gz MFESRBJWIHCGON-IAGOWNOFSA-N 1 0 409.531 -0.038 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000501045042 1069547363 /nfs/dbraw/zinc/54/73/63/1069547363.db2.gz MFESRBJWIHCGON-IRXDYDNUSA-N 1 0 409.531 -0.038 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000501045043 1069547414 /nfs/dbraw/zinc/54/74/14/1069547414.db2.gz MFESRBJWIHCGON-SJORKVTESA-N 1 0 409.531 -0.038 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501056127 1069549262 /nfs/dbraw/zinc/54/92/62/1069549262.db2.gz VZWILLCXNGCNGO-DLBZAZTESA-N 1 0 417.572 -0.430 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501056128 1069549411 /nfs/dbraw/zinc/54/94/11/1069549411.db2.gz VZWILLCXNGCNGO-IAGOWNOFSA-N 1 0 417.572 -0.430 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000501056129 1069549293 /nfs/dbraw/zinc/54/92/93/1069549293.db2.gz VZWILLCXNGCNGO-IRXDYDNUSA-N 1 0 417.572 -0.430 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000501056130 1069549279 /nfs/dbraw/zinc/54/92/79/1069549279.db2.gz VZWILLCXNGCNGO-SJORKVTESA-N 1 0 417.572 -0.430 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)nc2n(C)c1=O ZINC000501075444 1069550372 /nfs/dbraw/zinc/55/03/72/1069550372.db2.gz IIZAKKPIICLODP-HNNXBMFYSA-N 1 0 414.510 -0.126 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)nc2n(C)c1=O ZINC000501075445 1069550490 /nfs/dbraw/zinc/55/04/90/1069550490.db2.gz IIZAKKPIICLODP-OAHLLOKOSA-N 1 0 414.510 -0.126 20 0 HBADRO O=C(CC[NH+]1CCC(O)(CN2CCOCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000501090225 1069550346 /nfs/dbraw/zinc/55/03/46/1069550346.db2.gz RVKCAZQKDFWFEO-UHFFFAOYSA-N 1 0 418.542 -0.326 20 0 HBADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000501092465 1069551141 /nfs/dbraw/zinc/55/11/41/1069551141.db2.gz XLGXDHQTNKYKOU-UHFFFAOYSA-N 1 0 419.461 -0.101 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000501094865 1069551050 /nfs/dbraw/zinc/55/10/50/1069551050.db2.gz QEDOTODHRZTKCJ-HNNXBMFYSA-N 1 0 417.514 -0.938 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000501094866 1069551085 /nfs/dbraw/zinc/55/10/85/1069551085.db2.gz QEDOTODHRZTKCJ-OAHLLOKOSA-N 1 0 417.514 -0.938 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501102552 1069551072 /nfs/dbraw/zinc/55/10/72/1069551072.db2.gz VIDAEXJDZZAWPQ-UHFFFAOYSA-N 1 0 409.487 -0.306 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000501110314 1069551186 /nfs/dbraw/zinc/55/11/86/1069551186.db2.gz KBKQRXOGOZVPIB-BGYRXZFFSA-N 1 0 422.618 -0.291 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000501110316 1069551033 /nfs/dbraw/zinc/55/10/33/1069551033.db2.gz KBKQRXOGOZVPIB-PMACEKPBSA-N 1 0 422.618 -0.291 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000501110317 1069551135 /nfs/dbraw/zinc/55/11/35/1069551135.db2.gz KBKQRXOGOZVPIB-WOJBJXKFSA-N 1 0 422.618 -0.291 20 0 HBADRO CC(C)[NH+]1CCN(CCCN2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000501114980 1069551656 /nfs/dbraw/zinc/55/16/56/1069551656.db2.gz XQJXQIULDWVAAN-UHFFFAOYSA-N 1 0 403.593 -0.403 20 0 HBADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000501115994 1069551633 /nfs/dbraw/zinc/55/16/33/1069551633.db2.gz RHHYXRBZYKWCMF-UHFFFAOYSA-N 1 0 420.510 -0.277 20 0 HBADRO NC(=O)COc1ccc(CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000501122016 1069552279 /nfs/dbraw/zinc/55/22/79/1069552279.db2.gz PABHXHBDYYWVMD-UHFFFAOYSA-N 1 0 420.510 -0.674 20 0 HBADRO CCN(C(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000501123524 1069551492 /nfs/dbraw/zinc/55/14/92/1069551492.db2.gz VXRWDKCTJGAYBW-INIZCTEOSA-N 1 0 403.545 -0.819 20 0 HBADRO CCN(C(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501123525 1069551737 /nfs/dbraw/zinc/55/17/37/1069551737.db2.gz VXRWDKCTJGAYBW-MRXNPFEDSA-N 1 0 403.545 -0.819 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)nc2c(=O)[nH]c1=O ZINC000501129136 1069551674 /nfs/dbraw/zinc/55/16/74/1069551674.db2.gz LBJYKPLNVTUETG-AWEZNQCLSA-N 1 0 417.514 -0.077 20 0 HBADRO Cn1c2[nH]c(CCC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)nc2c(=O)[nH]c1=O ZINC000501129137 1069551563 /nfs/dbraw/zinc/55/15/63/1069551563.db2.gz LBJYKPLNVTUETG-CQSZACIVSA-N 1 0 417.514 -0.077 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1C ZINC000501140244 1069552667 /nfs/dbraw/zinc/55/26/67/1069552667.db2.gz KHUCCPIWOAEGIK-INIZCTEOSA-N 1 0 412.560 -0.365 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1C ZINC000501140249 1069552719 /nfs/dbraw/zinc/55/27/19/1069552719.db2.gz KHUCCPIWOAEGIK-MRXNPFEDSA-N 1 0 412.560 -0.365 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000501142502 1069552827 /nfs/dbraw/zinc/55/28/27/1069552827.db2.gz OAWRJKCVHVCSQZ-PMACEKPBSA-N 1 0 421.586 -0.204 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000501142508 1069552860 /nfs/dbraw/zinc/55/28/60/1069552860.db2.gz OAWRJKCVHVCSQZ-UXHICEINSA-N 1 0 421.586 -0.204 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000501142510 1069552750 /nfs/dbraw/zinc/55/27/50/1069552750.db2.gz OAWRJKCVHVCSQZ-VQTJNVASSA-N 1 0 421.586 -0.204 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000501142511 1069552937 /nfs/dbraw/zinc/55/29/37/1069552937.db2.gz OAWRJKCVHVCSQZ-WOJBJXKFSA-N 1 0 421.586 -0.204 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C[C@@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000501144859 1069552694 /nfs/dbraw/zinc/55/26/94/1069552694.db2.gz XDAGZMABCHAIOR-HNNXBMFYSA-N 1 0 417.514 -0.938 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000501144861 1069552684 /nfs/dbraw/zinc/55/26/84/1069552684.db2.gz XDAGZMABCHAIOR-OAHLLOKOSA-N 1 0 417.514 -0.938 20 0 HBADRO CNC(=O)[C@@H](NC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000501147456 1069552308 /nfs/dbraw/zinc/55/23/08/1069552308.db2.gz JBVKQNXJPPVFLD-IBGZPJMESA-N 1 0 404.511 -0.251 20 0 HBADRO CNC(=O)[C@H](NC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000501147462 1069552206 /nfs/dbraw/zinc/55/22/06/1069552206.db2.gz JBVKQNXJPPVFLD-LJQANCHMSA-N 1 0 404.511 -0.251 20 0 HBADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000501184795 1069553890 /nfs/dbraw/zinc/55/38/90/1069553890.db2.gz DSIZNZSESZBKNK-UHFFFAOYSA-N 1 0 416.544 -0.157 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000501262100 1069555695 /nfs/dbraw/zinc/55/56/95/1069555695.db2.gz OHTKQAWPQMNZMA-CYBMUJFWSA-N 1 0 410.500 -0.001 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000501262147 1069555831 /nfs/dbraw/zinc/55/58/31/1069555831.db2.gz OHTKQAWPQMNZMA-ZDUSSCGKSA-N 1 0 410.500 -0.001 20 0 HBADRO CS(=O)(=O)NCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000501273537 1069556226 /nfs/dbraw/zinc/55/62/26/1069556226.db2.gz JMWSQIMSRSAMTQ-UHFFFAOYSA-N 1 0 404.514 -0.466 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000501310777 1069557485 /nfs/dbraw/zinc/55/74/85/1069557485.db2.gz LWYHIWRFHQNNCK-IXDOHACOSA-N 1 0 408.499 -0.842 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000501310778 1069557640 /nfs/dbraw/zinc/55/76/40/1069557640.db2.gz LWYHIWRFHQNNCK-YESZJQIVSA-N 1 0 408.499 -0.842 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000501326739 1069558554 /nfs/dbraw/zinc/55/85/54/1069558554.db2.gz QBOBFCJGNMPIIX-GASCZTMLSA-N 1 0 405.503 -0.676 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000501326741 1069558511 /nfs/dbraw/zinc/55/85/11/1069558511.db2.gz QBOBFCJGNMPIIX-GJZGRUSLSA-N 1 0 405.503 -0.676 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000501326743 1069558525 /nfs/dbraw/zinc/55/85/25/1069558525.db2.gz QBOBFCJGNMPIIX-HUUCEWRRSA-N 1 0 405.503 -0.676 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)CC1=O ZINC000501335213 1069559158 /nfs/dbraw/zinc/55/91/58/1069559158.db2.gz AVLIBFZBTSQTHZ-ARFHVFGLSA-N 1 0 408.499 -0.401 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)CC1=O ZINC000501335215 1069558957 /nfs/dbraw/zinc/55/89/57/1069558957.db2.gz AVLIBFZBTSQTHZ-BZUAXINKSA-N 1 0 408.499 -0.401 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)CC1=O ZINC000501335216 1069559076 /nfs/dbraw/zinc/55/90/76/1069559076.db2.gz AVLIBFZBTSQTHZ-OAGGEKHMSA-N 1 0 408.499 -0.401 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)CC1=O ZINC000501335217 1069559173 /nfs/dbraw/zinc/55/91/73/1069559173.db2.gz AVLIBFZBTSQTHZ-XHSDSOJGSA-N 1 0 408.499 -0.401 20 0 HBADRO COC(=O)c1cn(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)nn1 ZINC000501389574 1069560079 /nfs/dbraw/zinc/56/00/79/1069560079.db2.gz CFQMZJLTAHZJEK-HOTGVXAUSA-N 1 0 412.450 -0.220 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000501477969 1069564853 /nfs/dbraw/zinc/56/48/53/1069564853.db2.gz KNRHXXLUWPBNQO-UHFFFAOYSA-N 1 0 423.583 -0.108 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCN2CCOCC2)CC1 ZINC000501493049 1069565078 /nfs/dbraw/zinc/56/50/78/1069565078.db2.gz UBZJUYCYOCCELU-UHFFFAOYSA-N 1 0 417.510 -0.149 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000501505022 1069565253 /nfs/dbraw/zinc/56/52/53/1069565253.db2.gz BIQAUJFCCOXWEU-INIZCTEOSA-N 1 0 408.524 -0.218 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000501505023 1069565166 /nfs/dbraw/zinc/56/51/66/1069565166.db2.gz BIQAUJFCCOXWEU-MRXNPFEDSA-N 1 0 408.524 -0.218 20 0 HBADRO O=C(c1ccccc1)N1CC(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000501517135 1069565738 /nfs/dbraw/zinc/56/57/38/1069565738.db2.gz TYCMXMPBFSIPLW-UHFFFAOYSA-N 1 0 424.567 -0.180 20 0 HBADRO CC1CC[NH+](CCNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000501522614 1069565793 /nfs/dbraw/zinc/56/57/93/1069565793.db2.gz QCJOSJNJHNZCSN-UHFFFAOYSA-N 1 0 416.592 -0.462 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501525139 1069566098 /nfs/dbraw/zinc/56/60/98/1069566098.db2.gz ZYFQVBHNLNDNPB-DLBZAZTESA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501525140 1069566142 /nfs/dbraw/zinc/56/61/42/1069566142.db2.gz ZYFQVBHNLNDNPB-IAGOWNOFSA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000501552821 1069567036 /nfs/dbraw/zinc/56/70/36/1069567036.db2.gz QKXMBLICXWVZJG-KRWDZBQOSA-N 1 0 416.592 -0.462 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000501552823 1069567180 /nfs/dbraw/zinc/56/71/80/1069567180.db2.gz QKXMBLICXWVZJG-QGZVFWFLSA-N 1 0 416.592 -0.462 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501555390 1069567091 /nfs/dbraw/zinc/56/70/91/1069567091.db2.gz YDSUTBDSQGTXSC-DLBZAZTESA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501555391 1069567217 /nfs/dbraw/zinc/56/72/17/1069567217.db2.gz YDSUTBDSQGTXSC-IAGOWNOFSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581059 1069568092 /nfs/dbraw/zinc/56/80/92/1069568092.db2.gz FADSHDXFVGQYQG-DLBZAZTESA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581060 1069568320 /nfs/dbraw/zinc/56/83/20/1069568320.db2.gz FADSHDXFVGQYQG-IAGOWNOFSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581061 1069568143 /nfs/dbraw/zinc/56/81/43/1069568143.db2.gz FADSHDXFVGQYQG-IRXDYDNUSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581062 1069567981 /nfs/dbraw/zinc/56/79/81/1069567981.db2.gz FADSHDXFVGQYQG-SJORKVTESA-N 1 0 410.559 -0.093 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000501581122 1069568307 /nfs/dbraw/zinc/56/83/07/1069568307.db2.gz FQQXJKQNXHHEAZ-INIZCTEOSA-N 1 0 410.515 -0.689 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000501581123 1069568068 /nfs/dbraw/zinc/56/80/68/1069568068.db2.gz FQQXJKQNXHHEAZ-MRXNPFEDSA-N 1 0 410.515 -0.689 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501585115 1069567447 /nfs/dbraw/zinc/56/74/47/1069567447.db2.gz PIZAUHNJRIQGKO-HNNXBMFYSA-N 1 0 409.531 -0.988 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501585118 1069567604 /nfs/dbraw/zinc/56/76/04/1069567604.db2.gz PIZAUHNJRIQGKO-OAHLLOKOSA-N 1 0 409.531 -0.988 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cn1 ZINC000501585171 1069567498 /nfs/dbraw/zinc/56/74/98/1069567498.db2.gz PQNCZCVBWDJAGG-INIZCTEOSA-N 1 0 404.515 -0.314 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cn1 ZINC000501585172 1069567394 /nfs/dbraw/zinc/56/73/94/1069567394.db2.gz PQNCZCVBWDJAGG-MRXNPFEDSA-N 1 0 404.515 -0.314 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501587882 1069567466 /nfs/dbraw/zinc/56/74/66/1069567466.db2.gz JITILHCVBCVJMC-INIZCTEOSA-N 1 0 424.542 -0.301 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501587883 1069567739 /nfs/dbraw/zinc/56/77/39/1069567739.db2.gz JITILHCVBCVJMC-MRXNPFEDSA-N 1 0 424.542 -0.301 20 0 HBADRO CCC[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1CCOC ZINC000501591482 1069567695 /nfs/dbraw/zinc/56/76/95/1069567695.db2.gz FSHDQIIJCJRTMU-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO CCC[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1CCOC ZINC000501591483 1069567507 /nfs/dbraw/zinc/56/75/07/1069567507.db2.gz FSHDQIIJCJRTMU-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501592522 1069567563 /nfs/dbraw/zinc/56/75/63/1069567563.db2.gz DNUUOLLRVYWEKB-PBHICJAKSA-N 1 0 407.515 -0.334 20 0 HBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501592528 1069567578 /nfs/dbraw/zinc/56/75/78/1069567578.db2.gz DNUUOLLRVYWEKB-RHSMWYFYSA-N 1 0 407.515 -0.334 20 0 HBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501592530 1069567682 /nfs/dbraw/zinc/56/76/82/1069567682.db2.gz DNUUOLLRVYWEKB-WMLDXEAASA-N 1 0 407.515 -0.334 20 0 HBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501592532 1069567418 /nfs/dbraw/zinc/56/74/18/1069567418.db2.gz DNUUOLLRVYWEKB-YOEHRIQHSA-N 1 0 407.515 -0.334 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501593901 1069568708 /nfs/dbraw/zinc/56/87/08/1069568708.db2.gz ZDWYIUZCQGLPCV-KRWDZBQOSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501593902 1069568811 /nfs/dbraw/zinc/56/88/11/1069568811.db2.gz ZDWYIUZCQGLPCV-QGZVFWFLSA-N 1 0 423.558 -0.774 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501594690 1069568753 /nfs/dbraw/zinc/56/87/53/1069568753.db2.gz FQKJBJFDBBCXCY-INIZCTEOSA-N 1 0 400.545 -0.139 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501594727 1069568882 /nfs/dbraw/zinc/56/88/82/1069568882.db2.gz FQKJBJFDBBCXCY-MRXNPFEDSA-N 1 0 400.545 -0.139 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000501594736 1069568803 /nfs/dbraw/zinc/56/88/03/1069568803.db2.gz FQWANMNPUDCBGI-GFCCVEGCSA-N 1 0 406.405 -0.206 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000501594738 1069568730 /nfs/dbraw/zinc/56/87/30/1069568730.db2.gz FQWANMNPUDCBGI-LBPRGKRZSA-N 1 0 406.405 -0.206 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000501595324 1069568693 /nfs/dbraw/zinc/56/86/93/1069568693.db2.gz GNLCDXLURQMNSW-INIZCTEOSA-N 1 0 402.499 -0.258 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000501595325 1069568873 /nfs/dbraw/zinc/56/88/73/1069568873.db2.gz GNLCDXLURQMNSW-MRXNPFEDSA-N 1 0 402.499 -0.258 20 0 HBADRO CCC[C@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1CCOC ZINC000501597380 1069568907 /nfs/dbraw/zinc/56/89/07/1069568907.db2.gz UCWRHOJYLLURBZ-HNNXBMFYSA-N 1 0 405.499 -0.002 20 0 HBADRO CCC[C@@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@@H+]1CCOC ZINC000501597381 1069568773 /nfs/dbraw/zinc/56/87/73/1069568773.db2.gz UCWRHOJYLLURBZ-OAHLLOKOSA-N 1 0 405.499 -0.002 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597670 1069569312 /nfs/dbraw/zinc/56/93/12/1069569312.db2.gz NVJXSVVHNMNDRZ-DLBZAZTESA-N 1 0 424.542 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597671 1069569193 /nfs/dbraw/zinc/56/91/93/1069569193.db2.gz NVJXSVVHNMNDRZ-IAGOWNOFSA-N 1 0 424.542 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597672 1069569250 /nfs/dbraw/zinc/56/92/50/1069569250.db2.gz NVJXSVVHNMNDRZ-IRXDYDNUSA-N 1 0 424.542 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597674 1069569378 /nfs/dbraw/zinc/56/93/78/1069569378.db2.gz NVJXSVVHNMNDRZ-SJORKVTESA-N 1 0 424.542 -0.301 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000501601720 1069568190 /nfs/dbraw/zinc/56/81/90/1069568190.db2.gz WQVFQERSMPHXMS-MSOLQXFVSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000501601727 1069568119 /nfs/dbraw/zinc/56/81/19/1069568119.db2.gz WQVFQERSMPHXMS-QZTJIDSGSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000501601728 1069568217 /nfs/dbraw/zinc/56/82/17/1069568217.db2.gz WQVFQERSMPHXMS-ROUUACIJSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000501601729 1069568020 /nfs/dbraw/zinc/56/80/20/1069568020.db2.gz WQVFQERSMPHXMS-ZWKOTPCHSA-N 1 0 408.543 -0.216 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]1COCC2 ZINC000501601931 1069481943 /nfs/dbraw/zinc/48/19/43/1069481943.db2.gz XFCWAZIBTDMZBU-CKJXQJPGSA-N 1 0 423.510 -0.358 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]1COCC2 ZINC000501601958 1069481975 /nfs/dbraw/zinc/48/19/75/1069481975.db2.gz XFCWAZIBTDMZBU-VWKPWSFCSA-N 1 0 423.510 -0.358 20 0 HBADRO CCC[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000501605199 1069567999 /nfs/dbraw/zinc/56/79/99/1069567999.db2.gz IZEICIAVRFJGRF-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO CCC[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCOC ZINC000501605202 1069568849 /nfs/dbraw/zinc/56/88/49/1069568849.db2.gz IZEICIAVRFJGRF-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000501611474 1069569212 /nfs/dbraw/zinc/56/92/12/1069569212.db2.gz DTKXBCVKLTZICC-INIZCTEOSA-N 1 0 405.499 -0.064 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000501611475 1069569334 /nfs/dbraw/zinc/56/93/34/1069569334.db2.gz DTKXBCVKLTZICC-MRXNPFEDSA-N 1 0 405.499 -0.064 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501612894 1069569368 /nfs/dbraw/zinc/56/93/68/1069569368.db2.gz LJXXZUCQZFCFDV-HNNXBMFYSA-N 1 0 416.544 -0.903 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501612895 1069569274 /nfs/dbraw/zinc/56/92/74/1069569274.db2.gz LJXXZUCQZFCFDV-OAHLLOKOSA-N 1 0 416.544 -0.903 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000501613285 1069569243 /nfs/dbraw/zinc/56/92/43/1069569243.db2.gz MHLJECCJYNPDNN-AEFFLSMTSA-N 1 0 422.526 -0.547 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000501613286 1069569283 /nfs/dbraw/zinc/56/92/83/1069569283.db2.gz MHLJECCJYNPDNN-FUHWJXTLSA-N 1 0 422.526 -0.547 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000501613287 1069569361 /nfs/dbraw/zinc/56/93/61/1069569361.db2.gz MHLJECCJYNPDNN-SJLPKXTDSA-N 1 0 422.526 -0.547 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000501613288 1069569160 /nfs/dbraw/zinc/56/91/60/1069569160.db2.gz MHLJECCJYNPDNN-WMZOPIPTSA-N 1 0 422.526 -0.547 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1)NC1CC1 ZINC000501613789 1069569820 /nfs/dbraw/zinc/56/98/20/1069569820.db2.gz NMABCQBFZBBMJO-GOSISDBHSA-N 1 0 405.543 -0.210 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1)NC1CC1 ZINC000501613790 1069569856 /nfs/dbraw/zinc/56/98/56/1069569856.db2.gz NMABCQBFZBBMJO-SFHVURJKSA-N 1 0 405.543 -0.210 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501615949 1069569793 /nfs/dbraw/zinc/56/97/93/1069569793.db2.gz WJQDFLCDTHPVCX-KRWDZBQOSA-N 1 0 419.526 -0.684 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501615950 1069569763 /nfs/dbraw/zinc/56/97/63/1069569763.db2.gz WJQDFLCDTHPVCX-QGZVFWFLSA-N 1 0 419.526 -0.684 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000501618754 1069569807 /nfs/dbraw/zinc/56/98/07/1069569807.db2.gz WUWPEOKUYAEFJB-HKUYNNGSSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000501618755 1069569933 /nfs/dbraw/zinc/56/99/33/1069569933.db2.gz WUWPEOKUYAEFJB-IEBWSBKVSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000501618756 1069569998 /nfs/dbraw/zinc/56/99/98/1069569998.db2.gz WUWPEOKUYAEFJB-MJGOQNOKSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000501619245 1069569722 /nfs/dbraw/zinc/56/97/22/1069569722.db2.gz WUWPEOKUYAEFJB-PKOBYXMFSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000501619895 1069569943 /nfs/dbraw/zinc/56/99/43/1069569943.db2.gz YKGVMHOUWNNYAQ-INIZCTEOSA-N 1 0 402.499 -0.258 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000501619898 1069569966 /nfs/dbraw/zinc/56/99/66/1069569966.db2.gz YKGVMHOUWNNYAQ-MRXNPFEDSA-N 1 0 402.499 -0.258 20 0 HBADRO CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1CCOC ZINC000501620064 1069569882 /nfs/dbraw/zinc/56/98/82/1069569882.db2.gz QYCMFSDEGHOTQD-CYBMUJFWSA-N 1 0 415.516 -0.649 20 0 HBADRO CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1CCOC ZINC000501620065 1069569973 /nfs/dbraw/zinc/56/99/73/1069569973.db2.gz QYCMFSDEGHOTQD-ZDUSSCGKSA-N 1 0 415.516 -0.649 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1)NC1CC1 ZINC000501621618 1069569838 /nfs/dbraw/zinc/56/98/38/1069569838.db2.gz GVHCHRQEZGRHOC-INIZCTEOSA-N 1 0 421.542 -0.974 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1)NC1CC1 ZINC000501621619 1069570019 /nfs/dbraw/zinc/57/00/19/1069570019.db2.gz GVHCHRQEZGRHOC-MRXNPFEDSA-N 1 0 421.542 -0.974 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622609 1069569952 /nfs/dbraw/zinc/56/99/52/1069569952.db2.gz ITOYHKGZKFXIQM-CVEARBPZSA-N 1 0 400.545 -0.093 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622610 1069569908 /nfs/dbraw/zinc/56/99/08/1069569908.db2.gz ITOYHKGZKFXIQM-HOTGVXAUSA-N 1 0 400.545 -0.093 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622611 1069570284 /nfs/dbraw/zinc/57/02/84/1069570284.db2.gz ITOYHKGZKFXIQM-HZPDHXFCSA-N 1 0 400.545 -0.093 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622612 1069570437 /nfs/dbraw/zinc/57/04/37/1069570437.db2.gz ITOYHKGZKFXIQM-JKSUJKDBSA-N 1 0 400.545 -0.093 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1=O ZINC000501627692 1069569733 /nfs/dbraw/zinc/56/97/33/1069569733.db2.gz SXYSJOAENNGWQZ-KRWDZBQOSA-N 1 0 416.526 -0.190 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1=O ZINC000501627697 1069570006 /nfs/dbraw/zinc/57/00/06/1069570006.db2.gz SXYSJOAENNGWQZ-QGZVFWFLSA-N 1 0 416.526 -0.190 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501631127 1069570456 /nfs/dbraw/zinc/57/04/56/1069570456.db2.gz XWLLGZXMQWPESF-KRWDZBQOSA-N 1 0 423.558 -0.728 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501631128 1069570311 /nfs/dbraw/zinc/57/03/11/1069570311.db2.gz XWLLGZXMQWPESF-QGZVFWFLSA-N 1 0 423.558 -0.728 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2=O)cn1 ZINC000501635709 1069570509 /nfs/dbraw/zinc/57/05/09/1069570509.db2.gz CGUSGUCZFZRYHU-INIZCTEOSA-N 1 0 402.499 -0.024 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2=O)cn1 ZINC000501635710 1069570539 /nfs/dbraw/zinc/57/05/39/1069570539.db2.gz CGUSGUCZFZRYHU-MRXNPFEDSA-N 1 0 402.499 -0.024 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636612 1069570319 /nfs/dbraw/zinc/57/03/19/1069570319.db2.gz IGBNTLBZBLEXJQ-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636613 1069570592 /nfs/dbraw/zinc/57/05/92/1069570592.db2.gz IGBNTLBZBLEXJQ-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2=O)cn1 ZINC000501636706 1069571215 /nfs/dbraw/zinc/57/12/15/1069571215.db2.gz IUIUMDXKKAEJAG-HNNXBMFYSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2=O)cn1 ZINC000501636707 1069571082 /nfs/dbraw/zinc/57/10/82/1069571082.db2.gz IUIUMDXKKAEJAG-OAHLLOKOSA-N 1 0 418.498 -0.788 20 0 HBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638798 1069571005 /nfs/dbraw/zinc/57/10/05/1069571005.db2.gz MLTDREBACZSLCW-DLBZAZTESA-N 1 0 409.531 -0.988 20 0 HBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638799 1069571221 /nfs/dbraw/zinc/57/12/21/1069571221.db2.gz MLTDREBACZSLCW-IAGOWNOFSA-N 1 0 409.531 -0.988 20 0 HBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638800 1069570914 /nfs/dbraw/zinc/57/09/14/1069570914.db2.gz MLTDREBACZSLCW-IRXDYDNUSA-N 1 0 409.531 -0.988 20 0 HBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638801 1069571092 /nfs/dbraw/zinc/57/10/92/1069571092.db2.gz MLTDREBACZSLCW-SJORKVTESA-N 1 0 409.531 -0.988 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501639044 1069571265 /nfs/dbraw/zinc/57/12/65/1069571265.db2.gz KZDPGKTVTNULDL-CVEARBPZSA-N 1 0 400.545 -0.093 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501639045 1069570984 /nfs/dbraw/zinc/57/09/84/1069570984.db2.gz KZDPGKTVTNULDL-HOTGVXAUSA-N 1 0 400.545 -0.093 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501639046 1069570877 /nfs/dbraw/zinc/57/08/77/1069570877.db2.gz KZDPGKTVTNULDL-HZPDHXFCSA-N 1 0 400.545 -0.093 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501639047 1069571171 /nfs/dbraw/zinc/57/11/71/1069571171.db2.gz KZDPGKTVTNULDL-JKSUJKDBSA-N 1 0 400.545 -0.093 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000501641638 1069570896 /nfs/dbraw/zinc/57/08/96/1069570896.db2.gz BMMLISJKMZHAAO-INIZCTEOSA-N 1 0 403.483 -0.126 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000501641640 1069571250 /nfs/dbraw/zinc/57/12/50/1069571250.db2.gz BMMLISJKMZHAAO-MRXNPFEDSA-N 1 0 403.483 -0.126 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501645484 1069570958 /nfs/dbraw/zinc/57/09/58/1069570958.db2.gz ULXWYBKSOJLPGS-HZPDHXFCSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501645486 1069571188 /nfs/dbraw/zinc/57/11/88/1069571188.db2.gz ULXWYBKSOJLPGS-JKSUJKDBSA-N 1 0 400.545 -0.093 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1CC(C)(C)O ZINC000501646971 1069571547 /nfs/dbraw/zinc/57/15/47/1069571547.db2.gz OWVKVBBROBSNQX-DLBZAZTESA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1CC(C)(C)O ZINC000501646974 1069571814 /nfs/dbraw/zinc/57/18/14/1069571814.db2.gz OWVKVBBROBSNQX-IAGOWNOFSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1CC(C)(C)O ZINC000501646977 1069571725 /nfs/dbraw/zinc/57/17/25/1069571725.db2.gz OWVKVBBROBSNQX-IRXDYDNUSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1CC(C)(C)O ZINC000501646980 1069571693 /nfs/dbraw/zinc/57/16/93/1069571693.db2.gz OWVKVBBROBSNQX-SJORKVTESA-N 1 0 410.559 -0.093 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000501651836 1069571260 /nfs/dbraw/zinc/57/12/60/1069571260.db2.gz YRBSGHJYXBKQQR-HNNXBMFYSA-N 1 0 420.489 -0.119 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000501651837 1069571059 /nfs/dbraw/zinc/57/10/59/1069571059.db2.gz YRBSGHJYXBKQQR-OAHLLOKOSA-N 1 0 420.489 -0.119 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cn1 ZINC000501652163 1069571203 /nfs/dbraw/zinc/57/12/03/1069571203.db2.gz ZTRLZMJTQPJPDW-KRWDZBQOSA-N 1 0 418.542 -0.319 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cn1 ZINC000501652164 1069571276 /nfs/dbraw/zinc/57/12/76/1069571276.db2.gz ZTRLZMJTQPJPDW-QGZVFWFLSA-N 1 0 418.542 -0.319 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000501701800 1069572567 /nfs/dbraw/zinc/57/25/67/1069572567.db2.gz BKJFCRUCHZGDSG-JQHSSLGASA-N 1 0 402.495 -0.013 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000501701814 1069573167 /nfs/dbraw/zinc/57/31/67/1069573167.db2.gz BKJFCRUCHZGDSG-NJAFHUGGSA-N 1 0 402.495 -0.013 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000501701817 1069573283 /nfs/dbraw/zinc/57/32/83/1069573283.db2.gz BKJFCRUCHZGDSG-NXHRZFHOSA-N 1 0 402.495 -0.013 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000501701821 1069573246 /nfs/dbraw/zinc/57/32/46/1069573246.db2.gz BKJFCRUCHZGDSG-SZMVWBNQSA-N 1 0 402.495 -0.013 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000501712549 1069573337 /nfs/dbraw/zinc/57/33/37/1069573337.db2.gz WREAQYCVCDLYQF-JTQLQIEISA-N 1 0 422.301 -0.170 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000501712559 1069573234 /nfs/dbraw/zinc/57/32/34/1069573234.db2.gz WREAQYCVCDLYQF-SNVBAGLBSA-N 1 0 422.301 -0.170 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000501726892 1069573680 /nfs/dbraw/zinc/57/36/80/1069573680.db2.gz DOFDCSOBLOEIMA-DJIMGWMZSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000501726893 1069573801 /nfs/dbraw/zinc/57/38/01/1069573801.db2.gz DOFDCSOBLOEIMA-HYVNUMGLSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000501726894 1069573815 /nfs/dbraw/zinc/57/38/15/1069573815.db2.gz DOFDCSOBLOEIMA-OIISXLGYSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000501726895 1069573657 /nfs/dbraw/zinc/57/36/57/1069573657.db2.gz DOFDCSOBLOEIMA-PVAVHDDUSA-N 1 0 408.524 -0.097 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000501733822 1069573885 /nfs/dbraw/zinc/57/38/85/1069573885.db2.gz KYRHZLGFWHYLCE-UHFFFAOYSA-N 1 0 412.498 -0.025 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000501832515 1069575593 /nfs/dbraw/zinc/57/55/93/1069575593.db2.gz QSHKHPAXULREGO-KRWDZBQOSA-N 1 0 416.592 -0.320 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000501832516 1069575633 /nfs/dbraw/zinc/57/56/33/1069575633.db2.gz QSHKHPAXULREGO-QGZVFWFLSA-N 1 0 416.592 -0.320 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCN1CCNC(=O)C1 ZINC000501854308 1069576235 /nfs/dbraw/zinc/57/62/35/1069576235.db2.gz LAHQSSOPCCRQQZ-UHFFFAOYSA-N 1 0 402.543 -0.123 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000501854504 1069576230 /nfs/dbraw/zinc/57/62/30/1069576230.db2.gz ZGRMQEOHYALJSW-INIZCTEOSA-N 1 0 403.549 -0.235 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000501854505 1069576121 /nfs/dbraw/zinc/57/61/21/1069576121.db2.gz ZGRMQEOHYALJSW-MRXNPFEDSA-N 1 0 403.549 -0.235 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000501877196 1069577341 /nfs/dbraw/zinc/57/73/41/1069577341.db2.gz QOWPZENDGZESNT-HKUYNNGSSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000501877197 1069577151 /nfs/dbraw/zinc/57/71/51/1069577151.db2.gz QOWPZENDGZESNT-IEBWSBKVSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000501877198 1069577263 /nfs/dbraw/zinc/57/72/63/1069577263.db2.gz QOWPZENDGZESNT-MJGOQNOKSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000501877199 1069577075 /nfs/dbraw/zinc/57/70/75/1069577075.db2.gz QOWPZENDGZESNT-PKOBYXMFSA-N 1 0 409.575 -0.256 20 0 HBADRO CCN1CCN(CC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C(=O)C1=O ZINC000501935239 1069579569 /nfs/dbraw/zinc/57/95/69/1069579569.db2.gz PPHOCGNOLWIWOR-UHFFFAOYSA-N 1 0 423.558 -0.380 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000501944265 1069578715 /nfs/dbraw/zinc/57/87/15/1069578715.db2.gz FFEXXQQFYAWEDX-CVEARBPZSA-N 1 0 416.530 -0.601 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000501944266 1069578838 /nfs/dbraw/zinc/57/88/38/1069578838.db2.gz FFEXXQQFYAWEDX-HOTGVXAUSA-N 1 0 416.530 -0.601 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000501944268 1069578752 /nfs/dbraw/zinc/57/87/52/1069578752.db2.gz FFEXXQQFYAWEDX-HZPDHXFCSA-N 1 0 416.530 -0.601 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000501944271 1069578801 /nfs/dbraw/zinc/57/88/01/1069578801.db2.gz FFEXXQQFYAWEDX-JKSUJKDBSA-N 1 0 416.530 -0.601 20 0 HBADRO Cn1c(=O)ccn(CC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1=O ZINC000501956592 1069580551 /nfs/dbraw/zinc/58/05/51/1069580551.db2.gz JGOBRGVZPCGHKX-UHFFFAOYSA-N 1 0 407.515 -0.510 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000501962660 1069580271 /nfs/dbraw/zinc/58/02/71/1069580271.db2.gz ZWPMBCXFVIMABV-UHFFFAOYSA-N 1 0 402.561 -0.036 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H](C)C1 ZINC000501981974 1069580721 /nfs/dbraw/zinc/58/07/21/1069580721.db2.gz WJYBLSVTROUGNP-MSOLQXFVSA-N 1 0 424.567 -0.094 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H](C)C1 ZINC000501981983 1069581160 /nfs/dbraw/zinc/58/11/60/1069581160.db2.gz WJYBLSVTROUGNP-QZTJIDSGSA-N 1 0 424.567 -0.094 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000501981986 1069581205 /nfs/dbraw/zinc/58/12/05/1069581205.db2.gz WJYBLSVTROUGNP-ROUUACIJSA-N 1 0 424.567 -0.094 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000501981989 1069581131 /nfs/dbraw/zinc/58/11/31/1069581131.db2.gz WJYBLSVTROUGNP-ZWKOTPCHSA-N 1 0 424.567 -0.094 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@@H](C)C1 ZINC000502004038 1069582441 /nfs/dbraw/zinc/58/24/41/1069582441.db2.gz CWGVAEVMIXJNKH-ILXRZTDVSA-N 1 0 410.540 -0.002 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H](C)C1 ZINC000502004047 1069582137 /nfs/dbraw/zinc/58/21/37/1069582137.db2.gz CWGVAEVMIXJNKH-KFWWJZLASA-N 1 0 410.540 -0.002 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@@H](C)C1 ZINC000502004054 1069582192 /nfs/dbraw/zinc/58/21/92/1069582192.db2.gz CWGVAEVMIXJNKH-KKUMJFAQSA-N 1 0 410.540 -0.002 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@H](C)C1 ZINC000502004060 1069582336 /nfs/dbraw/zinc/58/23/36/1069582336.db2.gz CWGVAEVMIXJNKH-ZNMIVQPWSA-N 1 0 410.540 -0.002 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)NCCS(=O)(=O)N3CCSCC3)n2)CC1 ZINC000502031064 1069586098 /nfs/dbraw/zinc/58/60/98/1069586098.db2.gz KMFHLNVRNXFETA-UHFFFAOYSA-N 1 0 413.569 -0.058 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000502034995 1069586493 /nfs/dbraw/zinc/58/64/93/1069586493.db2.gz VTTIKFLRVMTXKZ-UHFFFAOYSA-N 1 0 402.499 -0.358 20 0 HBADRO C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000502037162 1069586537 /nfs/dbraw/zinc/58/65/37/1069586537.db2.gz OYDBQLKDSCMSOV-AWEZNQCLSA-N 1 0 409.512 -0.791 20 0 HBADRO C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000502037163 1069586717 /nfs/dbraw/zinc/58/67/17/1069586717.db2.gz OYDBQLKDSCMSOV-CQSZACIVSA-N 1 0 409.512 -0.791 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000502038509 1069586791 /nfs/dbraw/zinc/58/67/91/1069586791.db2.gz WMTVKYOSGFNNFA-UHFFFAOYSA-N 1 0 402.499 -0.356 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)CC1 ZINC000502041963 1069587186 /nfs/dbraw/zinc/58/71/86/1069587186.db2.gz PZKIDKUGYXPUDC-UHFFFAOYSA-N 1 0 410.478 -0.022 20 0 HBADRO COCC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000502042467 1069587353 /nfs/dbraw/zinc/58/73/53/1069587353.db2.gz TYWQMJJTFKCAJJ-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2)CC1 ZINC000502055270 1069587739 /nfs/dbraw/zinc/58/77/39/1069587739.db2.gz DZAOHZAPBYHTKY-UHFFFAOYSA-N 1 0 416.526 -0.550 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2)CC1 ZINC000502070763 1069589578 /nfs/dbraw/zinc/58/95/78/1069589578.db2.gz INVFYASNRFQKEO-INIZCTEOSA-N 1 0 407.540 -0.222 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n2)CC1 ZINC000502070764 1069589625 /nfs/dbraw/zinc/58/96/25/1069589625.db2.gz INVFYASNRFQKEO-MRXNPFEDSA-N 1 0 407.540 -0.222 20 0 HBADRO CCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000502079074 1069589707 /nfs/dbraw/zinc/58/97/07/1069589707.db2.gz MUKFTBXIFXJANG-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)n2)CC1 ZINC000502082162 1069590144 /nfs/dbraw/zinc/59/01/44/1069590144.db2.gz USUIHEMCLMOMJN-UHFFFAOYSA-N 1 0 416.526 -0.550 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccn1 ZINC000502089342 1069590125 /nfs/dbraw/zinc/59/01/25/1069590125.db2.gz AWYOBSCKNGVTPL-UHFFFAOYSA-N 1 0 419.482 -0.835 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)c1nnnn1-c1ccccc1 ZINC000502114217 1069592467 /nfs/dbraw/zinc/59/24/67/1069592467.db2.gz QQULAGHIOWZPFA-AWEZNQCLSA-N 1 0 401.471 -0.245 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)c1nnnn1-c1ccccc1 ZINC000502114218 1069592196 /nfs/dbraw/zinc/59/21/96/1069592196.db2.gz QQULAGHIOWZPFA-CQSZACIVSA-N 1 0 401.471 -0.245 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)c1nnnn1-c1ccccc1 ZINC000502118284 1069593831 /nfs/dbraw/zinc/59/38/31/1069593831.db2.gz WEOCUKBAVDXEKU-INIZCTEOSA-N 1 0 414.514 -0.065 20 0 HBADRO C[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)c1nnnn1-c1ccccc1 ZINC000502118285 1069594007 /nfs/dbraw/zinc/59/40/07/1069594007.db2.gz WEOCUKBAVDXEKU-MRXNPFEDSA-N 1 0 414.514 -0.065 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1=O ZINC000502125353 1069592951 /nfs/dbraw/zinc/59/29/51/1069592951.db2.gz XLMHXQTUMAMIPO-CHWSQXEVSA-N 1 0 403.526 -0.591 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1=O ZINC000502125357 1069593019 /nfs/dbraw/zinc/59/30/19/1069593019.db2.gz XLMHXQTUMAMIPO-OLZOCXBDSA-N 1 0 403.526 -0.591 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1=O ZINC000502126171 1069592969 /nfs/dbraw/zinc/59/29/69/1069592969.db2.gz XLMHXQTUMAMIPO-QWHCGFSZSA-N 1 0 403.526 -0.591 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1=O ZINC000502126174 1069592855 /nfs/dbraw/zinc/59/28/55/1069592855.db2.gz XLMHXQTUMAMIPO-STQMWFEESA-N 1 0 403.526 -0.591 20 0 HBADRO CCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000502167170 1069594989 /nfs/dbraw/zinc/59/49/89/1069594989.db2.gz KLMUUZRJVJUZRF-UHFFFAOYSA-N 1 0 416.592 -0.320 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000502176097 1069595045 /nfs/dbraw/zinc/59/50/45/1069595045.db2.gz YAGFKCFQZABJEP-AWEZNQCLSA-N 1 0 421.589 -0.748 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000502176098 1069594832 /nfs/dbraw/zinc/59/48/32/1069594832.db2.gz YAGFKCFQZABJEP-CQSZACIVSA-N 1 0 421.589 -0.748 20 0 HBADRO CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000502192744 1069595425 /nfs/dbraw/zinc/59/54/25/1069595425.db2.gz RJBZNYBLNFOPBF-UHFFFAOYSA-N 1 0 410.540 -0.132 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000502216903 1069597272 /nfs/dbraw/zinc/59/72/72/1069597272.db2.gz OFNHYQDHPDLVAK-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCN1C1CC[NH+](C)CC1 ZINC000502231966 1069600243 /nfs/dbraw/zinc/60/02/43/1069600243.db2.gz NTFGRYYYHSIMKT-BPQIPLTHSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCN1C1CC[NH+](C)CC1 ZINC000502232098 1069599571 /nfs/dbraw/zinc/59/95/71/1069599571.db2.gz NTFGRYYYHSIMKT-KBAYOESNSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCN1C1CC[NH+](C)CC1 ZINC000502232100 1069599482 /nfs/dbraw/zinc/59/94/82/1069599482.db2.gz NTFGRYYYHSIMKT-NJAFHUGGSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCN1C1CC[NH+](C)CC1 ZINC000502232102 1069600268 /nfs/dbraw/zinc/60/02/68/1069600268.db2.gz NTFGRYYYHSIMKT-NXHRZFHOSA-N 1 0 405.543 -0.117 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502234185 1069600228 /nfs/dbraw/zinc/60/02/28/1069600228.db2.gz SEYBPYMPMBTTLY-CVEARBPZSA-N 1 0 407.515 -0.731 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502234190 1069601169 /nfs/dbraw/zinc/60/11/69/1069601169.db2.gz SEYBPYMPMBTTLY-HOTGVXAUSA-N 1 0 407.515 -0.731 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502234192 1069601084 /nfs/dbraw/zinc/60/10/84/1069601084.db2.gz SEYBPYMPMBTTLY-HZPDHXFCSA-N 1 0 407.515 -0.731 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502234194 1069601187 /nfs/dbraw/zinc/60/11/87/1069601187.db2.gz SEYBPYMPMBTTLY-JKSUJKDBSA-N 1 0 407.515 -0.731 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502236974 1069601937 /nfs/dbraw/zinc/60/19/37/1069601937.db2.gz ANMLQFYTVAPPBU-CVEARBPZSA-N 1 0 405.499 -0.977 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502236975 1069601830 /nfs/dbraw/zinc/60/18/30/1069601830.db2.gz ANMLQFYTVAPPBU-HOTGVXAUSA-N 1 0 405.499 -0.977 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502236977 1069601978 /nfs/dbraw/zinc/60/19/78/1069601978.db2.gz ANMLQFYTVAPPBU-HZPDHXFCSA-N 1 0 405.499 -0.977 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502236979 1069601888 /nfs/dbraw/zinc/60/18/88/1069601888.db2.gz ANMLQFYTVAPPBU-JKSUJKDBSA-N 1 0 405.499 -0.977 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502238066 1069597840 /nfs/dbraw/zinc/59/78/40/1069597840.db2.gz WXOUJZKXYMHZGV-FGTMMUONSA-N 1 0 405.543 -0.116 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502238068 1069597886 /nfs/dbraw/zinc/59/78/86/1069597886.db2.gz WXOUJZKXYMHZGV-KURKYZTESA-N 1 0 405.543 -0.116 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502238070 1069597811 /nfs/dbraw/zinc/59/78/11/1069597811.db2.gz WXOUJZKXYMHZGV-KZNAEPCWSA-N 1 0 405.543 -0.116 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502238072 1069597853 /nfs/dbraw/zinc/59/78/53/1069597853.db2.gz WXOUJZKXYMHZGV-SQNIBIBYSA-N 1 0 405.543 -0.116 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000502244753 1069599076 /nfs/dbraw/zinc/59/90/76/1069599076.db2.gz AGKAROMJTPOOKQ-MSOLQXFVSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000502244756 1069598916 /nfs/dbraw/zinc/59/89/16/1069598916.db2.gz AGKAROMJTPOOKQ-QZTJIDSGSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000502244758 1069599024 /nfs/dbraw/zinc/59/90/24/1069599024.db2.gz AGKAROMJTPOOKQ-ROUUACIJSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000502244760 1069599013 /nfs/dbraw/zinc/59/90/13/1069599013.db2.gz AGKAROMJTPOOKQ-ZWKOTPCHSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000502250018 1069602531 /nfs/dbraw/zinc/60/25/31/1069602531.db2.gz IGKWULWPAYEZJS-ATLSCFEFSA-N 1 0 402.495 -0.028 20 0 HBADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000502250020 1069602557 /nfs/dbraw/zinc/60/25/57/1069602557.db2.gz IGKWULWPAYEZJS-BFYDXBDKSA-N 1 0 402.495 -0.028 20 0 HBADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000502250022 1069602479 /nfs/dbraw/zinc/60/24/79/1069602479.db2.gz IGKWULWPAYEZJS-CIRFHOKZSA-N 1 0 402.495 -0.028 20 0 HBADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000502250024 1069602602 /nfs/dbraw/zinc/60/26/02/1069602602.db2.gz IGKWULWPAYEZJS-INMHGKMJSA-N 1 0 402.495 -0.028 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502290867 1069607514 /nfs/dbraw/zinc/60/75/14/1069607514.db2.gz NZUHYJBNBLBSES-ARFHVFGLSA-N 1 0 405.499 -0.979 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502290868 1069607461 /nfs/dbraw/zinc/60/74/61/1069607461.db2.gz NZUHYJBNBLBSES-BZUAXINKSA-N 1 0 405.499 -0.979 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502290869 1069608122 /nfs/dbraw/zinc/60/81/22/1069608122.db2.gz NZUHYJBNBLBSES-HRCADAONSA-N 1 0 405.499 -0.979 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502290870 1069608135 /nfs/dbraw/zinc/60/81/35/1069608135.db2.gz NZUHYJBNBLBSES-OWCLPIDISA-N 1 0 405.499 -0.979 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)ccn1 ZINC000502298994 1069606815 /nfs/dbraw/zinc/60/68/15/1069606815.db2.gz WHZPSBFUGZCQID-CVEARBPZSA-N 1 0 403.483 -0.092 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)ccn1 ZINC000502298995 1069606887 /nfs/dbraw/zinc/60/68/87/1069606887.db2.gz WHZPSBFUGZCQID-HOTGVXAUSA-N 1 0 403.483 -0.092 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)ccn1 ZINC000502298996 1069606897 /nfs/dbraw/zinc/60/68/97/1069606897.db2.gz WHZPSBFUGZCQID-HZPDHXFCSA-N 1 0 403.483 -0.092 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)ccn1 ZINC000502298997 1069606859 /nfs/dbraw/zinc/60/68/59/1069606859.db2.gz WHZPSBFUGZCQID-JKSUJKDBSA-N 1 0 403.483 -0.092 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000502301531 1069606868 /nfs/dbraw/zinc/60/68/68/1069606868.db2.gz JBESWHNBKSAVMX-BDXSIMOUSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000502301532 1069606851 /nfs/dbraw/zinc/60/68/51/1069606851.db2.gz JBESWHNBKSAVMX-BRSBDYLESA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000502301533 1069606879 /nfs/dbraw/zinc/60/68/79/1069606879.db2.gz JBESWHNBKSAVMX-TVFCKZIOSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000502301534 1069606885 /nfs/dbraw/zinc/60/68/85/1069606885.db2.gz JBESWHNBKSAVMX-ZJPYXAASSA-N 1 0 405.543 -0.260 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C(=O)NCC[NH+](C)C ZINC000502316954 1069607952 /nfs/dbraw/zinc/60/79/52/1069607952.db2.gz XFCNXBCHUCFIGX-YESZJQIVSA-N 1 0 412.531 -0.399 20 0 HBADRO O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000502323799 1069608685 /nfs/dbraw/zinc/60/86/85/1069608685.db2.gz HRFBTVZKBIKXBF-GOSISDBHSA-N 1 0 414.572 -0.144 20 0 HBADRO O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000502323800 1069608793 /nfs/dbraw/zinc/60/87/93/1069608793.db2.gz HRFBTVZKBIKXBF-SFHVURJKSA-N 1 0 414.572 -0.144 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000502339237 1068866902 /nfs/dbraw/zinc/86/69/02/1068866902.db2.gz GICAWPMEXPNZDX-BRSBDYLESA-N 1 0 405.561 -0.417 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000502339246 1068866720 /nfs/dbraw/zinc/86/67/20/1068866720.db2.gz GICAWPMEXPNZDX-TVFCKZIOSA-N 1 0 405.561 -0.417 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000502339565 1068866604 /nfs/dbraw/zinc/86/66/04/1068866604.db2.gz GICAWPMEXPNZDX-XDNAFOTISA-N 1 0 405.561 -0.417 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000502339566 1068866780 /nfs/dbraw/zinc/86/67/80/1068866780.db2.gz GICAWPMEXPNZDX-XMTFNYHQSA-N 1 0 405.561 -0.417 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502374313 1069611068 /nfs/dbraw/zinc/61/10/68/1069611068.db2.gz ALCHCLRUYAPQGN-CVEARBPZSA-N 1 0 409.574 -0.216 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502374314 1069611052 /nfs/dbraw/zinc/61/10/52/1069611052.db2.gz ALCHCLRUYAPQGN-HOTGVXAUSA-N 1 0 409.574 -0.216 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502374315 1069610842 /nfs/dbraw/zinc/61/08/42/1069610842.db2.gz ALCHCLRUYAPQGN-HZPDHXFCSA-N 1 0 409.574 -0.216 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502374316 1069610779 /nfs/dbraw/zinc/61/07/79/1069610779.db2.gz ALCHCLRUYAPQGN-JKSUJKDBSA-N 1 0 409.574 -0.216 20 0 HBADRO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC000502376142 1069611582 /nfs/dbraw/zinc/61/15/82/1069611582.db2.gz FPZARAKWUICPNT-AWEZNQCLSA-N 1 0 402.517 -0.167 20 0 HBADRO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC000502376143 1069611417 /nfs/dbraw/zinc/61/14/17/1069611417.db2.gz FPZARAKWUICPNT-CQSZACIVSA-N 1 0 402.517 -0.167 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)[C@H]2C1 ZINC000502517851 1069617138 /nfs/dbraw/zinc/61/71/38/1069617138.db2.gz OCVMYYRIRLVMBL-LSDHHAIUSA-N 1 0 424.479 -0.437 20 0 HBADRO Cn1c2ncn(CC[NH+]3CCC(S(=O)(=O)N4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000502522289 1069615516 /nfs/dbraw/zinc/61/55/16/1069615516.db2.gz MEOWDNHRCQHOGR-UHFFFAOYSA-N 1 0 424.527 -0.676 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@H]2C1 ZINC000502528261 1069616449 /nfs/dbraw/zinc/61/64/49/1069616449.db2.gz IGJLLKCLIPRQID-LSDHHAIUSA-N 1 0 404.533 -0.858 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000502531420 1069616403 /nfs/dbraw/zinc/61/64/03/1069616403.db2.gz VJBVDWMAXPOMIR-UHFFFAOYSA-N 1 0 414.514 -0.011 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@H]2C1 ZINC000502560279 1069619144 /nfs/dbraw/zinc/61/91/44/1069619144.db2.gz KASCIAQRDKJAGZ-KHYOSLBOSA-N 1 0 408.499 -0.076 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@H]2C1 ZINC000502560280 1069619066 /nfs/dbraw/zinc/61/90/66/1069619066.db2.gz KASCIAQRDKJAGZ-QMTMVMCOSA-N 1 0 408.499 -0.076 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502561809 1069619095 /nfs/dbraw/zinc/61/90/95/1069619095.db2.gz DWTGSSQCANURTJ-KRWDZBQOSA-N 1 0 402.517 -0.277 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502561810 1069619106 /nfs/dbraw/zinc/61/91/06/1069619106.db2.gz DWTGSSQCANURTJ-QGZVFWFLSA-N 1 0 402.517 -0.277 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000502582403 1069620580 /nfs/dbraw/zinc/62/05/80/1069620580.db2.gz TXJQLUQUWOUNTE-CYBMUJFWSA-N 1 0 401.489 -0.578 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000502582408 1069620607 /nfs/dbraw/zinc/62/06/07/1069620607.db2.gz TXJQLUQUWOUNTE-ZDUSSCGKSA-N 1 0 401.489 -0.578 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)[C@H]2C1 ZINC000502583364 1069620596 /nfs/dbraw/zinc/62/05/96/1069620596.db2.gz AOEHKYPMWNWQAG-LSDHHAIUSA-N 1 0 401.467 -0.124 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)[C@H]2C1 ZINC000502589681 1069619842 /nfs/dbraw/zinc/61/98/42/1069619842.db2.gz UTXZFHHKJPOBPH-DLBZAZTESA-N 1 0 412.512 -0.029 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000502594600 1069620586 /nfs/dbraw/zinc/62/05/86/1069620586.db2.gz IREAQFWMLBQFFR-HNNXBMFYSA-N 1 0 409.574 -0.231 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000502594601 1069620600 /nfs/dbraw/zinc/62/06/00/1069620600.db2.gz IREAQFWMLBQFFR-OAHLLOKOSA-N 1 0 409.574 -0.231 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000502616447 1069621821 /nfs/dbraw/zinc/62/18/21/1069621821.db2.gz VFMIKWZWFZCOIV-GOSISDBHSA-N 1 0 414.528 -0.181 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000502616454 1069621846 /nfs/dbraw/zinc/62/18/46/1069621846.db2.gz VFMIKWZWFZCOIV-SFHVURJKSA-N 1 0 414.528 -0.181 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(S(=O)(=O)NCCOC)c[nH]3)[C@H]2C1 ZINC000502647112 1069621853 /nfs/dbraw/zinc/62/18/53/1069621853.db2.gz JOTNVOWFMYUVFR-JKSUJKDBSA-N 1 0 400.501 -0.125 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000502656933 1069621804 /nfs/dbraw/zinc/62/18/04/1069621804.db2.gz XERJBVKTZVMOST-UONOGXRCSA-N 1 0 404.471 -0.855 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000502662340 1069621921 /nfs/dbraw/zinc/62/19/21/1069621921.db2.gz UMWWBIIADVBOBA-LSDHHAIUSA-N 1 0 401.467 -0.124 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000502672823 1069621892 /nfs/dbraw/zinc/62/18/92/1069621892.db2.gz VJSCZSNBXQVHJP-INIZCTEOSA-N 1 0 420.557 -0.119 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000502672826 1069621881 /nfs/dbraw/zinc/62/18/81/1069621881.db2.gz VJSCZSNBXQVHJP-MRXNPFEDSA-N 1 0 420.557 -0.119 20 0 HBADRO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000502711617 1069627427 /nfs/dbraw/zinc/62/74/27/1069627427.db2.gz IVDJGKZYIYQRBZ-GJZGRUSLSA-N 1 0 405.455 -0.406 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000502727770 1069629314 /nfs/dbraw/zinc/62/93/14/1069629314.db2.gz KFPXHBSXXFBMRH-GASCZTMLSA-N 1 0 413.544 -0.737 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000502727771 1069629223 /nfs/dbraw/zinc/62/92/23/1069629223.db2.gz KFPXHBSXXFBMRH-GJZGRUSLSA-N 1 0 413.544 -0.737 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000502727772 1069629177 /nfs/dbraw/zinc/62/91/77/1069629177.db2.gz KFPXHBSXXFBMRH-HUUCEWRRSA-N 1 0 413.544 -0.737 20 0 HBADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000502733047 1069632357 /nfs/dbraw/zinc/63/23/57/1069632357.db2.gz QUDMKDGIRHQMQX-HNNXBMFYSA-N 1 0 416.588 -0.152 20 0 HBADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000502733048 1069632378 /nfs/dbraw/zinc/63/23/78/1069632378.db2.gz QUDMKDGIRHQMQX-OAHLLOKOSA-N 1 0 416.588 -0.152 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000502736766 1069627461 /nfs/dbraw/zinc/62/74/61/1069627461.db2.gz NPRUBXUPFSOFFY-RRQGHBQHSA-N 1 0 424.523 -0.226 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000502736767 1069627389 /nfs/dbraw/zinc/62/73/89/1069627389.db2.gz NPRUBXUPFSOFFY-XOKHGSTOSA-N 1 0 424.523 -0.226 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000502829596 1069636684 /nfs/dbraw/zinc/63/66/84/1069636684.db2.gz ZPXMXNCREXJCHX-UHFFFAOYSA-N 1 0 422.574 -0.120 20 0 HBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CCn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000502863541 1069637485 /nfs/dbraw/zinc/63/74/85/1069637485.db2.gz UFEFMPPXANNKPV-UHFFFAOYSA-N 1 0 420.539 -0.016 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000502888033 1069638424 /nfs/dbraw/zinc/63/84/24/1069638424.db2.gz PNIMORGEQKLIAY-PBHICJAKSA-N 1 0 401.533 -0.144 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000502888034 1069638404 /nfs/dbraw/zinc/63/84/04/1069638404.db2.gz PNIMORGEQKLIAY-RHSMWYFYSA-N 1 0 401.533 -0.144 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000502888035 1069638318 /nfs/dbraw/zinc/63/83/18/1069638318.db2.gz PNIMORGEQKLIAY-WMLDXEAASA-N 1 0 401.533 -0.144 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000502888036 1069638391 /nfs/dbraw/zinc/63/83/91/1069638391.db2.gz PNIMORGEQKLIAY-YOEHRIQHSA-N 1 0 401.533 -0.144 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502893076 1069638262 /nfs/dbraw/zinc/63/82/62/1069638262.db2.gz OKVMPYIGPVROKN-KRWDZBQOSA-N 1 0 400.501 -0.306 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502893077 1069638416 /nfs/dbraw/zinc/63/84/16/1069638416.db2.gz OKVMPYIGPVROKN-QGZVFWFLSA-N 1 0 400.501 -0.306 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000502894236 1069638429 /nfs/dbraw/zinc/63/84/29/1069638429.db2.gz UFMWNAAFNLOUOD-GOSISDBHSA-N 1 0 415.512 -0.242 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000502894237 1069638902 /nfs/dbraw/zinc/63/89/02/1069638902.db2.gz UFMWNAAFNLOUOD-SFHVURJKSA-N 1 0 415.512 -0.242 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000502901128 1069640294 /nfs/dbraw/zinc/64/02/94/1069640294.db2.gz CNCNCWDRSSLSTE-GASCZTMLSA-N 1 0 406.531 -0.661 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000502901129 1069640217 /nfs/dbraw/zinc/64/02/17/1069640217.db2.gz CNCNCWDRSSLSTE-GJZGRUSLSA-N 1 0 406.531 -0.661 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000502901130 1069640240 /nfs/dbraw/zinc/64/02/40/1069640240.db2.gz CNCNCWDRSSLSTE-HUUCEWRRSA-N 1 0 406.531 -0.661 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502901744 1069640357 /nfs/dbraw/zinc/64/03/57/1069640357.db2.gz CHQNOZQHYDUOAQ-SJCJKPOMSA-N 1 0 400.501 -0.259 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502901745 1069640257 /nfs/dbraw/zinc/64/02/57/1069640257.db2.gz CHQNOZQHYDUOAQ-YVEFUNNKSA-N 1 0 400.501 -0.259 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000502903509 1069640265 /nfs/dbraw/zinc/64/02/65/1069640265.db2.gz OIPBQCVAEZQPJN-JXFKEZNVSA-N 1 0 403.483 -0.035 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000502903510 1069640269 /nfs/dbraw/zinc/64/02/69/1069640269.db2.gz OIPBQCVAEZQPJN-OXJNMPFZSA-N 1 0 403.483 -0.035 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000502903511 1069640350 /nfs/dbraw/zinc/64/03/50/1069640350.db2.gz OIPBQCVAEZQPJN-OXQOHEQNSA-N 1 0 403.483 -0.035 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000502903512 1069640284 /nfs/dbraw/zinc/64/02/84/1069640284.db2.gz OIPBQCVAEZQPJN-UZLBHIALSA-N 1 0 403.483 -0.035 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000502909230 1069639709 /nfs/dbraw/zinc/63/97/09/1069639709.db2.gz MTXUITDJGUAKRX-GOSISDBHSA-N 1 0 415.512 -0.055 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000502909231 1069639666 /nfs/dbraw/zinc/63/96/66/1069639666.db2.gz MTXUITDJGUAKRX-SFHVURJKSA-N 1 0 415.512 -0.055 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000502913132 1069639770 /nfs/dbraw/zinc/63/97/70/1069639770.db2.gz PRFPKMJSWXKCPR-BZUAXINKSA-N 1 0 420.558 -0.272 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000502913133 1069640245 /nfs/dbraw/zinc/64/02/45/1069640245.db2.gz PRFPKMJSWXKCPR-HRCADAONSA-N 1 0 420.558 -0.272 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000502913134 1069640234 /nfs/dbraw/zinc/64/02/34/1069640234.db2.gz PRFPKMJSWXKCPR-OWCLPIDISA-N 1 0 420.558 -0.272 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000502913135 1069640301 /nfs/dbraw/zinc/64/03/01/1069640301.db2.gz PRFPKMJSWXKCPR-XHSDSOJGSA-N 1 0 420.558 -0.272 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000502924912 1069641599 /nfs/dbraw/zinc/64/15/99/1069641599.db2.gz KFVZUAZIRGSSNL-KBPBESRZSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000502924916 1069641767 /nfs/dbraw/zinc/64/17/67/1069641767.db2.gz KFVZUAZIRGSSNL-KGLIPLIRSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000502924917 1069641806 /nfs/dbraw/zinc/64/18/06/1069641806.db2.gz KFVZUAZIRGSSNL-UONOGXRCSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000502924919 1069641778 /nfs/dbraw/zinc/64/17/78/1069641778.db2.gz KFVZUAZIRGSSNL-ZIAGYGMSSA-N 1 0 414.528 -0.018 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000502931653 1069641138 /nfs/dbraw/zinc/64/11/38/1069641138.db2.gz RRLLBHABRCEVRA-KRWDZBQOSA-N 1 0 401.485 -0.445 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000502931654 1069641072 /nfs/dbraw/zinc/64/10/72/1069641072.db2.gz RRLLBHABRCEVRA-QGZVFWFLSA-N 1 0 401.485 -0.445 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502935739 1069641088 /nfs/dbraw/zinc/64/10/88/1069641088.db2.gz NLDYAEDUFOGAFU-KRWDZBQOSA-N 1 0 400.501 -0.258 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502935740 1069641153 /nfs/dbraw/zinc/64/11/53/1069641153.db2.gz NLDYAEDUFOGAFU-QGZVFWFLSA-N 1 0 400.501 -0.258 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1OC ZINC000502939300 1069642465 /nfs/dbraw/zinc/64/24/65/1069642465.db2.gz LJNJFCVISGMGDE-KRWDZBQOSA-N 1 0 403.501 -0.199 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000502939301 1069642506 /nfs/dbraw/zinc/64/25/06/1069642506.db2.gz LJNJFCVISGMGDE-QGZVFWFLSA-N 1 0 403.501 -0.199 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000502940524 1069642511 /nfs/dbraw/zinc/64/25/11/1069642511.db2.gz QNBFKTYRRYYJPL-SCLBCKFNSA-N 1 0 415.512 -0.057 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000502940525 1069642441 /nfs/dbraw/zinc/64/24/41/1069642441.db2.gz QNBFKTYRRYYJPL-UGSOOPFHSA-N 1 0 415.512 -0.057 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000502943971 1069641691 /nfs/dbraw/zinc/64/16/91/1069641691.db2.gz MGBBDYHIZOGYOQ-KRWDZBQOSA-N 1 0 402.517 -0.692 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000502943972 1069641741 /nfs/dbraw/zinc/64/17/41/1069641741.db2.gz MGBBDYHIZOGYOQ-QGZVFWFLSA-N 1 0 402.517 -0.692 20 0 HBADRO COc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000502956005 1069642887 /nfs/dbraw/zinc/64/28/87/1069642887.db2.gz IFMZXXWIMXMRTB-GOSISDBHSA-N 1 0 415.512 -0.242 20 0 HBADRO COc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000502956006 1069642963 /nfs/dbraw/zinc/64/29/63/1069642963.db2.gz IFMZXXWIMXMRTB-SFHVURJKSA-N 1 0 415.512 -0.242 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000502968723 1069644390 /nfs/dbraw/zinc/64/43/90/1069644390.db2.gz IRHVMVFJOWIGAQ-KRWDZBQOSA-N 1 0 400.501 -0.905 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000502968730 1069644379 /nfs/dbraw/zinc/64/43/79/1069644379.db2.gz IRHVMVFJOWIGAQ-QGZVFWFLSA-N 1 0 400.501 -0.905 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)cc1 ZINC000502972844 1069643095 /nfs/dbraw/zinc/64/30/95/1069643095.db2.gz XPDNDHPYYYIZHX-IBGZPJMESA-N 1 0 412.556 -0.270 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)cc1 ZINC000502972846 1069642924 /nfs/dbraw/zinc/64/29/24/1069642924.db2.gz XPDNDHPYYYIZHX-LJQANCHMSA-N 1 0 412.556 -0.270 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000502975576 1069644304 /nfs/dbraw/zinc/64/43/04/1069644304.db2.gz GOTSYIOVTLLXTE-CYBMUJFWSA-N 1 0 412.874 -0.210 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000502975577 1069644427 /nfs/dbraw/zinc/64/44/27/1069644427.db2.gz GOTSYIOVTLLXTE-ZDUSSCGKSA-N 1 0 412.874 -0.210 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000503053081 1069646412 /nfs/dbraw/zinc/64/64/12/1069646412.db2.gz TWUVBRZEMDFILN-INIZCTEOSA-N 1 0 423.539 -0.099 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000503053082 1069646291 /nfs/dbraw/zinc/64/62/91/1069646291.db2.gz TWUVBRZEMDFILN-MRXNPFEDSA-N 1 0 423.539 -0.099 20 0 HBADRO Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000503065533 1068881218 /nfs/dbraw/zinc/88/12/18/1068881218.db2.gz WKIBCFURGWERGN-UHFFFAOYSA-N 1 0 406.531 -0.484 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)cc1OC ZINC000503075518 1069647205 /nfs/dbraw/zinc/64/72/05/1069647205.db2.gz QHQCBXUSUGESBC-AWEZNQCLSA-N 1 0 415.512 -0.151 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1OC ZINC000503075522 1069647353 /nfs/dbraw/zinc/64/73/53/1069647353.db2.gz QHQCBXUSUGESBC-CQSZACIVSA-N 1 0 415.512 -0.151 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)c1 ZINC000503076607 1069647342 /nfs/dbraw/zinc/64/73/42/1069647342.db2.gz PWLWNGZSRVNUOO-AWEZNQCLSA-N 1 0 415.512 -0.151 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)c1 ZINC000503076612 1069647281 /nfs/dbraw/zinc/64/72/81/1069647281.db2.gz PWLWNGZSRVNUOO-CQSZACIVSA-N 1 0 415.512 -0.151 20 0 HBADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1ccnc1 ZINC000503078525 1068881266 /nfs/dbraw/zinc/88/12/66/1068881266.db2.gz ZDPDVDVRBDSWML-MOPGFXCFSA-N 1 0 418.542 -0.231 20 0 HBADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1ccnc1 ZINC000503078526 1068881043 /nfs/dbraw/zinc/88/10/43/1068881043.db2.gz ZDPDVDVRBDSWML-OALUTQOASA-N 1 0 418.542 -0.231 20 0 HBADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1ccnc1 ZINC000503078527 1068880778 /nfs/dbraw/zinc/88/07/78/1068880778.db2.gz ZDPDVDVRBDSWML-RBUKOAKNSA-N 1 0 418.542 -0.231 20 0 HBADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1ccnc1 ZINC000503078528 1068881125 /nfs/dbraw/zinc/88/11/25/1068881125.db2.gz ZDPDVDVRBDSWML-RTBURBONSA-N 1 0 418.542 -0.231 20 0 HBADRO COCCN(C(=O)C[N@H+](C)[C@@H](C)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000503086639 1069648040 /nfs/dbraw/zinc/64/80/40/1069648040.db2.gz KPHGZNVXEDFXLC-AWEZNQCLSA-N 1 0 419.482 -0.129 20 0 HBADRO COCCN(C(=O)C[N@H+](C)[C@H](C)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000503086644 1069648026 /nfs/dbraw/zinc/64/80/26/1069648026.db2.gz KPHGZNVXEDFXLC-CQSZACIVSA-N 1 0 419.482 -0.129 20 0 HBADRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000503118187 1069649184 /nfs/dbraw/zinc/64/91/84/1069649184.db2.gz JFWJLFQPNJIWQE-AWEZNQCLSA-N 1 0 413.496 -0.397 20 0 HBADRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000503118192 1069649258 /nfs/dbraw/zinc/64/92/58/1069649258.db2.gz JFWJLFQPNJIWQE-CQSZACIVSA-N 1 0 413.496 -0.397 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(C(=O)CO)CC3)CC2)cc1 ZINC000503167360 1069651295 /nfs/dbraw/zinc/65/12/95/1069651295.db2.gz QNVXSPBBEODMDS-UHFFFAOYSA-N 1 0 404.511 -0.134 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000503169149 1069651339 /nfs/dbraw/zinc/65/13/39/1069651339.db2.gz LUYHEMCKNHQXRH-UHFFFAOYSA-N 1 0 401.471 -0.070 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503185168 1069651896 /nfs/dbraw/zinc/65/18/96/1069651896.db2.gz OXNOGUDCPBEMOA-UHFFFAOYSA-N 1 0 403.549 -0.392 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000503185171 1069651945 /nfs/dbraw/zinc/65/19/45/1069651945.db2.gz OXRNCUQKCMHTAX-HNNXBMFYSA-N 1 0 401.533 -0.640 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000503185172 1069652009 /nfs/dbraw/zinc/65/20/09/1069652009.db2.gz OXRNCUQKCMHTAX-OAHLLOKOSA-N 1 0 401.533 -0.640 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCNC(=O)c1ccn[nH]1 ZINC000503188041 1069652451 /nfs/dbraw/zinc/65/24/51/1069652451.db2.gz FVNLMNSMLUKUEL-UHFFFAOYSA-N 1 0 415.502 -0.169 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000503191433 1069657412 /nfs/dbraw/zinc/65/74/12/1069657412.db2.gz IFDPNJUSUGCCBQ-UHFFFAOYSA-N 1 0 419.530 -0.279 20 0 HBADRO CCN(CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000503198275 1069657425 /nfs/dbraw/zinc/65/74/25/1069657425.db2.gz AWHLVFNFYLZGOG-UHFFFAOYSA-N 1 0 403.549 -0.392 20 0 HBADRO CS(=O)(=O)N1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503206407 1069658780 /nfs/dbraw/zinc/65/87/80/1069658780.db2.gz FYSLDFTXNODTFI-UHFFFAOYSA-N 1 0 401.533 -0.640 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000503209248 1069658752 /nfs/dbraw/zinc/65/87/52/1069658752.db2.gz VQYSUELQCKROGF-UHFFFAOYSA-N 1 0 403.531 -0.157 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503211206 1071249980 /nfs/dbraw/zinc/24/99/80/1071249980.db2.gz GDQQBFJRSAJWOM-UHFFFAOYSA-N 1 0 422.574 -0.073 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000503216518 1069658058 /nfs/dbraw/zinc/65/80/58/1069658058.db2.gz CKUVZOCRLNDTRD-UHFFFAOYSA-N 1 0 410.486 -0.060 20 0 HBADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000503217465 1069410489 /nfs/dbraw/zinc/41/04/89/1069410489.db2.gz OTLSZDCRLDMPDN-OXQOHEQNSA-N 1 0 410.515 -0.880 20 0 HBADRO CN(C)C(=O)C1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000503218734 1069659358 /nfs/dbraw/zinc/65/93/58/1069659358.db2.gz KVQNJPWHTVEZRM-UHFFFAOYSA-N 1 0 414.514 -0.188 20 0 HBADRO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000503237173 1069659283 /nfs/dbraw/zinc/65/92/83/1069659283.db2.gz QANMJLLDURHLBA-INIZCTEOSA-N 1 0 414.514 -0.140 20 0 HBADRO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000503237174 1069659259 /nfs/dbraw/zinc/65/92/59/1069659259.db2.gz QANMJLLDURHLBA-MRXNPFEDSA-N 1 0 414.514 -0.140 20 0 HBADRO C[N@@H+]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000503241941 1069660937 /nfs/dbraw/zinc/66/09/37/1069660937.db2.gz KLSXTFOWZCVFHW-UHFFFAOYSA-N 1 0 410.544 -0.120 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000503243826 1069661033 /nfs/dbraw/zinc/66/10/33/1069661033.db2.gz OJPMKKWKRBGOPA-UHFFFAOYSA-N 1 0 417.576 -0.051 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)CC1 ZINC000503257067 1069661635 /nfs/dbraw/zinc/66/16/35/1069661635.db2.gz QZAFBKOSLXKCPC-UHFFFAOYSA-N 1 0 416.482 -0.569 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c(C)c2)CC1 ZINC000503257197 1069661609 /nfs/dbraw/zinc/66/16/09/1069661609.db2.gz VJYTUQRKXUEEIW-UHFFFAOYSA-N 1 0 416.482 -0.257 20 0 HBADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000503257916 1069661684 /nfs/dbraw/zinc/66/16/84/1069661684.db2.gz XINJBGWLQJIFEL-UHFFFAOYSA-N 1 0 405.480 -0.158 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000503270304 1069662485 /nfs/dbraw/zinc/66/24/85/1069662485.db2.gz RZDBTBSHZYLTIA-HNNXBMFYSA-N 1 0 422.617 -0.036 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000503270312 1069662446 /nfs/dbraw/zinc/66/24/46/1069662446.db2.gz RZDBTBSHZYLTIA-OAHLLOKOSA-N 1 0 422.617 -0.036 20 0 HBADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000503295563 1069666403 /nfs/dbraw/zinc/66/64/03/1069666403.db2.gz KOHKZFJVHQOMHZ-UHFFFAOYSA-N 1 0 419.507 -0.116 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000503296855 1069666305 /nfs/dbraw/zinc/66/63/05/1069666305.db2.gz TZDWTHYDRYIMAV-AWEZNQCLSA-N 1 0 416.482 -0.049 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000503296856 1069666354 /nfs/dbraw/zinc/66/63/54/1069666354.db2.gz TZDWTHYDRYIMAV-CQSZACIVSA-N 1 0 416.482 -0.049 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)CC1 ZINC000503308749 1069665590 /nfs/dbraw/zinc/66/55/90/1069665590.db2.gz FMRUKACKOJMXBJ-UHFFFAOYSA-N 1 0 402.455 -0.960 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000503309987 1069666396 /nfs/dbraw/zinc/66/63/96/1069666396.db2.gz HXBIATVBOUXYMU-HNNXBMFYSA-N 1 0 404.467 -0.133 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000503309988 1069666364 /nfs/dbraw/zinc/66/63/64/1069666364.db2.gz HXBIATVBOUXYMU-OAHLLOKOSA-N 1 0 404.467 -0.133 20 0 HBADRO CNc1nc(NC[C@H]2CC(=O)N(C3CC3)C2)nc(NC[C@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000503314020 1069667112 /nfs/dbraw/zinc/66/71/12/1069667112.db2.gz OCLQKPIXALBQQZ-CHWSQXEVSA-N 1 0 414.514 -0.975 20 0 HBADRO CNc1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc(NC[C@@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000503314022 1069666947 /nfs/dbraw/zinc/66/69/47/1069666947.db2.gz OCLQKPIXALBQQZ-STQMWFEESA-N 1 0 414.514 -0.975 20 0 HBADRO NS(=O)(=O)c1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503393522 1069668982 /nfs/dbraw/zinc/66/89/82/1069668982.db2.gz RMWQVYNBKCWKDS-UHFFFAOYSA-N 1 0 409.512 -0.216 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000503393819 1069669275 /nfs/dbraw/zinc/66/92/75/1069669275.db2.gz YUKSYNSWCFFIRX-UHFFFAOYSA-N 1 0 415.541 -0.155 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000503401599 1069669711 /nfs/dbraw/zinc/66/97/11/1069669711.db2.gz GFZSFGVSHKVQOG-UHFFFAOYSA-N 1 0 423.539 -0.086 20 0 HBADRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000503402936 1070209902 /nfs/dbraw/zinc/20/99/02/1070209902.db2.gz BRLBWDMQDMBWGY-GOSISDBHSA-N 1 0 408.543 -0.072 20 0 HBADRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000503402937 1070210178 /nfs/dbraw/zinc/21/01/78/1070210178.db2.gz BRLBWDMQDMBWGY-SFHVURJKSA-N 1 0 408.543 -0.072 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000503406793 1069669792 /nfs/dbraw/zinc/66/97/92/1069669792.db2.gz CVNSQRYWENJLRX-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000503408434 1069670644 /nfs/dbraw/zinc/67/06/44/1069670644.db2.gz HUAKJYXXHZMXDP-IBGZPJMESA-N 1 0 421.494 -0.172 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000503408435 1069670512 /nfs/dbraw/zinc/67/05/12/1069670512.db2.gz HUAKJYXXHZMXDP-LJQANCHMSA-N 1 0 421.494 -0.172 20 0 HBADRO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)[N@H+](C)C1 ZINC000503424221 1069671146 /nfs/dbraw/zinc/67/11/46/1069671146.db2.gz BSISGZIVXXEXAM-HOTGVXAUSA-N 1 0 418.450 -0.308 20 0 HBADRO Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000503428435 1069670636 /nfs/dbraw/zinc/67/06/36/1069670636.db2.gz SRKURKHMNMIJSJ-UHFFFAOYSA-N 1 0 408.484 -0.231 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cncc(NS(C)(=O)=O)c2)cn1 ZINC000503431076 1069670473 /nfs/dbraw/zinc/67/04/73/1069670473.db2.gz YXJOAFAHIWZFBO-UHFFFAOYSA-N 1 0 409.472 -0.420 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000503435857 1069671332 /nfs/dbraw/zinc/67/13/32/1069671332.db2.gz IKFAFHFBLNAVFD-UHFFFAOYSA-N 1 0 413.540 -0.009 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000503438741 1069671184 /nfs/dbraw/zinc/67/11/84/1069671184.db2.gz SWERULNYUQIMCC-UHFFFAOYSA-N 1 0 418.516 -0.545 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000503439900 1069671318 /nfs/dbraw/zinc/67/13/18/1069671318.db2.gz SSKKCJUEIPDSJT-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000503441808 1069671857 /nfs/dbraw/zinc/67/18/57/1069671857.db2.gz YQMOAOOFVROYGU-UHFFFAOYSA-N 1 0 417.503 -0.011 20 0 HBADRO CC[NH+](CC)CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503444965 1069671924 /nfs/dbraw/zinc/67/19/24/1069671924.db2.gz AEFRRMZHXMBPRU-HNNXBMFYSA-N 1 0 424.589 -0.741 20 0 HBADRO CC[NH+](CC)CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503444966 1069671994 /nfs/dbraw/zinc/67/19/94/1069671994.db2.gz AEFRRMZHXMBPRU-OAHLLOKOSA-N 1 0 424.589 -0.741 20 0 HBADRO CCN1CCN(CC(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)C(=O)C1=O ZINC000503450893 1069671172 /nfs/dbraw/zinc/67/11/72/1069671172.db2.gz JHLIEAZDTKBQMC-HNNXBMFYSA-N 1 0 416.544 -0.965 20 0 HBADRO CCN1CCN(CC(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)C(=O)C1=O ZINC000503450895 1069671305 /nfs/dbraw/zinc/67/13/05/1069671305.db2.gz JHLIEAZDTKBQMC-OAHLLOKOSA-N 1 0 416.544 -0.965 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)CC2)CC1 ZINC000503452290 1069671130 /nfs/dbraw/zinc/67/11/30/1069671130.db2.gz MUQWIQCVPVEDRQ-UHFFFAOYSA-N 1 0 412.560 -0.285 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000503456259 1069671282 /nfs/dbraw/zinc/67/12/82/1069671282.db2.gz VPESKBWMWBTOTC-GFCCVEGCSA-N 1 0 407.514 -0.102 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CCS(=O)(=O)C1 ZINC000503456260 1069672034 /nfs/dbraw/zinc/67/20/34/1069672034.db2.gz VPESKBWMWBTOTC-LBPRGKRZSA-N 1 0 407.514 -0.102 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000503461149 1069672041 /nfs/dbraw/zinc/67/20/41/1069672041.db2.gz MEXWWYZAQLMYFY-AWEZNQCLSA-N 1 0 418.541 -0.300 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000503461154 1069672076 /nfs/dbraw/zinc/67/20/76/1069672076.db2.gz MEXWWYZAQLMYFY-CQSZACIVSA-N 1 0 418.541 -0.300 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000503467832 1069672650 /nfs/dbraw/zinc/67/26/50/1069672650.db2.gz XSHWDVKFHJSSTF-CYBMUJFWSA-N 1 0 402.517 -0.326 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000503467833 1069672752 /nfs/dbraw/zinc/67/27/52/1069672752.db2.gz XSHWDVKFHJSSTF-ZDUSSCGKSA-N 1 0 402.517 -0.326 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000503470685 1069673233 /nfs/dbraw/zinc/67/32/33/1069673233.db2.gz BFBAIQQSIFRIAK-AWEZNQCLSA-N 1 0 407.500 -0.128 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000503470686 1069673126 /nfs/dbraw/zinc/67/31/26/1069673126.db2.gz BFBAIQQSIFRIAK-CQSZACIVSA-N 1 0 407.500 -0.128 20 0 HBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503473135 1069673058 /nfs/dbraw/zinc/67/30/58/1069673058.db2.gz VRQWQPCUERQPLK-CVEARBPZSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503473136 1069673205 /nfs/dbraw/zinc/67/32/05/1069673205.db2.gz VRQWQPCUERQPLK-HOTGVXAUSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503473137 1069673379 /nfs/dbraw/zinc/67/33/79/1069673379.db2.gz VRQWQPCUERQPLK-HZPDHXFCSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503473138 1069673150 /nfs/dbraw/zinc/67/31/50/1069673150.db2.gz VRQWQPCUERQPLK-JKSUJKDBSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000503496770 1069674605 /nfs/dbraw/zinc/67/46/05/1069674605.db2.gz CAUGGWULPXQBJJ-INIZCTEOSA-N 1 0 414.576 -0.087 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN(C)Cc1nnc(C)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503496779 1069674662 /nfs/dbraw/zinc/67/46/62/1069674662.db2.gz CAUGGWULPXQBJJ-MRXNPFEDSA-N 1 0 414.576 -0.087 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503496837 1069674569 /nfs/dbraw/zinc/67/45/69/1069674569.db2.gz CFPNEZKNUVXMMQ-CYBMUJFWSA-N 1 0 402.517 -0.326 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000503496838 1069674732 /nfs/dbraw/zinc/67/47/32/1069674732.db2.gz CFPNEZKNUVXMMQ-ZDUSSCGKSA-N 1 0 402.517 -0.326 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503504535 1071255652 /nfs/dbraw/zinc/25/56/52/1071255652.db2.gz RVANCPKDJWECLY-UHFFFAOYSA-N 1 0 409.512 -0.216 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000503589889 1069678424 /nfs/dbraw/zinc/67/84/24/1069678424.db2.gz DULWZVSERFKWGO-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000503594951 1069679293 /nfs/dbraw/zinc/67/92/93/1069679293.db2.gz CKHNUSDREIFCLS-UHFFFAOYSA-N 1 0 423.495 -0.810 20 0 HBADRO COCCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000503596919 1069679305 /nfs/dbraw/zinc/67/93/05/1069679305.db2.gz UQYLGIGNURSFNU-UHFFFAOYSA-N 1 0 419.482 -0.188 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000503597316 1069679177 /nfs/dbraw/zinc/67/91/77/1069679177.db2.gz WZDYWUPBXYISIX-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503600303 1069679735 /nfs/dbraw/zinc/67/97/35/1069679735.db2.gz ANNJQNHEKUOXRK-UHFFFAOYSA-N 1 0 422.507 -0.205 20 0 HBADRO CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503601364 1069680553 /nfs/dbraw/zinc/68/05/53/1069680553.db2.gz MILJQZGYZYKXJY-UHFFFAOYSA-N 1 0 422.507 -0.205 20 0 HBADRO CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503601703 1069680491 /nfs/dbraw/zinc/68/04/91/1069680491.db2.gz ONNFGVGEOHXDTN-UHFFFAOYSA-N 1 0 422.507 -0.205 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000503602087 1069680592 /nfs/dbraw/zinc/68/05/92/1069680592.db2.gz QTFHBUXGLDXUIX-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000503603326 1069680540 /nfs/dbraw/zinc/68/05/40/1069680540.db2.gz ZVWDIOORMKFPKA-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO NC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503611204 1069679849 /nfs/dbraw/zinc/67/98/49/1069679849.db2.gz QWXWWZKBUYTGLP-UHFFFAOYSA-N 1 0 401.467 -0.581 20 0 HBADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503612756 1069679921 /nfs/dbraw/zinc/67/99/21/1069679921.db2.gz SZCPXPGSDODSCR-UHFFFAOYSA-N 1 0 417.466 -0.744 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000503623538 1069680564 /nfs/dbraw/zinc/68/05/64/1069680564.db2.gz DJMNNNRFGVJQKA-UHFFFAOYSA-N 1 0 415.450 -0.277 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000503623604 1069680576 /nfs/dbraw/zinc/68/05/76/1069680576.db2.gz FFZADCIKVYKKRA-KRWDZBQOSA-N 1 0 404.467 -0.227 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000503623605 1069680467 /nfs/dbraw/zinc/68/04/67/1069680467.db2.gz FFZADCIKVYKKRA-QGZVFWFLSA-N 1 0 404.467 -0.227 20 0 HBADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503625852 1069681300 /nfs/dbraw/zinc/68/13/00/1069681300.db2.gz FABJIPKRQYDNDK-UHFFFAOYSA-N 1 0 417.466 -0.744 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000503626483 1069681180 /nfs/dbraw/zinc/68/11/80/1069681180.db2.gz QCTJLXPHKHEDNX-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2oc1=O ZINC000503627020 1069681971 /nfs/dbraw/zinc/68/19/71/1069681971.db2.gz IVQOSWDKDXOOGX-UHFFFAOYSA-N 1 0 415.450 -0.163 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000503627261 1069681216 /nfs/dbraw/zinc/68/12/16/1069681216.db2.gz LKSZHDRAVGLSBG-HNNXBMFYSA-N 1 0 420.422 -0.505 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000503627262 1069681278 /nfs/dbraw/zinc/68/12/78/1069681278.db2.gz LKSZHDRAVGLSBG-OAHLLOKOSA-N 1 0 420.422 -0.505 20 0 HBADRO NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F ZINC000503628692 1069682017 /nfs/dbraw/zinc/68/20/17/1069682017.db2.gz ZKIGQLKMXFJQPB-UHFFFAOYSA-N 1 0 405.430 -0.370 20 0 HBADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503629679 1071256957 /nfs/dbraw/zinc/25/69/57/1071256957.db2.gz QPNHXWIDQMZVLT-UHFFFAOYSA-N 1 0 419.482 -0.188 20 0 HBADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503640814 1069682572 /nfs/dbraw/zinc/68/25/72/1069682572.db2.gz CYUVXHKITNSYQG-UHFFFAOYSA-N 1 0 405.430 -0.370 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000503640865 1069682622 /nfs/dbraw/zinc/68/26/22/1069682622.db2.gz AUDSOJDRBYOUQA-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000503641188 1069682619 /nfs/dbraw/zinc/68/26/19/1069682619.db2.gz CONDTVBTGWKIAA-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503642519 1069682614 /nfs/dbraw/zinc/68/26/14/1069682614.db2.gz LIEITZQBGZENKS-UHFFFAOYSA-N 1 0 401.467 -0.201 20 0 HBADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503644482 1069682564 /nfs/dbraw/zinc/68/25/64/1069682564.db2.gz RIRMIJOVDKLFPS-UHFFFAOYSA-N 1 0 401.467 -0.249 20 0 HBADRO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503644644 1069683341 /nfs/dbraw/zinc/68/33/41/1069683341.db2.gz RWZTVESVWPGYLN-UHFFFAOYSA-N 1 0 401.467 -0.249 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000503654866 1071257054 /nfs/dbraw/zinc/25/70/54/1071257054.db2.gz JRYUWZAQQQJFAU-HOTGVXAUSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000503654868 1069685210 /nfs/dbraw/zinc/68/52/10/1069685210.db2.gz JRYUWZAQQQJFAU-HZPDHXFCSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000503654870 1069685307 /nfs/dbraw/zinc/68/53/07/1069685307.db2.gz JRYUWZAQQQJFAU-IYBDPMFKSA-N 1 0 412.560 -0.285 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000503657688 1069684574 /nfs/dbraw/zinc/68/45/74/1069684574.db2.gz GUTHFRVNJCYANY-UHFFFAOYSA-N 1 0 422.511 -0.694 20 0 HBADRO CCC(CC)[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)[NH+]1CCOCC1 ZINC000503657793 1069683819 /nfs/dbraw/zinc/68/38/19/1069683819.db2.gz GEFAJBOSQUHCGQ-HNNXBMFYSA-N 1 0 401.533 -0.048 20 0 HBADRO CCC(CC)[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)[NH+]1CCOCC1 ZINC000503657794 1069683837 /nfs/dbraw/zinc/68/38/37/1069683837.db2.gz GEFAJBOSQUHCGQ-OAHLLOKOSA-N 1 0 401.533 -0.048 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000503658387 1069683866 /nfs/dbraw/zinc/68/38/66/1069683866.db2.gz IKHBYMROMYEWDY-HOTGVXAUSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000503658388 1069683880 /nfs/dbraw/zinc/68/38/80/1069683880.db2.gz IKHBYMROMYEWDY-HZPDHXFCSA-N 1 0 412.560 -0.285 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000503658389 1069683812 /nfs/dbraw/zinc/68/38/12/1069683812.db2.gz IKHBYMROMYEWDY-IYBDPMFKSA-N 1 0 412.560 -0.285 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000503658432 1069683891 /nfs/dbraw/zinc/68/38/91/1069683891.db2.gz KEWYKZPBTIDSLP-UHFFFAOYSA-N 1 0 422.467 -0.193 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000503658550 1069683854 /nfs/dbraw/zinc/68/38/54/1069683854.db2.gz IQNZDPCMWLIJFD-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000503658840 1069684460 /nfs/dbraw/zinc/68/44/60/1069684460.db2.gz JUONZDTWWDZGPZ-UHFFFAOYSA-N 1 0 420.539 -0.238 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cn(C)cn3)cn2)CC1 ZINC000503659427 1069684614 /nfs/dbraw/zinc/68/46/14/1069684614.db2.gz PJMNNYGYLKYOSL-UHFFFAOYSA-N 1 0 421.527 -0.448 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000503660144 1069684534 /nfs/dbraw/zinc/68/45/34/1069684534.db2.gz QTTGJZNJJNADCX-UHFFFAOYSA-N 1 0 420.539 -0.368 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000503660460 1069684546 /nfs/dbraw/zinc/68/45/46/1069684546.db2.gz SWKNSJWVVZVOFA-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CCCS1(=O)=O ZINC000503660740 1069685255 /nfs/dbraw/zinc/68/52/55/1069685255.db2.gz WZIOWRLWBHSVSV-INIZCTEOSA-N 1 0 402.561 -0.037 20 0 HBADRO CC(C)[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CCCS1(=O)=O ZINC000503660741 1069685322 /nfs/dbraw/zinc/68/53/22/1069685322.db2.gz WZIOWRLWBHSVSV-MRXNPFEDSA-N 1 0 402.561 -0.037 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCCS1(=O)=O ZINC000503670882 1069685812 /nfs/dbraw/zinc/68/58/12/1069685812.db2.gz JFDZCCOLXNFPPH-KRWDZBQOSA-N 1 0 400.545 -0.187 20 0 HBADRO CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCCS1(=O)=O ZINC000503670883 1069686006 /nfs/dbraw/zinc/68/60/06/1069686006.db2.gz JFDZCCOLXNFPPH-QGZVFWFLSA-N 1 0 400.545 -0.187 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000503672246 1069685963 /nfs/dbraw/zinc/68/59/63/1069685963.db2.gz FKMJGVQKEOBLFX-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)no2)cn1 ZINC000503673265 1069685933 /nfs/dbraw/zinc/68/59/33/1069685933.db2.gz UKGWIHGQHBJPAS-DZGCQCFKSA-N 1 0 417.470 -0.220 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)no2)cn1 ZINC000503673266 1069685908 /nfs/dbraw/zinc/68/59/08/1069685908.db2.gz UKGWIHGQHBJPAS-HIFRSBDPSA-N 1 0 417.470 -0.220 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)no2)cn1 ZINC000503673267 1069685977 /nfs/dbraw/zinc/68/59/77/1069685977.db2.gz UKGWIHGQHBJPAS-UKRRQHHQSA-N 1 0 417.470 -0.220 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)no2)cn1 ZINC000503673268 1069685919 /nfs/dbraw/zinc/68/59/19/1069685919.db2.gz UKGWIHGQHBJPAS-ZFWWWQNUSA-N 1 0 417.470 -0.220 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CCCS1(=O)=O ZINC000503673504 1069685851 /nfs/dbraw/zinc/68/58/51/1069685851.db2.gz MIWWFOUZFSGJSJ-CVEARBPZSA-N 1 0 400.545 -0.189 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CCCS1(=O)=O ZINC000503673509 1069685870 /nfs/dbraw/zinc/68/58/70/1069685870.db2.gz MIWWFOUZFSGJSJ-HOTGVXAUSA-N 1 0 400.545 -0.189 20 0 HBADRO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CCCS1(=O)=O ZINC000503673510 1069685892 /nfs/dbraw/zinc/68/58/92/1069685892.db2.gz MIWWFOUZFSGJSJ-HZPDHXFCSA-N 1 0 400.545 -0.189 20 0 HBADRO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CCCS1(=O)=O ZINC000503673512 1069686022 /nfs/dbraw/zinc/68/60/22/1069686022.db2.gz MIWWFOUZFSGJSJ-JKSUJKDBSA-N 1 0 400.545 -0.189 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000503675319 1069686844 /nfs/dbraw/zinc/68/68/44/1069686844.db2.gz NDECYHIMQUVONQ-UHFFFAOYSA-N 1 0 409.512 -0.002 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000503681151 1069687433 /nfs/dbraw/zinc/68/74/33/1069687433.db2.gz ANQVLZWIUKGHJW-CABCVRRESA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000503681152 1069687313 /nfs/dbraw/zinc/68/73/13/1069687313.db2.gz ANQVLZWIUKGHJW-GJZGRUSLSA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000503681153 1069687554 /nfs/dbraw/zinc/68/75/54/1069687554.db2.gz ANQVLZWIUKGHJW-HUUCEWRRSA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000503681154 1069687475 /nfs/dbraw/zinc/68/74/75/1069687475.db2.gz ANQVLZWIUKGHJW-LSDHHAIUSA-N 1 0 401.533 -0.048 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000503683062 1069687572 /nfs/dbraw/zinc/68/75/72/1069687572.db2.gz JYUDRIFKOXASQK-UHFFFAOYSA-N 1 0 412.560 -0.235 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000503687870 1069688202 /nfs/dbraw/zinc/68/82/02/1069688202.db2.gz FRXWPMOMDGWPMQ-UHFFFAOYSA-N 1 0 410.519 -0.192 20 0 HBADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000503705912 1069690259 /nfs/dbraw/zinc/69/02/59/1069690259.db2.gz UBODZNALXSBSPH-UHFFFAOYSA-N 1 0 408.503 -0.438 20 0 HBADRO C[NH+]1CCC(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000503713219 1069691069 /nfs/dbraw/zinc/69/10/69/1069691069.db2.gz MQLOCGPCPHJPBE-UHFFFAOYSA-N 1 0 403.549 -0.378 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000503728148 1069691603 /nfs/dbraw/zinc/69/16/03/1069691603.db2.gz PDUZCNVMXBJUAE-UHFFFAOYSA-N 1 0 402.499 -0.003 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000503733473 1069691625 /nfs/dbraw/zinc/69/16/25/1069691625.db2.gz ITFBWIOTUWSVJT-UHFFFAOYSA-N 1 0 410.519 -0.336 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000503735062 1069691554 /nfs/dbraw/zinc/69/15/54/1069691554.db2.gz KTEKDMQHOFYADB-UHFFFAOYSA-N 1 0 414.528 -0.403 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000503736785 1069691734 /nfs/dbraw/zinc/69/17/34/1069691734.db2.gz UPEVMQJVDZFNRZ-UHFFFAOYSA-N 1 0 416.592 -0.462 20 0 HBADRO O=S(=O)(N1CCC(CCC[NH+]2CCOCC2)CC1)N1CCS(=O)(=O)CC1 ZINC000503877855 1069696001 /nfs/dbraw/zinc/69/60/01/1069696001.db2.gz WPODQVKEGUSTAO-UHFFFAOYSA-N 1 0 409.574 -0.214 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)c1 ZINC000504004648 1069700073 /nfs/dbraw/zinc/70/00/73/1069700073.db2.gz IHPMJNIUHWFMDP-UHFFFAOYSA-N 1 0 401.467 -0.345 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)o1 ZINC000504020510 1069701656 /nfs/dbraw/zinc/70/16/56/1069701656.db2.gz RRTKYIZSKFETRR-UHFFFAOYSA-N 1 0 402.455 -0.074 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1C ZINC000504027172 1069700647 /nfs/dbraw/zinc/70/06/47/1069700647.db2.gz VDCMCKZZWVHKCM-UHFFFAOYSA-N 1 0 415.454 -0.372 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)CC1 ZINC000504027656 1069700832 /nfs/dbraw/zinc/70/08/32/1069700832.db2.gz XYQVGWCPBQZRJG-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 ZINC000504028601 1069700760 /nfs/dbraw/zinc/70/07/60/1069700760.db2.gz ZMHUAJLPAUOLRD-UHFFFAOYSA-N 1 0 402.455 -0.074 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)CC1 ZINC000504034163 1069702348 /nfs/dbraw/zinc/70/23/48/1069702348.db2.gz WBZVXKOCQKBJGR-UHFFFAOYSA-N 1 0 411.528 -0.050 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)CC1 ZINC000504038106 1069701522 /nfs/dbraw/zinc/70/15/22/1069701522.db2.gz WXCKKGPJVBHWED-UHFFFAOYSA-N 1 0 416.482 -0.177 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000504038415 1069701567 /nfs/dbraw/zinc/70/15/67/1069701567.db2.gz SCYHLLIGMLEBKU-AWEZNQCLSA-N 1 0 403.483 -0.051 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000504038416 1069701650 /nfs/dbraw/zinc/70/16/50/1069701650.db2.gz SCYHLLIGMLEBKU-CQSZACIVSA-N 1 0 403.483 -0.051 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000504049932 1069702158 /nfs/dbraw/zinc/70/21/58/1069702158.db2.gz DKPNMWYDNXHJFG-INIZCTEOSA-N 1 0 419.482 -0.672 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000504049933 1069702251 /nfs/dbraw/zinc/70/22/51/1069702251.db2.gz DKPNMWYDNXHJFG-MRXNPFEDSA-N 1 0 419.482 -0.672 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000504055466 1069702895 /nfs/dbraw/zinc/70/28/95/1069702895.db2.gz QCQHILVOBJGCTB-UHFFFAOYSA-N 1 0 403.483 -0.099 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N[C@H]3COC[C@H]3n3ccnn3)cn2)CC1 ZINC000504071901 1069703754 /nfs/dbraw/zinc/70/37/54/1069703754.db2.gz NUMWQYPERBJBMN-JKSUJKDBSA-N 1 0 415.454 -0.159 20 0 HBADRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000504130980 1069705577 /nfs/dbraw/zinc/70/55/77/1069705577.db2.gz OAGWGVVVCYNVGL-UHFFFAOYSA-N 1 0 415.512 -0.038 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000504205334 1069706285 /nfs/dbraw/zinc/70/62/85/1069706285.db2.gz RGUOQCRNBAGRBX-UHFFFAOYSA-N 1 0 417.510 -0.039 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504309993 1069711318 /nfs/dbraw/zinc/71/13/18/1069711318.db2.gz MXOVWMZAHYARGY-DLBZAZTESA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504309994 1069711348 /nfs/dbraw/zinc/71/13/48/1069711348.db2.gz MXOVWMZAHYARGY-IAGOWNOFSA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504309995 1069711043 /nfs/dbraw/zinc/71/10/43/1069711043.db2.gz MXOVWMZAHYARGY-IRXDYDNUSA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504309996 1069711181 /nfs/dbraw/zinc/71/11/81/1069711181.db2.gz MXOVWMZAHYARGY-SJORKVTESA-N 1 0 414.576 -0.567 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504339680 1069712087 /nfs/dbraw/zinc/71/20/87/1069712087.db2.gz WCFGUFUGJCKWDS-CVEARBPZSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504339681 1069711942 /nfs/dbraw/zinc/71/19/42/1069711942.db2.gz WCFGUFUGJCKWDS-HOTGVXAUSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504339682 1069711852 /nfs/dbraw/zinc/71/18/52/1069711852.db2.gz WCFGUFUGJCKWDS-HZPDHXFCSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504339683 1069711987 /nfs/dbraw/zinc/71/19/87/1069711987.db2.gz WCFGUFUGJCKWDS-JKSUJKDBSA-N 1 0 401.533 -0.483 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000504351683 1069713292 /nfs/dbraw/zinc/71/32/92/1069713292.db2.gz MMQFPACTVGANIL-UHFFFAOYSA-N 1 0 407.606 -0.310 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000504370523 1069715344 /nfs/dbraw/zinc/71/53/44/1069715344.db2.gz MCCWZQJUCRGBCF-INIZCTEOSA-N 1 0 419.617 -0.214 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000504370524 1069715302 /nfs/dbraw/zinc/71/53/02/1069715302.db2.gz MCCWZQJUCRGBCF-MRXNPFEDSA-N 1 0 419.617 -0.214 20 0 HBADRO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCN(C)CC1 ZINC000504383592 1069714715 /nfs/dbraw/zinc/71/47/15/1069714715.db2.gz ANNHUANMBOVUBH-INIZCTEOSA-N 1 0 421.633 -0.064 20 0 HBADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCN(C)CC1 ZINC000504383593 1069714523 /nfs/dbraw/zinc/71/45/23/1069714523.db2.gz ANNHUANMBOVUBH-MRXNPFEDSA-N 1 0 421.633 -0.064 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000504392423 1069715787 /nfs/dbraw/zinc/71/57/87/1069715787.db2.gz VMSQNSHBUCJGIO-INIZCTEOSA-N 1 0 401.467 -0.204 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000504392424 1069715880 /nfs/dbraw/zinc/71/58/80/1069715880.db2.gz VMSQNSHBUCJGIO-MRXNPFEDSA-N 1 0 401.467 -0.204 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)ccc2oc1=O ZINC000504399620 1069716065 /nfs/dbraw/zinc/71/60/65/1069716065.db2.gz RMGIRHKCRXTXON-UHFFFAOYSA-N 1 0 415.450 -0.072 20 0 HBADRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000504400994 1071282946 /nfs/dbraw/zinc/28/29/46/1071282946.db2.gz IPTBQCRFIBPLCK-CHWSQXEVSA-N 1 0 417.553 -0.064 20 0 HBADRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000504400995 1071283220 /nfs/dbraw/zinc/28/32/20/1071283220.db2.gz IPTBQCRFIBPLCK-OLZOCXBDSA-N 1 0 417.553 -0.064 20 0 HBADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1(S(C)(=O)=O)CC1 ZINC000504400996 1071283167 /nfs/dbraw/zinc/28/31/67/1071283167.db2.gz IPTBQCRFIBPLCK-QWHCGFSZSA-N 1 0 417.553 -0.064 20 0 HBADRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000504400997 1071282857 /nfs/dbraw/zinc/28/28/57/1071282857.db2.gz IPTBQCRFIBPLCK-STQMWFEESA-N 1 0 417.553 -0.064 20 0 HBADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504413067 1069717129 /nfs/dbraw/zinc/71/71/29/1069717129.db2.gz GDMCKRLIPPNOBH-HNNXBMFYSA-N 1 0 401.533 -0.625 20 0 HBADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000504413068 1069717921 /nfs/dbraw/zinc/71/79/21/1069717921.db2.gz GDMCKRLIPPNOBH-OAHLLOKOSA-N 1 0 401.533 -0.625 20 0 HBADRO Cn1ccc2c(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cccc2c1=O ZINC000504421233 1069717997 /nfs/dbraw/zinc/71/79/97/1069717997.db2.gz FLTBLNJFMQNRKJ-UHFFFAOYSA-N 1 0 404.467 -0.124 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000504438808 1069717742 /nfs/dbraw/zinc/71/77/42/1069717742.db2.gz PKOINTLQGQMCFS-KRWDZBQOSA-N 1 0 403.483 -0.132 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000504438809 1069718270 /nfs/dbraw/zinc/71/82/70/1069718270.db2.gz PKOINTLQGQMCFS-QGZVFWFLSA-N 1 0 403.483 -0.132 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000504455215 1069718914 /nfs/dbraw/zinc/71/89/14/1069718914.db2.gz DIQLRNFWHBDRMD-INIZCTEOSA-N 1 0 414.576 -0.710 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000504455216 1069718855 /nfs/dbraw/zinc/71/88/55/1069718855.db2.gz DIQLRNFWHBDRMD-MRXNPFEDSA-N 1 0 414.576 -0.710 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(N)=O)n3)cn2)CC1 ZINC000504492742 1069719716 /nfs/dbraw/zinc/71/97/16/1069719716.db2.gz JYSCPQVZQIVGGP-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1C(=O)N1CCOCC1 ZINC000504511871 1069721940 /nfs/dbraw/zinc/72/19/40/1069721940.db2.gz IUNOWZFKSFJOHF-FQEVSTJZSA-N 1 0 406.483 -0.165 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1C(=O)N1CCOCC1 ZINC000504511872 1069721879 /nfs/dbraw/zinc/72/18/79/1069721879.db2.gz IUNOWZFKSFJOHF-HXUWFJFHSA-N 1 0 406.483 -0.165 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504512800 1069721006 /nfs/dbraw/zinc/72/10/06/1069721006.db2.gz OZIKJOLXKGRLOE-INIZCTEOSA-N 1 0 404.464 -0.557 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504512801 1069721144 /nfs/dbraw/zinc/72/11/44/1069721144.db2.gz OZIKJOLXKGRLOE-MRXNPFEDSA-N 1 0 404.464 -0.557 20 0 HBADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504513177 1069721692 /nfs/dbraw/zinc/72/16/92/1069721692.db2.gz RJSFLCIIUSFJLW-FQEVSTJZSA-N 1 0 405.499 -0.559 20 0 HBADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504513178 1069721950 /nfs/dbraw/zinc/72/19/50/1069721950.db2.gz RJSFLCIIUSFJLW-HXUWFJFHSA-N 1 0 405.499 -0.559 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000504515073 1069721064 /nfs/dbraw/zinc/72/10/64/1069721064.db2.gz YZYFBQACCQYFJE-GOSISDBHSA-N 1 0 412.512 -0.197 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000504515076 1069721189 /nfs/dbraw/zinc/72/11/89/1069721189.db2.gz YZYFBQACCQYFJE-SFHVURJKSA-N 1 0 412.512 -0.197 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000504525081 1069722330 /nfs/dbraw/zinc/72/23/30/1069722330.db2.gz IMKVMLLMZYAYRM-FQEVSTJZSA-N 1 0 421.498 -0.675 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000504525082 1069722268 /nfs/dbraw/zinc/72/22/68/1069722268.db2.gz IMKVMLLMZYAYRM-HXUWFJFHSA-N 1 0 421.498 -0.675 20 0 HBADRO Cn1c(=O)ccn(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1=O ZINC000504526062 1069722309 /nfs/dbraw/zinc/72/23/09/1069722309.db2.gz PFOOHLWSMXFATI-UHFFFAOYSA-N 1 0 413.478 -0.311 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000504526895 1069722252 /nfs/dbraw/zinc/72/22/52/1069722252.db2.gz UQLYNXGSPUSAHG-KRWDZBQOSA-N 1 0 400.501 -0.387 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000504526896 1069722279 /nfs/dbraw/zinc/72/22/79/1069722279.db2.gz UQLYNXGSPUSAHG-QGZVFWFLSA-N 1 0 400.501 -0.387 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1Cl ZINC000504531130 1069722937 /nfs/dbraw/zinc/72/29/37/1069722937.db2.gz BRAIILOXHWOYEU-INIZCTEOSA-N 1 0 420.919 -0.042 20 0 HBADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1Cl ZINC000504531131 1069723075 /nfs/dbraw/zinc/72/30/75/1069723075.db2.gz BRAIILOXHWOYEU-MRXNPFEDSA-N 1 0 420.919 -0.042 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000504539397 1069724202 /nfs/dbraw/zinc/72/42/02/1069724202.db2.gz DDMMAKUFYDQSSJ-GOSISDBHSA-N 1 0 412.512 -0.162 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000504539398 1069724126 /nfs/dbraw/zinc/72/41/26/1069724126.db2.gz DDMMAKUFYDQSSJ-SFHVURJKSA-N 1 0 412.512 -0.162 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000504548360 1069724745 /nfs/dbraw/zinc/72/47/45/1069724745.db2.gz QLTDKBCWNBCQKY-DOTOQJQBSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000504548361 1069724564 /nfs/dbraw/zinc/72/45/64/1069724564.db2.gz QLTDKBCWNBCQKY-NVXWUHKLSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000504548362 1069724646 /nfs/dbraw/zinc/72/46/46/1069724646.db2.gz QLTDKBCWNBCQKY-RDJZCZTQSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000504548363 1069724790 /nfs/dbraw/zinc/72/47/90/1069724790.db2.gz QLTDKBCWNBCQKY-WBVHZDCISA-N 1 0 402.499 -0.168 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCCO1 ZINC000504549634 1069724719 /nfs/dbraw/zinc/72/47/19/1069724719.db2.gz WHYFCRSQOGHAEP-GDBMZVCRSA-N 1 0 406.487 -0.741 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCCO1 ZINC000504549635 1069724597 /nfs/dbraw/zinc/72/45/97/1069724597.db2.gz WHYFCRSQOGHAEP-GOEBONIOSA-N 1 0 406.487 -0.741 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCCO1 ZINC000504549636 1069725355 /nfs/dbraw/zinc/72/53/55/1069725355.db2.gz WHYFCRSQOGHAEP-HOCLYGCPSA-N 1 0 406.487 -0.741 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCCO1 ZINC000504549637 1069725220 /nfs/dbraw/zinc/72/52/20/1069725220.db2.gz WHYFCRSQOGHAEP-ZBFHGGJFSA-N 1 0 406.487 -0.741 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504550039 1069724689 /nfs/dbraw/zinc/72/46/89/1069724689.db2.gz XVTXSCPQNQNPHA-KRWDZBQOSA-N 1 0 402.499 -0.024 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504550040 1069724800 /nfs/dbraw/zinc/72/48/00/1069724800.db2.gz XVTXSCPQNQNPHA-QGZVFWFLSA-N 1 0 402.499 -0.024 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000504554394 1069725343 /nfs/dbraw/zinc/72/53/43/1069725343.db2.gz LDHCETYKYACSKX-KRWDZBQOSA-N 1 0 416.475 -0.366 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000504554395 1069725082 /nfs/dbraw/zinc/72/50/82/1069725082.db2.gz LDHCETYKYACSKX-QGZVFWFLSA-N 1 0 416.475 -0.366 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cn1 ZINC000504556705 1069724074 /nfs/dbraw/zinc/72/40/74/1069724074.db2.gz VQWQXWUICDEVOM-DOTOQJQBSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2=O)cn1 ZINC000504556706 1069724139 /nfs/dbraw/zinc/72/41/39/1069724139.db2.gz VQWQXWUICDEVOM-RDJZCZTQSA-N 1 0 418.498 -0.788 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000504557455 1069722998 /nfs/dbraw/zinc/72/29/98/1069722998.db2.gz ZKUJCGKMHOLOLU-FMKPAKJESA-N 1 0 406.487 -0.743 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000504557456 1069723652 /nfs/dbraw/zinc/72/36/52/1069723652.db2.gz ZKUJCGKMHOLOLU-IIAWOOMASA-N 1 0 406.487 -0.743 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000504557457 1069723559 /nfs/dbraw/zinc/72/35/59/1069723559.db2.gz ZKUJCGKMHOLOLU-IJEWVQPXSA-N 1 0 406.487 -0.743 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000504557458 1069723610 /nfs/dbraw/zinc/72/36/10/1069723610.db2.gz ZKUJCGKMHOLOLU-LZWOXQAQSA-N 1 0 406.487 -0.743 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000504557484 1069723596 /nfs/dbraw/zinc/72/35/96/1069723596.db2.gz ZNBVGZBFMLAANE-DOTOQJQBSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000504557485 1069723508 /nfs/dbraw/zinc/72/35/08/1069723508.db2.gz ZNBVGZBFMLAANE-NVXWUHKLSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000504557486 1069723543 /nfs/dbraw/zinc/72/35/43/1069723543.db2.gz ZNBVGZBFMLAANE-RDJZCZTQSA-N 1 0 402.499 -0.168 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000504557487 1069723672 /nfs/dbraw/zinc/72/36/72/1069723672.db2.gz ZNBVGZBFMLAANE-WBVHZDCISA-N 1 0 402.499 -0.168 20 0 HBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504559469 1069724062 /nfs/dbraw/zinc/72/40/62/1069724062.db2.gz ADJJHNIVEXRZCL-KRWDZBQOSA-N 1 0 400.501 -0.258 20 0 HBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504559470 1069724101 /nfs/dbraw/zinc/72/41/01/1069724101.db2.gz ADJJHNIVEXRZCL-QGZVFWFLSA-N 1 0 400.501 -0.258 20 0 HBADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504561397 1069725902 /nfs/dbraw/zinc/72/59/02/1069725902.db2.gz RDQJLDCRHMYCHP-FQEVSTJZSA-N 1 0 406.483 -0.165 20 0 HBADRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504561398 1069725840 /nfs/dbraw/zinc/72/58/40/1069725840.db2.gz RDQJLDCRHMYCHP-HXUWFJFHSA-N 1 0 406.483 -0.165 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000504567261 1069727042 /nfs/dbraw/zinc/72/70/42/1069727042.db2.gz AOPFEIVTBHZBID-FQEVSTJZSA-N 1 0 406.483 -0.545 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000504567262 1069727150 /nfs/dbraw/zinc/72/71/50/1069727150.db2.gz AOPFEIVTBHZBID-HXUWFJFHSA-N 1 0 406.483 -0.545 20 0 HBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000504567749 1069727226 /nfs/dbraw/zinc/72/72/26/1069727226.db2.gz HPXWEMQOJXYAOC-JXFKEZNVSA-N 1 0 406.483 -0.264 20 0 HBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000504567750 1069727239 /nfs/dbraw/zinc/72/72/39/1069727239.db2.gz HPXWEMQOJXYAOC-OXJNMPFZSA-N 1 0 406.483 -0.264 20 0 HBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000504567751 1069726947 /nfs/dbraw/zinc/72/69/47/1069726947.db2.gz HPXWEMQOJXYAOC-OXQOHEQNSA-N 1 0 406.483 -0.264 20 0 HBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000504567752 1069727086 /nfs/dbraw/zinc/72/70/86/1069727086.db2.gz HPXWEMQOJXYAOC-UZLBHIALSA-N 1 0 406.483 -0.264 20 0 HBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504568666 1069727101 /nfs/dbraw/zinc/72/71/01/1069727101.db2.gz SGWOGVNRJDZWRJ-NRFANRHFSA-N 1 0 419.526 -0.630 20 0 HBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504568667 1069727273 /nfs/dbraw/zinc/72/72/73/1069727273.db2.gz SGWOGVNRJDZWRJ-OAQYLSRUSA-N 1 0 419.526 -0.630 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000504570838 1069729083 /nfs/dbraw/zinc/72/90/83/1069729083.db2.gz OOBNLBLLCRKJBH-KRWDZBQOSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000504570839 1069728927 /nfs/dbraw/zinc/72/89/27/1069728927.db2.gz OOBNLBLLCRKJBH-QGZVFWFLSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2=O)cn1 ZINC000504571169 1069728349 /nfs/dbraw/zinc/72/83/49/1069728349.db2.gz RROUMIOBIQTEQN-CVEARBPZSA-N 1 0 406.487 -0.789 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000504571170 1071290523 /nfs/dbraw/zinc/29/05/23/1071290523.db2.gz RROUMIOBIQTEQN-HOTGVXAUSA-N 1 0 406.487 -0.789 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2=O)cn1 ZINC000504571171 1071290418 /nfs/dbraw/zinc/29/04/18/1071290418.db2.gz RROUMIOBIQTEQN-HZPDHXFCSA-N 1 0 406.487 -0.789 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000504571172 1069728502 /nfs/dbraw/zinc/72/85/02/1069728502.db2.gz RROUMIOBIQTEQN-JKSUJKDBSA-N 1 0 406.487 -0.789 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504572007 1069729033 /nfs/dbraw/zinc/72/90/33/1069729033.db2.gz ZIPXMSLNOARWDT-KRWDZBQOSA-N 1 0 420.514 -0.353 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504572008 1069728969 /nfs/dbraw/zinc/72/89/69/1069728969.db2.gz ZIPXMSLNOARWDT-QGZVFWFLSA-N 1 0 420.514 -0.353 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504575382 1069729818 /nfs/dbraw/zinc/72/98/18/1069729818.db2.gz MXVOYLLAIBVEGU-GOSISDBHSA-N 1 0 412.512 -0.163 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504575383 1069729626 /nfs/dbraw/zinc/72/96/26/1069729626.db2.gz MXVOYLLAIBVEGU-SFHVURJKSA-N 1 0 412.512 -0.163 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504575837 1069729837 /nfs/dbraw/zinc/72/98/37/1069729837.db2.gz SHDBBEAYNAIPMO-KRWDZBQOSA-N 1 0 416.500 -0.687 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504575838 1069729470 /nfs/dbraw/zinc/72/94/70/1069729470.db2.gz SHDBBEAYNAIPMO-QGZVFWFLSA-N 1 0 416.500 -0.687 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)C2=O)cn1 ZINC000504576405 1069729597 /nfs/dbraw/zinc/72/95/97/1069729597.db2.gz AGPVCGAQZCLBFC-GOSISDBHSA-N 1 0 424.505 -0.143 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)C2=O)cn1 ZINC000504576406 1069729496 /nfs/dbraw/zinc/72/94/96/1069729496.db2.gz AGPVCGAQZCLBFC-SFHVURJKSA-N 1 0 424.505 -0.143 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577195 1069729892 /nfs/dbraw/zinc/72/98/92/1069729892.db2.gz HNFWDOMVOLLUMX-KRWDZBQOSA-N 1 0 419.530 -0.874 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577196 1069729706 /nfs/dbraw/zinc/72/97/06/1069729706.db2.gz HNFWDOMVOLLUMX-QGZVFWFLSA-N 1 0 419.530 -0.874 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)cn1 ZINC000504577367 1069729576 /nfs/dbraw/zinc/72/95/76/1069729576.db2.gz JKDNTSRVXUUMGR-INIZCTEOSA-N 1 0 406.487 -0.789 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)cn1 ZINC000504577368 1069729691 /nfs/dbraw/zinc/72/96/91/1069729691.db2.gz JKDNTSRVXUUMGR-MRXNPFEDSA-N 1 0 406.487 -0.789 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504577492 1069729449 /nfs/dbraw/zinc/72/94/49/1069729449.db2.gz KTBLTOIMENBIPO-DLBZAZTESA-N 1 0 420.514 -0.399 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504577493 1069729703 /nfs/dbraw/zinc/72/97/03/1069729703.db2.gz KTBLTOIMENBIPO-IAGOWNOFSA-N 1 0 420.514 -0.399 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504577494 1069729673 /nfs/dbraw/zinc/72/96/73/1069729673.db2.gz KTBLTOIMENBIPO-IRXDYDNUSA-N 1 0 420.514 -0.399 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504577495 1069729563 /nfs/dbraw/zinc/72/95/63/1069729563.db2.gz KTBLTOIMENBIPO-SJORKVTESA-N 1 0 420.514 -0.399 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(OCCC[NH+](C)C)CC3)C2=O)cn1 ZINC000504579228 1069730362 /nfs/dbraw/zinc/73/03/62/1069730362.db2.gz WDYKVBXVKCIYGA-KRWDZBQOSA-N 1 0 420.514 -0.399 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(OCCC[NH+](C)C)CC3)C2=O)cn1 ZINC000504579229 1069730450 /nfs/dbraw/zinc/73/04/50/1069730450.db2.gz WDYKVBXVKCIYGA-QGZVFWFLSA-N 1 0 420.514 -0.399 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000504582306 1069731952 /nfs/dbraw/zinc/73/19/52/1069731952.db2.gz KZVQQRQVDRGGIQ-FQEVSTJZSA-N 1 0 422.482 -0.709 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000504582307 1069732177 /nfs/dbraw/zinc/73/21/77/1069732177.db2.gz KZVQQRQVDRGGIQ-HXUWFJFHSA-N 1 0 422.482 -0.709 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504582694 1069731895 /nfs/dbraw/zinc/73/18/95/1069731895.db2.gz PTPMJWYPFPGZQJ-KRWDZBQOSA-N 1 0 400.501 -0.259 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504582695 1069732028 /nfs/dbraw/zinc/73/20/28/1069732028.db2.gz PTPMJWYPFPGZQJ-QGZVFWFLSA-N 1 0 400.501 -0.259 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000504582861 1069731919 /nfs/dbraw/zinc/73/19/19/1069731919.db2.gz RLPUNFMMHMUHBR-IBGZPJMESA-N 1 0 417.470 -0.084 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000504582862 1069732015 /nfs/dbraw/zinc/73/20/15/1069732015.db2.gz RLPUNFMMHMUHBR-LJQANCHMSA-N 1 0 417.470 -0.084 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1S(=O)(=O)NC1CC1 ZINC000504582875 1069731821 /nfs/dbraw/zinc/73/18/21/1069731821.db2.gz ROEAUNITWHDHNE-GOSISDBHSA-N 1 0 412.512 -0.197 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1S(=O)(=O)NC1CC1 ZINC000504582876 1069731979 /nfs/dbraw/zinc/73/19/79/1069731979.db2.gz ROEAUNITWHDHNE-SFHVURJKSA-N 1 0 412.512 -0.197 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1N1CCCS1(=O)=O ZINC000504583638 1069732533 /nfs/dbraw/zinc/73/25/33/1069732533.db2.gz YYHQATWZZJLEAB-GOSISDBHSA-N 1 0 412.512 -0.098 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1N1CCCS1(=O)=O ZINC000504583640 1069732882 /nfs/dbraw/zinc/73/28/82/1069732882.db2.gz YYHQATWZZJLEAB-SFHVURJKSA-N 1 0 412.512 -0.098 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)CCO1 ZINC000504584082 1069732599 /nfs/dbraw/zinc/73/25/99/1069732599.db2.gz GNKXYYKJTLUQIN-PBHICJAKSA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)CCO1 ZINC000504584083 1069732734 /nfs/dbraw/zinc/73/27/34/1069732734.db2.gz GNKXYYKJTLUQIN-RHSMWYFYSA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)CCO1 ZINC000504584084 1069732775 /nfs/dbraw/zinc/73/27/75/1069732775.db2.gz GNKXYYKJTLUQIN-WMLDXEAASA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)CCO1 ZINC000504584085 1069732494 /nfs/dbraw/zinc/73/24/94/1069732494.db2.gz GNKXYYKJTLUQIN-YOEHRIQHSA-N 1 0 418.498 -0.647 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccco3)C2=O)cn1 ZINC000504584973 1069732896 /nfs/dbraw/zinc/73/28/96/1069732896.db2.gz KRWVHZXESADWGR-INIZCTEOSA-N 1 0 402.455 -0.175 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccco3)C2=O)cn1 ZINC000504584974 1069732857 /nfs/dbraw/zinc/73/28/57/1069732857.db2.gz KRWVHZXESADWGR-MRXNPFEDSA-N 1 0 402.455 -0.175 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cn1 ZINC000504586654 1069733362 /nfs/dbraw/zinc/73/33/62/1069733362.db2.gz VQWQXWUICDEVOM-NVXWUHKLSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cn1 ZINC000504586655 1069733277 /nfs/dbraw/zinc/73/32/77/1069733277.db2.gz VQWQXWUICDEVOM-WBVHZDCISA-N 1 0 418.498 -0.788 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000504589685 1069733936 /nfs/dbraw/zinc/73/39/36/1069733936.db2.gz NSBUTIGKCNXOKD-GOSISDBHSA-N 1 0 412.512 -0.697 20 0 HBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000504589686 1069734108 /nfs/dbraw/zinc/73/41/08/1069734108.db2.gz NSBUTIGKCNXOKD-SFHVURJKSA-N 1 0 412.512 -0.697 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504590514 1069733882 /nfs/dbraw/zinc/73/38/82/1069733882.db2.gz DGYLAJCUUVSDHB-PBHICJAKSA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504590515 1069734276 /nfs/dbraw/zinc/73/42/76/1069734276.db2.gz DGYLAJCUUVSDHB-RHSMWYFYSA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504590516 1069734383 /nfs/dbraw/zinc/73/43/83/1069734383.db2.gz DGYLAJCUUVSDHB-WMLDXEAASA-N 1 0 418.498 -0.647 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504590517 1069734054 /nfs/dbraw/zinc/73/40/54/1069734054.db2.gz DGYLAJCUUVSDHB-YOEHRIQHSA-N 1 0 418.498 -0.647 20 0 HBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1OC ZINC000504598389 1069731284 /nfs/dbraw/zinc/73/12/84/1069731284.db2.gz OAAWNWFXOMEPGI-KRWDZBQOSA-N 1 0 416.500 -0.176 20 0 HBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000504598390 1069731208 /nfs/dbraw/zinc/73/12/08/1069731208.db2.gz OAAWNWFXOMEPGI-QGZVFWFLSA-N 1 0 416.500 -0.176 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000504599353 1069730998 /nfs/dbraw/zinc/73/09/98/1069730998.db2.gz RVBAGXMSTYCRKG-KRWDZBQOSA-N 1 0 416.475 -0.267 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000504599354 1069730958 /nfs/dbraw/zinc/73/09/58/1069730958.db2.gz RVBAGXMSTYCRKG-QGZVFWFLSA-N 1 0 416.475 -0.267 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)cn1 ZINC000504602818 1069732135 /nfs/dbraw/zinc/73/21/35/1069732135.db2.gz AQIFNISKCFEPGZ-KRWDZBQOSA-N 1 0 418.498 -0.788 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2=O)cn1 ZINC000504602819 1069731796 /nfs/dbraw/zinc/73/17/96/1069731796.db2.gz AQIFNISKCFEPGZ-QGZVFWFLSA-N 1 0 418.498 -0.788 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000504608438 1069736222 /nfs/dbraw/zinc/73/62/22/1069736222.db2.gz SQKDCNRSMNVKFH-UHFFFAOYSA-N 1 0 424.531 -0.134 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000504609348 1069736087 /nfs/dbraw/zinc/73/60/87/1069736087.db2.gz WUGBOHQHFIXYNI-GOSISDBHSA-N 1 0 412.512 -0.628 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000504609349 1069736193 /nfs/dbraw/zinc/73/61/93/1069736193.db2.gz WUGBOHQHFIXYNI-SFHVURJKSA-N 1 0 412.512 -0.628 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000504615987 1069735420 /nfs/dbraw/zinc/73/54/20/1069735420.db2.gz VTEKWQXDRRYYOY-UHFFFAOYSA-N 1 0 418.498 -0.138 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000504690059 1069738291 /nfs/dbraw/zinc/73/82/91/1069738291.db2.gz LOBRXTXZTARWEY-CVEARBPZSA-N 1 0 402.455 -0.001 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000504690060 1069738886 /nfs/dbraw/zinc/73/88/86/1069738886.db2.gz LOBRXTXZTARWEY-HOTGVXAUSA-N 1 0 402.455 -0.001 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000504690061 1069739156 /nfs/dbraw/zinc/73/91/56/1069739156.db2.gz LOBRXTXZTARWEY-HZPDHXFCSA-N 1 0 402.455 -0.001 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000504690062 1069739039 /nfs/dbraw/zinc/73/90/39/1069739039.db2.gz LOBRXTXZTARWEY-JKSUJKDBSA-N 1 0 402.455 -0.001 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)C(=O)C1=O ZINC000504780242 1069740366 /nfs/dbraw/zinc/74/03/66/1069740366.db2.gz YDGVLBXFLSRCOL-UHFFFAOYSA-N 1 0 406.483 -0.058 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504830243 1069741349 /nfs/dbraw/zinc/74/13/49/1069741349.db2.gz FNSQHGSSKZYITA-KRWDZBQOSA-N 1 0 401.485 -0.430 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504830244 1069741393 /nfs/dbraw/zinc/74/13/93/1069741393.db2.gz FNSQHGSSKZYITA-QGZVFWFLSA-N 1 0 401.485 -0.430 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)CC1 ZINC000504845052 1069743858 /nfs/dbraw/zinc/74/38/58/1069743858.db2.gz GADSNJPPMIECQV-UHFFFAOYSA-N 1 0 417.510 -0.181 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000504859258 1069742260 /nfs/dbraw/zinc/74/22/60/1069742260.db2.gz SYCNUASDOWYKSQ-KRWDZBQOSA-N 1 0 400.501 -0.787 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000504859259 1069742009 /nfs/dbraw/zinc/74/20/09/1069742009.db2.gz SYCNUASDOWYKSQ-QGZVFWFLSA-N 1 0 400.501 -0.787 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000504863498 1069745329 /nfs/dbraw/zinc/74/53/29/1069745329.db2.gz KPAUIMGFRNVLER-INIZCTEOSA-N 1 0 405.542 -0.260 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000504863499 1069745060 /nfs/dbraw/zinc/74/50/60/1069745060.db2.gz KPAUIMGFRNVLER-MRXNPFEDSA-N 1 0 405.542 -0.260 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cn2)CC1 ZINC000504865042 1069745211 /nfs/dbraw/zinc/74/52/11/1069745211.db2.gz OHJPNQGMWKCYRR-UHFFFAOYSA-N 1 0 405.455 -0.844 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c(C)c2)CC1 ZINC000504866170 1069745268 /nfs/dbraw/zinc/74/52/68/1069745268.db2.gz VWQOTXVZLPXDNY-UHFFFAOYSA-N 1 0 417.510 -0.261 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1Cl ZINC000504866213 1069745416 /nfs/dbraw/zinc/74/54/16/1069745416.db2.gz WHQMTZDWTDTYFQ-UHFFFAOYSA-N 1 0 412.874 -0.118 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)CC1 ZINC000504866328 1069745171 /nfs/dbraw/zinc/74/51/71/1069745171.db2.gz XXEPKFWAYILJCO-UHFFFAOYSA-N 1 0 403.483 -0.964 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000504868422 1069743542 /nfs/dbraw/zinc/74/35/42/1069743542.db2.gz FPCIXQQHNYDJOH-INIZCTEOSA-N 1 0 412.498 -0.026 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000504868423 1069743736 /nfs/dbraw/zinc/74/37/36/1069743736.db2.gz FPCIXQQHNYDJOH-MRXNPFEDSA-N 1 0 412.498 -0.026 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000504869233 1069744627 /nfs/dbraw/zinc/74/46/27/1069744627.db2.gz KUCCZQGMQQUHSR-ATNYBXOESA-N 1 0 403.545 -0.475 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000504869234 1069744560 /nfs/dbraw/zinc/74/45/60/1069744560.db2.gz KUCCZQGMQQUHSR-JTOWHCCKSA-N 1 0 403.545 -0.475 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000504869235 1069744368 /nfs/dbraw/zinc/74/43/68/1069744368.db2.gz KUCCZQGMQQUHSR-LUXYFRNMSA-N 1 0 403.545 -0.475 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000504869236 1069744314 /nfs/dbraw/zinc/74/43/14/1069744314.db2.gz KUCCZQGMQQUHSR-ZXFNITATSA-N 1 0 403.545 -0.475 20 0 HBADRO O=C(CO)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000504869999 1069744384 /nfs/dbraw/zinc/74/43/84/1069744384.db2.gz LAQQRQJKFJRIAG-UHFFFAOYSA-N 1 0 406.508 -0.163 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000504875686 1069744682 /nfs/dbraw/zinc/74/46/82/1069744682.db2.gz LQLQCRGSRYQUHC-UHFFFAOYSA-N 1 0 405.455 -0.822 20 0 HBADRO O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000504887649 1069746660 /nfs/dbraw/zinc/74/66/60/1069746660.db2.gz KFCQEEXZLRDACK-UHFFFAOYSA-N 1 0 420.535 -0.121 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000504888506 1069746607 /nfs/dbraw/zinc/74/66/07/1069746607.db2.gz PHSQWOGGNQDQSB-UHFFFAOYSA-N 1 0 417.510 -0.574 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1 ZINC000504927682 1069747834 /nfs/dbraw/zinc/74/78/34/1069747834.db2.gz SMUOXPDHSNDKSX-HNNXBMFYSA-N 1 0 414.528 -0.428 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1 ZINC000504927683 1069747984 /nfs/dbraw/zinc/74/79/84/1069747984.db2.gz SMUOXPDHSNDKSX-OAHLLOKOSA-N 1 0 414.528 -0.428 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000504957667 1069748554 /nfs/dbraw/zinc/74/85/54/1069748554.db2.gz PSUHLZZWMJTICX-UHFFFAOYSA-N 1 0 402.455 -0.581 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000504975562 1069748535 /nfs/dbraw/zinc/74/85/35/1069748535.db2.gz TYSGYKCZGBFZSR-UHFFFAOYSA-N 1 0 406.487 -0.342 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000504978143 1069748386 /nfs/dbraw/zinc/74/83/86/1069748386.db2.gz ZSYZRRWEGBAAHL-UHFFFAOYSA-N 1 0 422.559 -0.112 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000504981179 1069748493 /nfs/dbraw/zinc/74/84/93/1069748493.db2.gz PRDIQWPFMNMODS-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000504999094 1069748969 /nfs/dbraw/zinc/74/89/69/1069748969.db2.gz QRYMPBYJMXKNOM-UHFFFAOYSA-N 1 0 420.514 -0.163 20 0 HBADRO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000505031797 1069749613 /nfs/dbraw/zinc/74/96/13/1069749613.db2.gz CMDVYQLBBXLNBC-FQEVSTJZSA-N 1 0 406.483 -0.165 20 0 HBADRO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000505031798 1069749835 /nfs/dbraw/zinc/74/98/35/1069749835.db2.gz CMDVYQLBBXLNBC-HXUWFJFHSA-N 1 0 406.483 -0.165 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000505056416 1069750480 /nfs/dbraw/zinc/75/04/80/1069750480.db2.gz VCBGDFLFEUFMJX-HNNXBMFYSA-N 1 0 408.503 -0.165 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000505056417 1069750276 /nfs/dbraw/zinc/75/02/76/1069750276.db2.gz VCBGDFLFEUFMJX-OAHLLOKOSA-N 1 0 408.503 -0.165 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@H](F)C[C@H]2C(N)=O)CC1 ZINC000505061632 1069750555 /nfs/dbraw/zinc/75/05/55/1069750555.db2.gz YNFSKLRPMOCUNW-CJNGLKHVSA-N 1 0 419.457 -0.173 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000505073917 1069751228 /nfs/dbraw/zinc/75/12/28/1069751228.db2.gz IDRIVWJFYWNJGL-UHFFFAOYSA-N 1 0 420.514 -0.021 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)c2)CC1 ZINC000505160549 1069754255 /nfs/dbraw/zinc/75/42/55/1069754255.db2.gz VNDNZZSYZDIPPD-UHFFFAOYSA-N 1 0 413.482 -0.358 20 0 HBADRO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCS1(=O)=O ZINC000505179702 1069755571 /nfs/dbraw/zinc/75/55/71/1069755571.db2.gz LDVFYCCHBANOSB-INIZCTEOSA-N 1 0 414.532 -0.441 20 0 HBADRO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCS1(=O)=O ZINC000505179705 1071308091 /nfs/dbraw/zinc/30/80/91/1071308091.db2.gz LDVFYCCHBANOSB-MRXNPFEDSA-N 1 0 414.532 -0.441 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000505263883 1069759123 /nfs/dbraw/zinc/75/91/23/1069759123.db2.gz IARGFCVWGOSELY-UHFFFAOYSA-N 1 0 415.454 -0.215 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000505265482 1069759175 /nfs/dbraw/zinc/75/91/75/1069759175.db2.gz LCOYNKXFLUKNJN-UHFFFAOYSA-N 1 0 408.484 -0.926 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000505265769 1069759367 /nfs/dbraw/zinc/75/93/67/1069759367.db2.gz RXPYPMTWLMBZIS-UHFFFAOYSA-N 1 0 402.459 -0.252 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)cn2)CC1 ZINC000505278970 1069759997 /nfs/dbraw/zinc/75/99/97/1069759997.db2.gz BQONHWSTNXUYLV-UHFFFAOYSA-N 1 0 415.454 -0.238 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CCCCNC3=O)ccc2oc1=O ZINC000505319187 1069761764 /nfs/dbraw/zinc/76/17/64/1069761764.db2.gz XOIVROSHJYBWBE-CYBMUJFWSA-N 1 0 403.439 -0.121 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CCCCNC3=O)ccc2oc1=O ZINC000505319192 1069761926 /nfs/dbraw/zinc/76/19/26/1069761926.db2.gz XOIVROSHJYBWBE-ZDUSSCGKSA-N 1 0 403.439 -0.121 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000505349418 1069762513 /nfs/dbraw/zinc/76/25/13/1069762513.db2.gz KZIWXXOFAHJKFU-UHFFFAOYSA-N 1 0 411.528 -0.285 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000505356301 1069763144 /nfs/dbraw/zinc/76/31/44/1069763144.db2.gz UMIROLRHDTZSQG-UHFFFAOYSA-N 1 0 416.482 -0.742 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000505362728 1069763223 /nfs/dbraw/zinc/76/32/23/1069763223.db2.gz SGIHXXKGURVDIN-UHFFFAOYSA-N 1 0 411.528 -0.237 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000505369218 1069763764 /nfs/dbraw/zinc/76/37/64/1069763764.db2.gz VSWSDIDOLYTMEX-UHFFFAOYSA-N 1 0 402.455 -0.340 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000505374465 1069762473 /nfs/dbraw/zinc/76/24/73/1069762473.db2.gz DMQVNNBFGDCJBL-UHFFFAOYSA-N 1 0 412.512 -0.031 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC000505375007 1069762581 /nfs/dbraw/zinc/76/25/81/1069762581.db2.gz KOXAETGWSMTKJW-UHFFFAOYSA-N 1 0 419.486 -0.693 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000505382715 1069763675 /nfs/dbraw/zinc/76/36/75/1069763675.db2.gz QQSPKAYQMOFBOM-UHFFFAOYSA-N 1 0 416.482 -0.742 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000505386319 1069763721 /nfs/dbraw/zinc/76/37/21/1069763721.db2.gz ASWMGCISAOJMLC-UHFFFAOYSA-N 1 0 414.532 -0.981 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000505390770 1069764369 /nfs/dbraw/zinc/76/43/69/1069764369.db2.gz XQULFYBJQQSDQV-UHFFFAOYSA-N 1 0 400.545 -0.409 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C[C@H]1C(N)=O ZINC000505440340 1069801992 /nfs/dbraw/zinc/80/19/92/1069801992.db2.gz OWADETZQNKKFMD-GDBMZVCRSA-N 1 0 415.494 -0.017 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@@](O)(C(N)=O)C3)cn2)CC1 ZINC000505472234 1069809165 /nfs/dbraw/zinc/80/91/65/1069809165.db2.gz QXYLOSPIFPVBAL-IBGZPJMESA-N 1 0 405.455 -0.668 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@](O)(C(N)=O)C3)cn2)CC1 ZINC000505472235 1069808699 /nfs/dbraw/zinc/80/86/99/1069808699.db2.gz QXYLOSPIFPVBAL-LJQANCHMSA-N 1 0 405.455 -0.668 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000505620444 1069878592 /nfs/dbraw/zinc/87/85/92/1069878592.db2.gz JNENWQRTGOPWNJ-BBRMVZONSA-N 1 0 401.467 -0.347 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000505620445 1069878361 /nfs/dbraw/zinc/87/83/61/1069878361.db2.gz JNENWQRTGOPWNJ-CJNGLKHVSA-N 1 0 401.467 -0.347 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000505620446 1069878480 /nfs/dbraw/zinc/87/84/80/1069878480.db2.gz JNENWQRTGOPWNJ-CZUORRHYSA-N 1 0 401.467 -0.347 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000505620447 1069878795 /nfs/dbraw/zinc/87/87/95/1069878795.db2.gz JNENWQRTGOPWNJ-XJKSGUPXSA-N 1 0 401.467 -0.347 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000505621299 1069877703 /nfs/dbraw/zinc/87/77/03/1069877703.db2.gz RAFXOFLPPKLBEU-UHFFFAOYSA-N 1 0 401.467 -0.131 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000505622536 1069878044 /nfs/dbraw/zinc/87/80/44/1069878044.db2.gz ULPDDZYXMOEMTI-IBGZPJMESA-N 1 0 421.523 -0.346 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000505622540 1069877916 /nfs/dbraw/zinc/87/79/16/1069877916.db2.gz ULPDDZYXMOEMTI-LJQANCHMSA-N 1 0 421.523 -0.346 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000505625834 1071321483 /nfs/dbraw/zinc/32/14/83/1071321483.db2.gz YQFRAIKVWCNQJK-BLLLJJGKSA-N 1 0 401.467 -0.300 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000505625835 1071321622 /nfs/dbraw/zinc/32/16/22/1071321622.db2.gz YQFRAIKVWCNQJK-LRDDRELGSA-N 1 0 401.467 -0.300 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000505625836 1069883452 /nfs/dbraw/zinc/88/34/52/1069883452.db2.gz YQFRAIKVWCNQJK-MLGOLLRUSA-N 1 0 401.467 -0.300 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000505625837 1069883141 /nfs/dbraw/zinc/88/31/41/1069883141.db2.gz YQFRAIKVWCNQJK-WBMJQRKESA-N 1 0 401.467 -0.300 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)C1 ZINC000505626549 1069881827 /nfs/dbraw/zinc/88/18/27/1069881827.db2.gz UKGFHCWPFZVMIU-AWEZNQCLSA-N 1 0 403.483 -0.099 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)C1 ZINC000505626550 1069882551 /nfs/dbraw/zinc/88/25/51/1069882551.db2.gz UKGFHCWPFZVMIU-CQSZACIVSA-N 1 0 403.483 -0.099 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000505653144 1069897681 /nfs/dbraw/zinc/89/76/81/1069897681.db2.gz XFBDMKKOZKHRKZ-KFWWJZLASA-N 1 0 404.533 -0.522 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000505653145 1069897420 /nfs/dbraw/zinc/89/74/20/1069897420.db2.gz XFBDMKKOZKHRKZ-ZNMIVQPWSA-N 1 0 404.533 -0.522 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000505669397 1069901785 /nfs/dbraw/zinc/90/17/85/1069901785.db2.gz AOTIKAUMIANLPB-CVEARBPZSA-N 1 0 401.467 -0.204 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000505698341 1069912626 /nfs/dbraw/zinc/91/26/26/1069912626.db2.gz VJRPGZXADQOSLZ-DLBZAZTESA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000505698342 1069912497 /nfs/dbraw/zinc/91/24/97/1069912497.db2.gz VJRPGZXADQOSLZ-IAGOWNOFSA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000505698343 1069912827 /nfs/dbraw/zinc/91/28/27/1069912827.db2.gz VJRPGZXADQOSLZ-IRXDYDNUSA-N 1 0 414.576 -0.567 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000505698344 1069912776 /nfs/dbraw/zinc/91/27/76/1069912776.db2.gz VJRPGZXADQOSLZ-SJORKVTESA-N 1 0 414.576 -0.567 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000505720674 1069938155 /nfs/dbraw/zinc/93/81/55/1069938155.db2.gz VBJHBGHGDNUUGC-HZPDHXFCSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000505720675 1069938361 /nfs/dbraw/zinc/93/83/61/1069938361.db2.gz VBJHBGHGDNUUGC-JKSUJKDBSA-N 1 0 401.533 -0.483 20 0 HBADRO CN(C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1)S(C)(=O)=O ZINC000505776511 1069964453 /nfs/dbraw/zinc/96/44/53/1069964453.db2.gz LAOFHIXKCHUZRF-UHFFFAOYSA-N 1 0 412.516 -0.820 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000505781545 1069967763 /nfs/dbraw/zinc/96/77/63/1069967763.db2.gz GBOVRBQKXPQKRM-CABCVRRESA-N 1 0 420.514 -0.313 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000505781551 1069967812 /nfs/dbraw/zinc/96/78/12/1069967812.db2.gz GBOVRBQKXPQKRM-GJZGRUSLSA-N 1 0 420.514 -0.313 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000505781552 1069967711 /nfs/dbraw/zinc/96/77/11/1069967711.db2.gz GBOVRBQKXPQKRM-HUUCEWRRSA-N 1 0 420.514 -0.313 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000505781553 1069967936 /nfs/dbraw/zinc/96/79/36/1069967936.db2.gz GBOVRBQKXPQKRM-LSDHHAIUSA-N 1 0 420.514 -0.313 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000505790380 1069970202 /nfs/dbraw/zinc/97/02/02/1069970202.db2.gz QJQKLYHAIBWHBL-HNNXBMFYSA-N 1 0 418.498 -0.129 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000505790381 1069970387 /nfs/dbraw/zinc/97/03/87/1069970387.db2.gz QJQKLYHAIBWHBL-OAHLLOKOSA-N 1 0 418.498 -0.129 20 0 HBADRO COCCCNC(=O)C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000505797745 1069972693 /nfs/dbraw/zinc/97/26/93/1069972693.db2.gz WWMPDCVVOCFNJC-UHFFFAOYSA-N 1 0 420.514 -0.312 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000505839130 1069988479 /nfs/dbraw/zinc/98/84/79/1069988479.db2.gz NAKRKQNVPYVJES-UHFFFAOYSA-N 1 0 403.483 -0.051 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000505854590 1069997586 /nfs/dbraw/zinc/99/75/86/1069997586.db2.gz HSKZDALRXMBHHC-CVEARBPZSA-N 1 0 401.467 -0.156 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000505854591 1069997675 /nfs/dbraw/zinc/99/76/75/1069997675.db2.gz HSKZDALRXMBHHC-HOTGVXAUSA-N 1 0 401.467 -0.156 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000505854592 1069997890 /nfs/dbraw/zinc/99/78/90/1069997890.db2.gz HSKZDALRXMBHHC-HZPDHXFCSA-N 1 0 401.467 -0.156 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000505854593 1069998500 /nfs/dbraw/zinc/99/85/00/1069998500.db2.gz HSKZDALRXMBHHC-JKSUJKDBSA-N 1 0 401.467 -0.156 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000505871094 1070004441 /nfs/dbraw/zinc/00/44/41/1070004441.db2.gz HCLVSOVDEBGEJS-AWEZNQCLSA-N 1 0 403.483 -0.051 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000505871095 1070004857 /nfs/dbraw/zinc/00/48/57/1070004857.db2.gz HCLVSOVDEBGEJS-CQSZACIVSA-N 1 0 403.483 -0.051 20 0 HBADRO COC(=O)[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C(=O)OC)C1 ZINC000506012675 1070043158 /nfs/dbraw/zinc/04/31/58/1070043158.db2.gz MVBVDMOORRVGFF-BRWVUGGUSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@H](C(=O)OC)C1 ZINC000506012676 1070043964 /nfs/dbraw/zinc/04/39/64/1070043964.db2.gz MVBVDMOORRVGFF-IKGGRYGDSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C(=O)OC)C1 ZINC000506012677 1070044257 /nfs/dbraw/zinc/04/42/57/1070044257.db2.gz MVBVDMOORRVGFF-IXDOHACOSA-N 1 0 413.515 -0.114 20 0 HBADRO COC(=O)[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H](C(=O)OC)C1 ZINC000506012678 1070043809 /nfs/dbraw/zinc/04/38/09/1070043809.db2.gz MVBVDMOORRVGFF-ZACQAIPSSA-N 1 0 413.515 -0.114 20 0 HBADRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CCOCC1 ZINC000506013453 1070045434 /nfs/dbraw/zinc/04/54/34/1070045434.db2.gz SWKSXENBSWZDOQ-UHFFFAOYSA-N 1 0 406.468 -0.062 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000506016242 1070044946 /nfs/dbraw/zinc/04/49/46/1070044946.db2.gz ALEQKCZFPKPVHX-KBPBESRZSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000506016243 1070044649 /nfs/dbraw/zinc/04/46/49/1070044649.db2.gz ALEQKCZFPKPVHX-KGLIPLIRSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000506016244 1070044693 /nfs/dbraw/zinc/04/46/93/1070044693.db2.gz ALEQKCZFPKPVHX-UONOGXRCSA-N 1 0 411.503 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000506016245 1070044903 /nfs/dbraw/zinc/04/49/03/1070044903.db2.gz ALEQKCZFPKPVHX-ZIAGYGMSSA-N 1 0 411.503 -0.131 20 0 HBADRO C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOCC1 ZINC000506026614 1071331779 /nfs/dbraw/zinc/33/17/79/1071331779.db2.gz HCURPADBUJJQKP-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCOCC1 ZINC000506028342 1070047527 /nfs/dbraw/zinc/04/75/27/1070047527.db2.gz SHIVVSWIQWOYPN-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCOCC1 ZINC000506028346 1070047606 /nfs/dbraw/zinc/04/76/06/1070047606.db2.gz SHQCEBDNHQDJBP-UHFFFAOYSA-N 1 0 400.501 -0.124 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000506052311 1070063074 /nfs/dbraw/zinc/06/30/74/1070063074.db2.gz SUTFBPDCFSCCEF-DZGCQCFKSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000506052312 1070062864 /nfs/dbraw/zinc/06/28/64/1070062864.db2.gz SUTFBPDCFSCCEF-HIFRSBDPSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000506052313 1070063195 /nfs/dbraw/zinc/06/31/95/1070063195.db2.gz SUTFBPDCFSCCEF-UKRRQHHQSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000506052314 1070063253 /nfs/dbraw/zinc/06/32/53/1070063253.db2.gz SUTFBPDCFSCCEF-ZFWWWQNUSA-N 1 0 400.501 -0.173 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(c3ccnn3CCO)CC1)c(=O)n2C ZINC000506071573 1070069615 /nfs/dbraw/zinc/06/96/15/1070069615.db2.gz LOCXBYDYELKNRJ-UHFFFAOYSA-N 1 0 415.498 -0.108 20 0 HBADRO Cn1cc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(=O)n(C)c1=O ZINC000506123755 1071335487 /nfs/dbraw/zinc/33/54/87/1071335487.db2.gz CLTSOFPSXHHPBA-UHFFFAOYSA-N 1 0 402.480 -0.529 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCN1C(=O)CCC1=O ZINC000506149284 1070087128 /nfs/dbraw/zinc/08/71/28/1070087128.db2.gz QJDKGCOBVKCDOM-UHFFFAOYSA-N 1 0 403.487 -0.173 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506150826 1070086885 /nfs/dbraw/zinc/08/68/85/1070086885.db2.gz YKQKBWWCYOLXSV-KRWDZBQOSA-N 1 0 418.494 -0.561 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506150838 1070086974 /nfs/dbraw/zinc/08/69/74/1070086974.db2.gz YKQKBWWCYOLXSV-QGZVFWFLSA-N 1 0 418.494 -0.561 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506162419 1070091436 /nfs/dbraw/zinc/09/14/36/1070091436.db2.gz LNTPUTWBRHEREG-UHFFFAOYSA-N 1 0 420.510 -0.314 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506168475 1070098900 /nfs/dbraw/zinc/09/89/00/1070098900.db2.gz LOXKMVDMSAUFFR-UHFFFAOYSA-N 1 0 418.494 -0.560 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccccc3OCCO)C2)CC1 ZINC000506174810 1070102436 /nfs/dbraw/zinc/10/24/36/1070102436.db2.gz GADARVQYIMZCFV-GOSISDBHSA-N 1 0 404.511 -0.088 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccccc3OCCO)C2)CC1 ZINC000506174811 1070102589 /nfs/dbraw/zinc/10/25/89/1070102589.db2.gz GADARVQYIMZCFV-SFHVURJKSA-N 1 0 404.511 -0.088 20 0 HBADRO CNC(=O)c1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cn1C ZINC000506206858 1070129267 /nfs/dbraw/zinc/12/92/67/1070129267.db2.gz ODIKNXTYOZTZGW-CYBMUJFWSA-N 1 0 420.557 -0.486 20 0 HBADRO CNC(=O)c1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cn1C ZINC000506206859 1070129449 /nfs/dbraw/zinc/12/94/49/1070129449.db2.gz ODIKNXTYOZTZGW-ZDUSSCGKSA-N 1 0 420.557 -0.486 20 0 HBADRO C[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000506213460 1070134597 /nfs/dbraw/zinc/13/45/97/1070134597.db2.gz CHOIGNUTBLDGBD-ZDUSSCGKSA-N 1 0 408.503 -0.347 20 0 HBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000506227664 1070143154 /nfs/dbraw/zinc/14/31/54/1070143154.db2.gz QNOYQZFWWVXRSX-IBGZPJMESA-N 1 0 407.471 -0.438 20 0 HBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000506227665 1070142965 /nfs/dbraw/zinc/14/29/65/1070142965.db2.gz QNOYQZFWWVXRSX-LJQANCHMSA-N 1 0 407.471 -0.438 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000506269080 1070152101 /nfs/dbraw/zinc/15/21/01/1070152101.db2.gz GZVZYVSFIGEMHP-UHFFFAOYSA-N 1 0 417.466 -0.363 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000506273540 1070154042 /nfs/dbraw/zinc/15/40/42/1070154042.db2.gz SVRQEQJXCZLJJU-UHFFFAOYSA-N 1 0 417.466 -0.363 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)cn1 ZINC000506276218 1070154163 /nfs/dbraw/zinc/15/41/63/1070154163.db2.gz WYOASNNUOCHZPU-INIZCTEOSA-N 1 0 402.521 -0.815 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)cn1 ZINC000506276219 1070154028 /nfs/dbraw/zinc/15/40/28/1070154028.db2.gz WYOASNNUOCHZPU-MRXNPFEDSA-N 1 0 402.521 -0.815 20 0 HBADRO COC(=O)C1(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCS(=O)(=O)CC1 ZINC000506319654 1070167537 /nfs/dbraw/zinc/16/75/37/1070167537.db2.gz BTRYPQKAYWIHBS-UHFFFAOYSA-N 1 0 410.496 -0.316 20 0 HBADRO NC(=O)c1cc(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000506356198 1070180730 /nfs/dbraw/zinc/18/07/30/1070180730.db2.gz DQYFGLGOSDZSIR-UHFFFAOYSA-N 1 0 402.459 -0.035 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)Cc2ccccc2C1 ZINC000506394351 1071350306 /nfs/dbraw/zinc/35/03/06/1071350306.db2.gz HWCOWFLGTZCYJN-UHFFFAOYSA-N 1 0 415.538 -0.390 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)CC2=O)cn1 ZINC000506397281 1070194997 /nfs/dbraw/zinc/19/49/97/1070194997.db2.gz DWKFQDXEJLQTGJ-UHFFFAOYSA-N 1 0 424.505 -0.189 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(=O)NCCF ZINC000506407584 1070198150 /nfs/dbraw/zinc/19/81/50/1070198150.db2.gz UXYBOEGPNVFLAR-LLVKDONJSA-N 1 0 409.418 -0.315 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(=O)NCCF ZINC000506407590 1070198192 /nfs/dbraw/zinc/19/81/92/1070198192.db2.gz UXYBOEGPNVFLAR-NSHDSACASA-N 1 0 409.418 -0.315 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000506410403 1070198879 /nfs/dbraw/zinc/19/88/79/1070198879.db2.gz RFQMPEXYNQMNCI-UHFFFAOYSA-N 1 0 415.538 -0.518 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506415426 1070200480 /nfs/dbraw/zinc/20/04/80/1070200480.db2.gz AHNOZQSNCWGCOP-KRWDZBQOSA-N 1 0 422.551 -0.258 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506415436 1070200446 /nfs/dbraw/zinc/20/04/46/1070200446.db2.gz AHNOZQSNCWGCOP-QGZVFWFLSA-N 1 0 422.551 -0.258 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000506419534 1070201525 /nfs/dbraw/zinc/20/15/25/1070201525.db2.gz DJOSTNNOTLELPS-UHFFFAOYSA-N 1 0 402.495 -0.481 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)Cc2ccccc2C1 ZINC000506428806 1070202019 /nfs/dbraw/zinc/20/20/19/1070202019.db2.gz LOQHJPXBEDAMHR-UHFFFAOYSA-N 1 0 408.524 -0.791 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C(=O)N1CCOCC1 ZINC000506429169 1070202418 /nfs/dbraw/zinc/20/24/18/1070202418.db2.gz MVWOBKGEEDQORL-GOSISDBHSA-N 1 0 416.522 -0.045 20 0 HBADRO CC[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C(=O)N1CCOCC1 ZINC000506429177 1070202360 /nfs/dbraw/zinc/20/23/60/1070202360.db2.gz MVWOBKGEEDQORL-SFHVURJKSA-N 1 0 416.522 -0.045 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)Cc2ccccc2C1 ZINC000506435548 1070207298 /nfs/dbraw/zinc/20/72/98/1070207298.db2.gz AFUKFPNSCGAZJB-QGZVFWFLSA-N 1 0 422.551 -0.258 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000506437096 1070207277 /nfs/dbraw/zinc/20/72/77/1070207277.db2.gz HXYKMXKHMSHWEC-GOSISDBHSA-N 1 0 402.495 -0.435 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000506437097 1070207514 /nfs/dbraw/zinc/20/75/14/1070207514.db2.gz HXYKMXKHMSHWEC-SFHVURJKSA-N 1 0 402.495 -0.435 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437111 1070207219 /nfs/dbraw/zinc/20/72/19/1070207219.db2.gz IBTHXQNUVLPVRD-IBGZPJMESA-N 1 0 418.538 -0.647 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437112 1070207430 /nfs/dbraw/zinc/20/74/30/1070207430.db2.gz IBTHXQNUVLPVRD-LJQANCHMSA-N 1 0 418.538 -0.647 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000506437993 1070206170 /nfs/dbraw/zinc/20/61/70/1070206170.db2.gz KORLCMOLEDVISJ-UHFFFAOYSA-N 1 0 422.551 -0.304 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1 ZINC000506439708 1070205946 /nfs/dbraw/zinc/20/59/46/1070205946.db2.gz ROBBVODILVBASO-UHFFFAOYSA-N 1 0 408.524 -0.694 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1=O ZINC000506440918 1070206516 /nfs/dbraw/zinc/20/65/16/1070206516.db2.gz WNJXGIIQOWAWKR-UHFFFAOYSA-N 1 0 416.522 -0.091 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506441422 1070206571 /nfs/dbraw/zinc/20/65/71/1070206571.db2.gz YVIUDAVGTFARGA-KRWDZBQOSA-N 1 0 422.551 -0.258 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506441423 1070206814 /nfs/dbraw/zinc/20/68/14/1070206814.db2.gz YVIUDAVGTFARGA-QGZVFWFLSA-N 1 0 422.551 -0.258 20 0 HBADRO CC(C)[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000506460252 1070215653 /nfs/dbraw/zinc/21/56/53/1070215653.db2.gz SPADENXBTMNYCF-KRWDZBQOSA-N 1 0 418.494 -0.238 20 0 HBADRO CC(C)[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000506460253 1070215550 /nfs/dbraw/zinc/21/55/50/1070215550.db2.gz SPADENXBTMNYCF-QGZVFWFLSA-N 1 0 418.494 -0.238 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)ccc2oc1=O ZINC000506484741 1070229928 /nfs/dbraw/zinc/22/99/28/1070229928.db2.gz FZSRUIMJGCPGNS-CYBMUJFWSA-N 1 0 424.479 -0.260 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)ccc2oc1=O ZINC000506484745 1070229825 /nfs/dbraw/zinc/22/98/25/1070229825.db2.gz FZSRUIMJGCPGNS-ZDUSSCGKSA-N 1 0 424.479 -0.260 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000506508999 1070242254 /nfs/dbraw/zinc/24/22/54/1070242254.db2.gz SEWXYORTPDPMJB-KBPBESRZSA-N 1 0 404.558 -0.182 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000506509001 1070242406 /nfs/dbraw/zinc/24/24/06/1070242406.db2.gz SEWXYORTPDPMJB-KGLIPLIRSA-N 1 0 404.558 -0.182 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000506509003 1070242199 /nfs/dbraw/zinc/24/21/99/1070242199.db2.gz SEWXYORTPDPMJB-UONOGXRCSA-N 1 0 404.558 -0.182 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000506509008 1070242334 /nfs/dbraw/zinc/24/23/34/1070242334.db2.gz SEWXYORTPDPMJB-ZIAGYGMSSA-N 1 0 404.558 -0.182 20 0 HBADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506522073 1070248925 /nfs/dbraw/zinc/24/89/25/1070248925.db2.gz GCIOFPHDHJILLM-ULQDDVLXSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506522074 1070248902 /nfs/dbraw/zinc/24/89/02/1070248902.db2.gz GCIOFPHDHJILLM-YESZJQIVSA-N 1 0 413.540 -0.407 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1=O ZINC000506523259 1070249505 /nfs/dbraw/zinc/24/95/05/1070249505.db2.gz SBWOIGQSUZKSMN-HNNXBMFYSA-N 1 0 400.545 -0.187 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1=O ZINC000506523260 1070249294 /nfs/dbraw/zinc/24/92/94/1070249294.db2.gz SBWOIGQSUZKSMN-OAHLLOKOSA-N 1 0 400.545 -0.187 20 0 HBADRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000506587350 1070276039 /nfs/dbraw/zinc/27/60/39/1070276039.db2.gz SPHZQJVZCRPEEI-KRWDZBQOSA-N 1 0 422.526 -0.736 20 0 HBADRO COC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000506587358 1070276264 /nfs/dbraw/zinc/27/62/64/1070276264.db2.gz SPHZQJVZCRPEEI-QGZVFWFLSA-N 1 0 422.526 -0.736 20 0 HBADRO Cc1cc(N2CCC[C@H](N3CC[NH+](CCCC(=O)NC(N)=O)CC3)C2=O)n(C)n1 ZINC000506622997 1070289143 /nfs/dbraw/zinc/28/91/43/1070289143.db2.gz BTTJPBIQEWWETJ-HNNXBMFYSA-N 1 0 405.503 -0.183 20 0 HBADRO Cc1cc(N2CCC[C@@H](N3CC[NH+](CCCC(=O)NC(N)=O)CC3)C2=O)n(C)n1 ZINC000506622998 1070288979 /nfs/dbraw/zinc/28/89/79/1070288979.db2.gz BTTJPBIQEWWETJ-OAHLLOKOSA-N 1 0 405.503 -0.183 20 0 HBADRO C[NH+](C)C1(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCOCC1 ZINC000506634586 1070292582 /nfs/dbraw/zinc/29/25/82/1070292582.db2.gz IMTDLHPZHHZXJZ-UHFFFAOYSA-N 1 0 419.530 -0.075 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)cn1 ZINC000506711498 1070313294 /nfs/dbraw/zinc/31/32/94/1070313294.db2.gz PMJNABJFHLTWRM-CHWSQXEVSA-N 1 0 416.429 -0.224 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000506714749 1069546069 /nfs/dbraw/zinc/54/60/69/1069546069.db2.gz GSLJQMXHPDKTPJ-CHWSQXEVSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000506714750 1069546082 /nfs/dbraw/zinc/54/60/82/1069546082.db2.gz GSLJQMXHPDKTPJ-OLZOCXBDSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000506715458 1070314715 /nfs/dbraw/zinc/31/47/15/1070314715.db2.gz JUHFTWSTUGBENM-JXFKEZNVSA-N 1 0 421.546 -0.106 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000506715459 1070314945 /nfs/dbraw/zinc/31/49/45/1070314945.db2.gz JUHFTWSTUGBENM-OXJNMPFZSA-N 1 0 421.546 -0.106 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000506715460 1070314656 /nfs/dbraw/zinc/31/46/56/1070314656.db2.gz JUHFTWSTUGBENM-OXQOHEQNSA-N 1 0 421.546 -0.106 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000506715461 1070314880 /nfs/dbraw/zinc/31/48/80/1070314880.db2.gz JUHFTWSTUGBENM-UZLBHIALSA-N 1 0 421.546 -0.106 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000506733920 1070324484 /nfs/dbraw/zinc/32/44/84/1070324484.db2.gz AUORCVVDMQSYRZ-KRWDZBQOSA-N 1 0 402.517 -0.277 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000506733921 1070324164 /nfs/dbraw/zinc/32/41/64/1070324164.db2.gz AUORCVVDMQSYRZ-QGZVFWFLSA-N 1 0 402.517 -0.277 20 0 HBADRO COC(=O)[C@]1(C)CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000506738514 1070326040 /nfs/dbraw/zinc/32/60/40/1070326040.db2.gz NZZTVNYEKGPOBM-BFUOFWGJSA-N 1 0 422.486 -0.843 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506762516 1070338997 /nfs/dbraw/zinc/33/89/97/1070338997.db2.gz PYBVFGBXCMKKNH-KRWDZBQOSA-N 1 0 402.517 -0.589 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506762520 1070339035 /nfs/dbraw/zinc/33/90/35/1070339035.db2.gz PYBVFGBXCMKKNH-QGZVFWFLSA-N 1 0 402.517 -0.589 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000506764499 1070340756 /nfs/dbraw/zinc/34/07/56/1070340756.db2.gz BBBSKYYDNWNNQG-AWEZNQCLSA-N 1 0 410.496 -0.157 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC(=O)N1C ZINC000506780142 1070347884 /nfs/dbraw/zinc/34/78/84/1070347884.db2.gz OBTCZGIQBJSUQY-INIZCTEOSA-N 1 0 417.510 -0.060 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC(=O)N1C ZINC000506780173 1070347729 /nfs/dbraw/zinc/34/77/29/1070347729.db2.gz OBTCZGIQBJSUQY-MRXNPFEDSA-N 1 0 417.510 -0.060 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC(=O)N1C ZINC000506812866 1070362120 /nfs/dbraw/zinc/36/21/20/1070362120.db2.gz LXPQWRDHISQZQI-GFCCVEGCSA-N 1 0 403.439 -0.216 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC(=O)N1C ZINC000506812872 1070361958 /nfs/dbraw/zinc/36/19/58/1070361958.db2.gz LXPQWRDHISQZQI-LBPRGKRZSA-N 1 0 403.439 -0.216 20 0 HBADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCOCC1 ZINC000506823341 1070368510 /nfs/dbraw/zinc/36/85/10/1070368510.db2.gz SEOLUNNLOPBTPD-HNNXBMFYSA-N 1 0 406.549 -0.115 20 0 HBADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCOCC1 ZINC000506823364 1070367487 /nfs/dbraw/zinc/36/74/87/1070367487.db2.gz SEOLUNNLOPBTPD-OAHLLOKOSA-N 1 0 406.549 -0.115 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)C[NH+](C)C)CC3)nc2)CC1 ZINC000506840733 1070374263 /nfs/dbraw/zinc/37/42/63/1070374263.db2.gz PSLSOGPUOLQPDH-UHFFFAOYSA-N 1 0 410.544 -0.772 20 0 HBADRO NS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000506922667 1070424527 /nfs/dbraw/zinc/42/45/27/1070424527.db2.gz KCKXMWALTZVWEC-UHFFFAOYSA-N 1 0 413.569 -0.005 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2)CC1 ZINC000506928614 1070425004 /nfs/dbraw/zinc/42/50/04/1070425004.db2.gz SIISIIWNQHZHJT-UHFFFAOYSA-N 1 0 412.498 -0.595 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000506936633 1070425995 /nfs/dbraw/zinc/42/59/95/1070425995.db2.gz JENJLKCBUIJFNW-CYBMUJFWSA-N 1 0 418.541 -0.076 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000506936634 1070425971 /nfs/dbraw/zinc/42/59/71/1070425971.db2.gz JENJLKCBUIJFNW-ZDUSSCGKSA-N 1 0 418.541 -0.076 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c(=O)n2C ZINC000506937222 1070426031 /nfs/dbraw/zinc/42/60/31/1070426031.db2.gz OPGONMSOZMNTJG-CYBMUJFWSA-N 1 0 412.516 -0.915 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c(=O)n2C ZINC000506937223 1070426142 /nfs/dbraw/zinc/42/61/42/1070426142.db2.gz OPGONMSOZMNTJG-ZDUSSCGKSA-N 1 0 412.516 -0.915 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000506941329 1070426159 /nfs/dbraw/zinc/42/61/59/1070426159.db2.gz UFFMBRZKUWJCJX-UHFFFAOYSA-N 1 0 406.468 -0.006 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c2ccccc2O1 ZINC000507039352 1070436521 /nfs/dbraw/zinc/43/65/21/1070436521.db2.gz JQSOBKPMZXLYGO-INIZCTEOSA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c2ccccc2O1 ZINC000507039358 1070436496 /nfs/dbraw/zinc/43/64/96/1070436496.db2.gz JQSOBKPMZXLYGO-MRXNPFEDSA-N 1 0 404.467 -0.246 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000507045439 1070438486 /nfs/dbraw/zinc/43/84/86/1070438486.db2.gz JHHPCIPODFAXRV-INIZCTEOSA-N 1 0 416.486 -0.024 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000507045440 1070438563 /nfs/dbraw/zinc/43/85/63/1070438563.db2.gz JHHPCIPODFAXRV-MRXNPFEDSA-N 1 0 416.486 -0.024 20 0 HBADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000507101300 1070444875 /nfs/dbraw/zinc/44/48/75/1070444875.db2.gz GDTBNBUTQWPQMH-UHFFFAOYSA-N 1 0 418.542 -0.148 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1)N1CCCC1 ZINC000507141367 1070448755 /nfs/dbraw/zinc/44/87/55/1070448755.db2.gz JQXRHQXDCSMLGV-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000507143200 1070449400 /nfs/dbraw/zinc/44/94/00/1070449400.db2.gz PUKTUHLOMGOMLB-GOSISDBHSA-N 1 0 418.542 -0.149 20 0 HBADRO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000507143201 1070449519 /nfs/dbraw/zinc/44/95/19/1070449519.db2.gz PUKTUHLOMGOMLB-SFHVURJKSA-N 1 0 418.542 -0.149 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507165334 1069657315 /nfs/dbraw/zinc/65/73/15/1069657315.db2.gz UALBWYFMXIJJMN-CYBMUJFWSA-N 1 0 406.468 -0.006 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507165335 1070453463 /nfs/dbraw/zinc/45/34/63/1070453463.db2.gz UALBWYFMXIJJMN-ZDUSSCGKSA-N 1 0 406.468 -0.006 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000507167122 1070453399 /nfs/dbraw/zinc/45/33/99/1070453399.db2.gz INJUEYHNOWHYKG-UHFFFAOYSA-N 1 0 417.554 -0.046 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507185862 1069584179 /nfs/dbraw/zinc/58/41/79/1069584179.db2.gz COHNWMPQTJTBKC-UHFFFAOYSA-N 1 0 421.465 -0.066 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000507216251 1070460423 /nfs/dbraw/zinc/46/04/23/1070460423.db2.gz GKWSSTFOGGORMV-DLBZAZTESA-N 1 0 419.592 -0.606 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000507216252 1070460506 /nfs/dbraw/zinc/46/05/06/1070460506.db2.gz GKWSSTFOGGORMV-IAGOWNOFSA-N 1 0 419.592 -0.606 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000507216253 1070460579 /nfs/dbraw/zinc/46/05/79/1070460579.db2.gz GKWSSTFOGGORMV-IRXDYDNUSA-N 1 0 419.592 -0.606 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000507216254 1070460598 /nfs/dbraw/zinc/46/05/98/1070460598.db2.gz GKWSSTFOGGORMV-SJORKVTESA-N 1 0 419.592 -0.606 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507222940 1069587231 /nfs/dbraw/zinc/58/72/31/1069587231.db2.gz DRXBMQITCAEWBV-UHFFFAOYSA-N 1 0 424.508 -0.299 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(OCCO)CCOCC1 ZINC000507243237 1070462832 /nfs/dbraw/zinc/46/28/32/1070462832.db2.gz PPZNGFLNMYULCG-INIZCTEOSA-N 1 0 400.520 -0.214 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(OCCO)CCOCC1 ZINC000507243240 1070462883 /nfs/dbraw/zinc/46/28/83/1070462883.db2.gz PPZNGFLNMYULCG-MRXNPFEDSA-N 1 0 400.520 -0.214 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000507252503 1070464461 /nfs/dbraw/zinc/46/44/61/1070464461.db2.gz MTHMOPAQYPJWIA-UHFFFAOYSA-N 1 0 418.523 -0.005 20 0 HBADRO Cn1c(C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C2CCCCC2)cc(=O)n(C)c1=O ZINC000507324219 1070472883 /nfs/dbraw/zinc/47/28/83/1070472883.db2.gz GNJDBAPMBLUVGO-UHFFFAOYSA-N 1 0 403.483 -0.184 20 0 HBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCOCC1 ZINC000507324496 1070472852 /nfs/dbraw/zinc/47/28/52/1070472852.db2.gz HESPXZQDOMAGAK-UHFFFAOYSA-N 1 0 419.548 -0.999 20 0 HBADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507324621 1070472727 /nfs/dbraw/zinc/47/27/27/1070472727.db2.gz HOHOXHUGMTUUAU-AIGAYMNCSA-N 1 0 418.498 -0.619 20 0 HBADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507324626 1070472736 /nfs/dbraw/zinc/47/27/36/1070472736.db2.gz HOHOXHUGMTUUAU-ORAAPJFESA-N 1 0 418.498 -0.619 20 0 HBADRO CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)C(=O)Nc4cnn(CC(=O)NCC[NH+](C)C)c4)[C@H]1[C@H]3C2 ZINC000507324628 1070472787 /nfs/dbraw/zinc/47/27/87/1070472787.db2.gz HOHOXHUGMTUUAU-YARXLOAZSA-N 1 0 418.498 -0.619 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000507354185 1070475066 /nfs/dbraw/zinc/47/50/66/1070475066.db2.gz SFSOLWDPOHXTGX-GOSISDBHSA-N 1 0 422.551 -0.143 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000507354186 1070475005 /nfs/dbraw/zinc/47/50/05/1070475005.db2.gz SFSOLWDPOHXTGX-SFHVURJKSA-N 1 0 422.551 -0.143 20 0 HBADRO CNC(=O)[C@@H](NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000507357163 1070475093 /nfs/dbraw/zinc/47/50/93/1070475093.db2.gz IMBFOLWFMUPVRP-IBGZPJMESA-N 1 0 403.527 -0.020 20 0 HBADRO CNC(=O)[C@H](NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000507357164 1070475119 /nfs/dbraw/zinc/47/51/19/1070475119.db2.gz IMBFOLWFMUPVRP-LJQANCHMSA-N 1 0 403.527 -0.020 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000507375172 1070475130 /nfs/dbraw/zinc/47/51/30/1070475130.db2.gz MPEGVLJPGAEAIY-UHFFFAOYSA-N 1 0 411.528 -0.338 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000507376042 1070474950 /nfs/dbraw/zinc/47/49/50/1070474950.db2.gz RUMXRLNFGGLMSA-UHFFFAOYSA-N 1 0 411.528 -0.338 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000507386808 1070480029 /nfs/dbraw/zinc/48/00/29/1070480029.db2.gz QEQMLJCVZIUFEI-GOSISDBHSA-N 1 0 422.551 -0.191 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000507386812 1070479886 /nfs/dbraw/zinc/47/98/86/1070479886.db2.gz QEQMLJCVZIUFEI-SFHVURJKSA-N 1 0 422.551 -0.191 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507394224 1070476933 /nfs/dbraw/zinc/47/69/33/1070476933.db2.gz YLMCTPWDFFQEBL-UHFFFAOYSA-N 1 0 422.530 -0.240 20 0 HBADRO C[NH+](C)CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000507394403 1070478626 /nfs/dbraw/zinc/47/86/26/1070478626.db2.gz ZRNCXDLTPAOWDU-HNNXBMFYSA-N 1 0 405.542 -0.164 20 0 HBADRO C[NH+](C)CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000507394404 1070478553 /nfs/dbraw/zinc/47/85/53/1070478553.db2.gz ZRNCXDLTPAOWDU-OAHLLOKOSA-N 1 0 405.542 -0.164 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000507402708 1070485639 /nfs/dbraw/zinc/48/56/39/1070485639.db2.gz KVWRTTDBYQGJDA-UHFFFAOYSA-N 1 0 406.487 -0.562 20 0 HBADRO CN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CCN(C)C1=O ZINC000507402963 1070485627 /nfs/dbraw/zinc/48/56/27/1070485627.db2.gz NBFDFTFZMFCCJS-CYBMUJFWSA-N 1 0 403.439 -0.216 20 0 HBADRO CN(C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1CCN(C)C1=O ZINC000507402976 1070484942 /nfs/dbraw/zinc/48/49/42/1070484942.db2.gz NBFDFTFZMFCCJS-ZDUSSCGKSA-N 1 0 403.439 -0.216 20 0 HBADRO COc1ccc(CCNC(=O)NCC2CC[NH+](CCO)CC2)cc1S(N)(=O)=O ZINC000507407767 1070480900 /nfs/dbraw/zinc/48/09/00/1070480900.db2.gz OYGMGGUECMWVBB-UHFFFAOYSA-N 1 0 414.528 -0.111 20 0 HBADRO CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H]1CCN(C)C1=O ZINC000507407879 1070481031 /nfs/dbraw/zinc/48/10/31/1070481031.db2.gz UMAZEJJWOOLOIV-GOSISDBHSA-N 1 0 417.510 -0.060 20 0 HBADRO CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@H]1CCN(C)C1=O ZINC000507407884 1070481056 /nfs/dbraw/zinc/48/10/56/1070481056.db2.gz UMAZEJJWOOLOIV-SFHVURJKSA-N 1 0 417.510 -0.060 20 0 HBADRO CCN(C(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000507407943 1070480919 /nfs/dbraw/zinc/48/09/19/1070480919.db2.gz XGZPNNGWOIGAAL-INIZCTEOSA-N 1 0 402.561 -0.588 20 0 HBADRO CCN(C(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000507407951 1070480980 /nfs/dbraw/zinc/48/09/80/1070480980.db2.gz XGZPNNGWOIGAAL-MRXNPFEDSA-N 1 0 402.561 -0.588 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000507412131 1070481606 /nfs/dbraw/zinc/48/16/06/1070481606.db2.gz CVFOOGLXMRYVIK-KBPBESRZSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000507412134 1070481665 /nfs/dbraw/zinc/48/16/65/1070481665.db2.gz CVFOOGLXMRYVIK-KGLIPLIRSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000507412137 1070481762 /nfs/dbraw/zinc/48/17/62/1070481762.db2.gz CVFOOGLXMRYVIK-UONOGXRCSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000507412141 1070481648 /nfs/dbraw/zinc/48/16/48/1070481648.db2.gz CVFOOGLXMRYVIK-ZIAGYGMSSA-N 1 0 414.528 -0.018 20 0 HBADRO COc1ccc(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1S(N)(=O)=O ZINC000507416065 1070482771 /nfs/dbraw/zinc/48/27/71/1070482771.db2.gz SACGWVMKMISRNF-AWEZNQCLSA-N 1 0 400.501 -0.143 20 0 HBADRO COc1ccc(CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1S(N)(=O)=O ZINC000507416066 1070483385 /nfs/dbraw/zinc/48/33/85/1070483385.db2.gz SACGWVMKMISRNF-CQSZACIVSA-N 1 0 400.501 -0.143 20 0 HBADRO COc1ccc(CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000507416415 1070483478 /nfs/dbraw/zinc/48/34/78/1070483478.db2.gz WQUTUYSRUBNTQV-AWEZNQCLSA-N 1 0 413.544 -0.180 20 0 HBADRO COc1ccc(CCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000507416417 1070483286 /nfs/dbraw/zinc/48/32/86/1070483286.db2.gz WQUTUYSRUBNTQV-CQSZACIVSA-N 1 0 413.544 -0.180 20 0 HBADRO Cn1c(C[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC2CCCC2)cc(=O)n(C)c1=O ZINC000507429652 1070487857 /nfs/dbraw/zinc/48/78/57/1070487857.db2.gz PREAFUFPVOYDAA-UHFFFAOYSA-N 1 0 403.483 -0.326 20 0 HBADRO COc1ccc(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1S(N)(=O)=O ZINC000507429994 1070487732 /nfs/dbraw/zinc/48/77/32/1070487732.db2.gz PQMIGMJHSDNPIN-UHFFFAOYSA-N 1 0 414.528 -0.017 20 0 HBADRO COc1ccc(CCNC(=O)NCC[N@@H+]2CCCOCC2)cc1S(N)(=O)=O ZINC000507437805 1070488479 /nfs/dbraw/zinc/48/84/79/1070488479.db2.gz VRTTYADYBCAPKA-UHFFFAOYSA-N 1 0 400.501 -0.093 20 0 HBADRO CC(C)CCC[NH+](Cc1cc(=O)n(C)c(=O)n1C)Cc1cc(=O)n(C)c(=O)n1C ZINC000507442906 1070489294 /nfs/dbraw/zinc/48/92/94/1070489294.db2.gz PHHBRGXQTWGTKX-UHFFFAOYSA-N 1 0 405.499 -0.080 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000507450666 1070490915 /nfs/dbraw/zinc/49/09/15/1070490915.db2.gz QLIYCLRAJSHDJX-AWEZNQCLSA-N 1 0 400.501 -0.095 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000507450667 1070491040 /nfs/dbraw/zinc/49/10/40/1070491040.db2.gz QLIYCLRAJSHDJX-CQSZACIVSA-N 1 0 400.501 -0.095 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000507492830 1070497382 /nfs/dbraw/zinc/49/73/82/1070497382.db2.gz QKTIKBZRZFQPOF-RDGPPVDQSA-N 1 0 400.564 -0.385 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000507492831 1070497311 /nfs/dbraw/zinc/49/73/11/1070497311.db2.gz QKTIKBZRZFQPOF-VJANTYMQSA-N 1 0 400.564 -0.385 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000507492832 1070497361 /nfs/dbraw/zinc/49/73/61/1070497361.db2.gz QKTIKBZRZFQPOF-YRXWBPOGSA-N 1 0 400.564 -0.385 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000507492833 1070497431 /nfs/dbraw/zinc/49/74/31/1070497431.db2.gz QKTIKBZRZFQPOF-ZSYWTGECSA-N 1 0 400.564 -0.385 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000507492846 1070498163 /nfs/dbraw/zinc/49/81/63/1070498163.db2.gz QRSDGOGUQQDETA-UHFFFAOYSA-N 1 0 407.500 -0.163 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000507500953 1070498150 /nfs/dbraw/zinc/49/81/50/1070498150.db2.gz LIAJOAPTGOXDMO-UHFFFAOYSA-N 1 0 407.500 -0.163 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000507508181 1070499857 /nfs/dbraw/zinc/49/98/57/1070499857.db2.gz IOCATRQBYLFACE-UHFFFAOYSA-N 1 0 404.533 -0.398 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC1 ZINC000507511494 1070499631 /nfs/dbraw/zinc/49/96/31/1070499631.db2.gz YVPHBPZBJUJQPO-UHFFFAOYSA-N 1 0 412.512 -0.031 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000507536048 1070500253 /nfs/dbraw/zinc/50/02/53/1070500253.db2.gz QKPRSTCBMBJJLF-UHFFFAOYSA-N 1 0 418.560 -0.008 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000507538929 1070502539 /nfs/dbraw/zinc/50/25/39/1070502539.db2.gz XEPJJNZZZBCDQO-UHFFFAOYSA-N 1 0 418.541 -0.491 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000507538942 1070502507 /nfs/dbraw/zinc/50/25/07/1070502507.db2.gz XHCMNAXFYSVANB-UHFFFAOYSA-N 1 0 423.495 -0.609 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507539358 1070500471 /nfs/dbraw/zinc/50/04/71/1070500471.db2.gz UDLYWFIKHWHXAO-HNNXBMFYSA-N 1 0 404.533 -0.255 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000507539360 1070500504 /nfs/dbraw/zinc/50/05/04/1070500504.db2.gz UDLYWFIKHWHXAO-OAHLLOKOSA-N 1 0 404.533 -0.255 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)S(N)(=O)=O ZINC000507567790 1070503906 /nfs/dbraw/zinc/50/39/06/1070503906.db2.gz MNXQPWYSJLUTCB-BEFAXECRSA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)S(N)(=O)=O ZINC000507567794 1070503865 /nfs/dbraw/zinc/50/38/65/1070503865.db2.gz MNXQPWYSJLUTCB-DNVCBOLYSA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)S(N)(=O)=O ZINC000507567799 1070504311 /nfs/dbraw/zinc/50/43/11/1070504311.db2.gz MNXQPWYSJLUTCB-HNAYVOBHSA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)S(N)(=O)=O ZINC000507567804 1070504503 /nfs/dbraw/zinc/50/45/03/1070504503.db2.gz MNXQPWYSJLUTCB-KXBFYZLASA-N 1 0 408.524 -0.096 20 0 HBADRO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000507612016 1070511370 /nfs/dbraw/zinc/51/13/70/1070511370.db2.gz WGPZGSHMDWYXAX-GFCCVEGCSA-N 1 0 416.500 -0.135 20 0 HBADRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000507612017 1070512374 /nfs/dbraw/zinc/51/23/74/1070512374.db2.gz WGPZGSHMDWYXAX-LBPRGKRZSA-N 1 0 416.500 -0.135 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000507626800 1070514196 /nfs/dbraw/zinc/51/41/96/1070514196.db2.gz BBMHZKGKRXKUSD-IAGOWNOFSA-N 1 0 406.483 -0.006 20 0 HBADRO CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[C@@H]1COC[C@H]1O ZINC000507627046 1070514237 /nfs/dbraw/zinc/51/42/37/1070514237.db2.gz BLFHFMPQPZLAFR-IAGOWNOFSA-N 1 0 404.467 -0.379 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000507629028 1069544404 /nfs/dbraw/zinc/54/44/04/1069544404.db2.gz ZFOPFHVIZNPVRS-CVEARBPZSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000507629037 1069561440 /nfs/dbraw/zinc/56/14/40/1069561440.db2.gz ZFOPFHVIZNPVRS-HOTGVXAUSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000507629040 1070515007 /nfs/dbraw/zinc/51/50/07/1070515007.db2.gz ZFOPFHVIZNPVRS-HZPDHXFCSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000507629044 1069560337 /nfs/dbraw/zinc/56/03/37/1069560337.db2.gz ZFOPFHVIZNPVRS-JKSUJKDBSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000507639936 1070513753 /nfs/dbraw/zinc/51/37/53/1070513753.db2.gz GXEJUVSXMHGAJY-BBRMVZONSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000507639939 1070513589 /nfs/dbraw/zinc/51/35/89/1070513589.db2.gz GXEJUVSXMHGAJY-CJNGLKHVSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000507639940 1070513710 /nfs/dbraw/zinc/51/37/10/1070513710.db2.gz GXEJUVSXMHGAJY-CZUORRHYSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000507639941 1070513743 /nfs/dbraw/zinc/51/37/43/1070513743.db2.gz GXEJUVSXMHGAJY-XJKSGUPXSA-N 1 0 401.467 -0.075 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)c1 ZINC000507640731 1070517022 /nfs/dbraw/zinc/51/70/22/1070517022.db2.gz MCHUETDEZGAGHX-IAGOWNOFSA-N 1 0 406.483 -0.085 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000507640933 1069545588 /nfs/dbraw/zinc/54/55/88/1069545588.db2.gz NRCKEKPAOPRSIV-KBPBESRZSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000507640934 1069546023 /nfs/dbraw/zinc/54/60/23/1069546023.db2.gz NRCKEKPAOPRSIV-KGLIPLIRSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000507640935 1070517151 /nfs/dbraw/zinc/51/71/51/1070517151.db2.gz NRCKEKPAOPRSIV-UONOGXRCSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000507640936 1070517056 /nfs/dbraw/zinc/51/70/56/1070517056.db2.gz NRCKEKPAOPRSIV-ZIAGYGMSSA-N 1 0 414.532 -0.393 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000507646155 1070517074 /nfs/dbraw/zinc/51/70/74/1070517074.db2.gz KCRBFZYKKFWAAO-GXTWGEPZSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000507646162 1070516982 /nfs/dbraw/zinc/51/69/82/1070516982.db2.gz KCRBFZYKKFWAAO-JSGCOSHPSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000507646164 1070517140 /nfs/dbraw/zinc/51/71/40/1070517140.db2.gz KCRBFZYKKFWAAO-OCCSQVGLSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000507646166 1070516935 /nfs/dbraw/zinc/51/69/35/1070516935.db2.gz KCRBFZYKKFWAAO-TZMCWYRMSA-N 1 0 414.466 -0.344 20 0 HBADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)CC1)N1CCOCC1 ZINC000507649506 1069429150 /nfs/dbraw/zinc/42/91/50/1069429150.db2.gz TWCFENWOFYENIL-UHFFFAOYSA-N 1 0 404.515 -0.408 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cn1 ZINC000507657514 1070518821 /nfs/dbraw/zinc/51/88/21/1070518821.db2.gz UHLPTVBEDVTDBY-GDBMZVCRSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cn1 ZINC000507657517 1070518703 /nfs/dbraw/zinc/51/87/03/1070518703.db2.gz UHLPTVBEDVTDBY-GOEBONIOSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cn1 ZINC000507657519 1070518856 /nfs/dbraw/zinc/51/88/56/1070518856.db2.gz UHLPTVBEDVTDBY-HOCLYGCPSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cn1 ZINC000507657521 1070518843 /nfs/dbraw/zinc/51/88/43/1070518843.db2.gz UHLPTVBEDVTDBY-ZBFHGGJFSA-N 1 0 406.487 -0.331 20 0 HBADRO Cn1nccc1C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000507670164 1069429083 /nfs/dbraw/zinc/42/90/83/1069429083.db2.gz ZLMSNMYAAWJJLR-UHFFFAOYSA-N 1 0 418.542 -0.398 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000507672867 1070518118 /nfs/dbraw/zinc/51/81/18/1070518118.db2.gz CIWXRRMRBRYIQJ-DOTOQJQBSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000507672872 1070518237 /nfs/dbraw/zinc/51/82/37/1070518237.db2.gz CIWXRRMRBRYIQJ-NVXWUHKLSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000507672874 1070518092 /nfs/dbraw/zinc/51/80/92/1070518092.db2.gz CIWXRRMRBRYIQJ-RDJZCZTQSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000507672876 1070518461 /nfs/dbraw/zinc/51/84/61/1070518461.db2.gz CIWXRRMRBRYIQJ-WBVHZDCISA-N 1 0 418.498 -0.234 20 0 HBADRO Cn1cc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)cn1 ZINC000507674650 1070481851 /nfs/dbraw/zinc/48/18/51/1070481851.db2.gz JBCWYCVKGPOGSE-UHFFFAOYSA-N 1 0 418.542 -0.398 20 0 HBADRO CN(C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@@H]1COC[C@H]1O ZINC000507675090 1070519796 /nfs/dbraw/zinc/51/97/96/1070519796.db2.gz JLPRGHBNYPATGC-QZTJIDSGSA-N 1 0 406.483 -0.531 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(c3ccnn3CCO)CC2)CC1 ZINC000507678237 1070520688 /nfs/dbraw/zinc/52/06/88/1070520688.db2.gz RRNVBSCSHTXSEW-UHFFFAOYSA-N 1 0 406.531 -0.713 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000507683474 1070521116 /nfs/dbraw/zinc/52/11/16/1070521116.db2.gz KLVHQGNVZAFRPH-UHFFFAOYSA-N 1 0 403.531 -0.389 20 0 HBADRO CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1COC[C@H]1O ZINC000507685825 1070519504 /nfs/dbraw/zinc/51/95/04/1070519504.db2.gz VXTZYHZUNRTNIK-IAGOWNOFSA-N 1 0 404.467 -0.460 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000507690604 1070522671 /nfs/dbraw/zinc/52/26/71/1070522671.db2.gz XLRKXZFVBPHRLS-UHFFFAOYSA-N 1 0 419.530 -0.690 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000507720271 1070524911 /nfs/dbraw/zinc/52/49/11/1070524911.db2.gz VVXWWRXOBJTYHN-UHFFFAOYSA-N 1 0 411.528 -0.242 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000507720343 1070524888 /nfs/dbraw/zinc/52/48/88/1070524888.db2.gz WFIGQVOJOXUYMJ-UHFFFAOYSA-N 1 0 411.528 -0.242 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000507733093 1070568032 /nfs/dbraw/zinc/56/80/32/1070568032.db2.gz PNEMXEBCURMBKZ-INIZCTEOSA-N 1 0 402.561 -0.492 20 0 HBADRO CCN(C(=O)CN1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000507733095 1070567756 /nfs/dbraw/zinc/56/77/56/1070567756.db2.gz PNEMXEBCURMBKZ-MRXNPFEDSA-N 1 0 402.561 -0.492 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000507746310 1070632810 /nfs/dbraw/zinc/63/28/10/1070632810.db2.gz DUDWQEDMKQMMIR-GOSISDBHSA-N 1 0 417.558 0.000 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000507746314 1070633067 /nfs/dbraw/zinc/63/30/67/1070633067.db2.gz DUDWQEDMKQMMIR-SFHVURJKSA-N 1 0 417.558 0.000 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000507749353 1070641267 /nfs/dbraw/zinc/64/12/67/1070641267.db2.gz QQHULCATKUCEQL-KRWDZBQOSA-N 1 0 409.575 -0.112 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000507749356 1070641279 /nfs/dbraw/zinc/64/12/79/1070641279.db2.gz QQHULCATKUCEQL-QGZVFWFLSA-N 1 0 409.575 -0.112 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000507756979 1070654277 /nfs/dbraw/zinc/65/42/77/1070654277.db2.gz IENHEORUYWTDFY-CVEARBPZSA-N 1 0 402.561 -0.494 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000507756985 1070654469 /nfs/dbraw/zinc/65/44/69/1070654469.db2.gz IENHEORUYWTDFY-HOTGVXAUSA-N 1 0 402.561 -0.494 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000507756988 1070654462 /nfs/dbraw/zinc/65/44/62/1070654462.db2.gz IENHEORUYWTDFY-HZPDHXFCSA-N 1 0 402.561 -0.494 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000507756991 1070654449 /nfs/dbraw/zinc/65/44/49/1070654449.db2.gz IENHEORUYWTDFY-JKSUJKDBSA-N 1 0 402.561 -0.494 20 0 HBADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000507761138 1070658645 /nfs/dbraw/zinc/65/86/45/1070658645.db2.gz CYGUOGNFLJAOQO-UHFFFAOYSA-N 1 0 416.482 -0.095 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507761734 1070657764 /nfs/dbraw/zinc/65/77/64/1070657764.db2.gz GAHCCUANYLPIFJ-GOSISDBHSA-N 1 0 401.511 -0.391 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507761737 1070657835 /nfs/dbraw/zinc/65/78/35/1070657835.db2.gz GAHCCUANYLPIFJ-SFHVURJKSA-N 1 0 401.511 -0.391 20 0 HBADRO CC(C)(O)C[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000507766514 1070661663 /nfs/dbraw/zinc/66/16/63/1070661663.db2.gz NADCNVRUPNMNAH-UHFFFAOYSA-N 1 0 412.556 -0.229 20 0 HBADRO Cn1c2ncn(CC[NH+]3CCC(c4ccnn4CCO)CC3)c2c(=O)n(C)c1=O ZINC000507883461 1070726603 /nfs/dbraw/zinc/72/66/03/1070726603.db2.gz ZSSRKAYCEPIDNS-UHFFFAOYSA-N 1 0 401.471 -0.498 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507916918 1070733017 /nfs/dbraw/zinc/73/30/17/1070733017.db2.gz GAMRPEFGNLAIEB-CCNLRDMRSA-N 1 0 405.543 -0.071 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507916920 1070732950 /nfs/dbraw/zinc/73/29/50/1070732950.db2.gz GAMRPEFGNLAIEB-MIGBEJBISA-N 1 0 405.543 -0.071 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCC(C[NH+]3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000507917448 1070732426 /nfs/dbraw/zinc/73/24/26/1070732426.db2.gz AAUZWJWRKAHHMR-UHFFFAOYSA-N 1 0 409.487 -0.596 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000507936268 1070734693 /nfs/dbraw/zinc/73/46/93/1070734693.db2.gz FZGGXJXTWXONHU-MQVJKMGUSA-N 1 0 420.514 -0.008 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)c(=O)n2C ZINC000507938620 1070735096 /nfs/dbraw/zinc/73/50/96/1070735096.db2.gz OPPBGCJKCIYLJM-HNNXBMFYSA-N 1 0 418.498 -0.463 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)c(=O)n2C ZINC000507938624 1070735039 /nfs/dbraw/zinc/73/50/39/1070735039.db2.gz OPPBGCJKCIYLJM-OAHLLOKOSA-N 1 0 418.498 -0.463 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000507973108 1070742461 /nfs/dbraw/zinc/74/24/61/1070742461.db2.gz AGSXAVRXUGUEFY-KRWDZBQOSA-N 1 0 418.560 -0.065 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000507973110 1070742559 /nfs/dbraw/zinc/74/25/59/1070742559.db2.gz AGSXAVRXUGUEFY-QGZVFWFLSA-N 1 0 418.560 -0.065 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000507974336 1070742542 /nfs/dbraw/zinc/74/25/42/1070742542.db2.gz XPRZTQMESYQQMS-INIZCTEOSA-N 1 0 406.549 -0.209 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000507974337 1070742410 /nfs/dbraw/zinc/74/24/10/1070742410.db2.gz XPRZTQMESYQQMS-MRXNPFEDSA-N 1 0 406.549 -0.209 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCc3cccc(C(=O)NC)c3)C2)CC1 ZINC000508035569 1070749994 /nfs/dbraw/zinc/74/99/94/1070749994.db2.gz OSUDKIKMFDVDOE-IBGZPJMESA-N 1 0 415.538 -0.057 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCc3cccc(C(=O)NC)c3)C2)CC1 ZINC000508035570 1070749963 /nfs/dbraw/zinc/74/99/63/1070749963.db2.gz OSUDKIKMFDVDOE-LJQANCHMSA-N 1 0 415.538 -0.057 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000508131796 1070758178 /nfs/dbraw/zinc/75/81/78/1070758178.db2.gz CDMIAPVGVDHBNF-KRWDZBQOSA-N 1 0 418.560 -0.067 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000508131799 1070758276 /nfs/dbraw/zinc/75/82/76/1070758276.db2.gz CDMIAPVGVDHBNF-QGZVFWFLSA-N 1 0 418.560 -0.067 20 0 HBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508194676 1070767197 /nfs/dbraw/zinc/76/71/97/1070767197.db2.gz OUEWKVYFIAAMPK-BBWFWOEESA-N 1 0 401.577 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508194681 1070767158 /nfs/dbraw/zinc/76/71/58/1070767158.db2.gz OUEWKVYFIAAMPK-BRWVUGGUSA-N 1 0 401.577 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508194688 1070767311 /nfs/dbraw/zinc/76/73/11/1070767311.db2.gz OUEWKVYFIAAMPK-IXDOHACOSA-N 1 0 401.577 -0.116 20 0 HBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508194694 1070767408 /nfs/dbraw/zinc/76/74/08/1070767408.db2.gz OUEWKVYFIAAMPK-ZACQAIPSSA-N 1 0 401.577 -0.116 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1(C)C ZINC000508301403 1070778715 /nfs/dbraw/zinc/77/87/15/1070778715.db2.gz QYPITBVCGVZESX-UHFFFAOYSA-N 1 0 413.544 -0.209 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1C ZINC000508317313 1070780682 /nfs/dbraw/zinc/78/06/82/1070780682.db2.gz OLBCXRUCNKZNLE-UHFFFAOYSA-N 1 0 400.549 -0.461 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508320665 1070780395 /nfs/dbraw/zinc/78/03/95/1070780395.db2.gz VMORRUKVAAEZTH-AWEZNQCLSA-N 1 0 414.576 -0.154 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508320666 1070780488 /nfs/dbraw/zinc/78/04/88/1070780488.db2.gz VMORRUKVAAEZTH-CQSZACIVSA-N 1 0 414.576 -0.154 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000508330245 1070779830 /nfs/dbraw/zinc/77/98/30/1070779830.db2.gz GZSZVFDZHYZEGM-UHFFFAOYSA-N 1 0 407.471 -0.295 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1(C)C ZINC000508333277 1070781236 /nfs/dbraw/zinc/78/12/36/1070781236.db2.gz WEXBHFLWQBZNFX-UHFFFAOYSA-N 1 0 402.293 -0.146 20 0 HBADRO CCOC1CC2(C1)CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000508350675 1070783195 /nfs/dbraw/zinc/78/31/95/1070783195.db2.gz SFLIXARPAUIOGK-UHFFFAOYSA-N 1 0 420.514 -0.083 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508407594 1070947637 /nfs/dbraw/zinc/94/76/37/1070947637.db2.gz RIWYBDRCMHQIBM-INIZCTEOSA-N 1 0 406.549 -0.209 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508407595 1070947572 /nfs/dbraw/zinc/94/75/72/1070947572.db2.gz RIWYBDRCMHQIBM-MRXNPFEDSA-N 1 0 406.549 -0.209 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C)CC1 ZINC000508431871 1071105864 /nfs/dbraw/zinc/10/58/64/1071105864.db2.gz DEZPXRJDKGSSSD-CYBMUJFWSA-N 1 0 401.537 -0.584 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C)CC1 ZINC000508431872 1071105983 /nfs/dbraw/zinc/10/59/83/1071105983.db2.gz DEZPXRJDKGSSSD-ZDUSSCGKSA-N 1 0 401.537 -0.584 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000508468031 1071230526 /nfs/dbraw/zinc/23/05/26/1071230526.db2.gz OSOCEFRJJGVJNR-CVEARBPZSA-N 1 0 404.533 -0.457 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000508468032 1071230502 /nfs/dbraw/zinc/23/05/02/1071230502.db2.gz OSOCEFRJJGVJNR-HOTGVXAUSA-N 1 0 404.533 -0.457 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000508468033 1071230424 /nfs/dbraw/zinc/23/04/24/1071230424.db2.gz OSOCEFRJJGVJNR-HZPDHXFCSA-N 1 0 404.533 -0.457 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000508468034 1071230409 /nfs/dbraw/zinc/23/04/09/1071230409.db2.gz OSOCEFRJJGVJNR-JKSUJKDBSA-N 1 0 404.533 -0.457 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508480112 1071294090 /nfs/dbraw/zinc/29/40/90/1071294090.db2.gz ZHPJXUSZHMOZRS-DLBZAZTESA-N 1 0 418.560 -0.067 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508480113 1071293727 /nfs/dbraw/zinc/29/37/27/1071293727.db2.gz ZHPJXUSZHMOZRS-IAGOWNOFSA-N 1 0 418.560 -0.067 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508480115 1071294047 /nfs/dbraw/zinc/29/40/47/1071294047.db2.gz ZHPJXUSZHMOZRS-IRXDYDNUSA-N 1 0 418.560 -0.067 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508480116 1071293893 /nfs/dbraw/zinc/29/38/93/1071293893.db2.gz ZHPJXUSZHMOZRS-SJORKVTESA-N 1 0 418.560 -0.067 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000508500305 1071331688 /nfs/dbraw/zinc/33/16/88/1071331688.db2.gz IPTGVMLVYQZXPN-GOSISDBHSA-N 1 0 423.558 -0.820 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000508500306 1071331854 /nfs/dbraw/zinc/33/18/54/1071331854.db2.gz IPTGVMLVYQZXPN-SFHVURJKSA-N 1 0 423.558 -0.820 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000508504988 1069671557 /nfs/dbraw/zinc/67/15/57/1069671557.db2.gz UIFDROKZLALDCO-UHFFFAOYSA-N 1 0 402.503 -0.122 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508509433 1071355165 /nfs/dbraw/zinc/35/51/65/1071355165.db2.gz ISNMCMYVCWZTHD-CVEARBPZSA-N 1 0 403.549 -0.932 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508509437 1071355316 /nfs/dbraw/zinc/35/53/16/1071355316.db2.gz ISNMCMYVCWZTHD-HOTGVXAUSA-N 1 0 403.549 -0.932 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508509440 1071355359 /nfs/dbraw/zinc/35/53/59/1071355359.db2.gz ISNMCMYVCWZTHD-HZPDHXFCSA-N 1 0 403.549 -0.932 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508509442 1071354992 /nfs/dbraw/zinc/35/49/92/1071354992.db2.gz ISNMCMYVCWZTHD-JKSUJKDBSA-N 1 0 403.549 -0.932 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508512030 1071358642 /nfs/dbraw/zinc/35/86/42/1071358642.db2.gz YLDUSCPNQGZFTN-DLBZAZTESA-N 1 0 417.576 -0.542 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508512033 1071358818 /nfs/dbraw/zinc/35/88/18/1071358818.db2.gz YLDUSCPNQGZFTN-IAGOWNOFSA-N 1 0 417.576 -0.542 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508512035 1071359025 /nfs/dbraw/zinc/35/90/25/1071359025.db2.gz YLDUSCPNQGZFTN-IRXDYDNUSA-N 1 0 417.576 -0.542 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000508512037 1071358572 /nfs/dbraw/zinc/35/85/72/1071358572.db2.gz YLDUSCPNQGZFTN-SJORKVTESA-N 1 0 417.576 -0.542 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000508605026 1068992591 /nfs/dbraw/zinc/99/25/91/1068992591.db2.gz QVVMGVXDFCDGRY-UHFFFAOYSA-N 1 0 409.556 -0.002 20 0 HBADRO CC[NH+]1CCN(CCC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000508605773 1069023033 /nfs/dbraw/zinc/02/30/33/1069023033.db2.gz UPWZLCMWQAKTNA-UHFFFAOYSA-N 1 0 401.511 -0.098 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508662888 1069201408 /nfs/dbraw/zinc/20/14/08/1069201408.db2.gz LJCPONSUHFYKDE-CVEARBPZSA-N 1 0 417.576 -0.100 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508662891 1069201424 /nfs/dbraw/zinc/20/14/24/1069201424.db2.gz LJCPONSUHFYKDE-HOTGVXAUSA-N 1 0 417.576 -0.100 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508662894 1069201374 /nfs/dbraw/zinc/20/13/74/1069201374.db2.gz LJCPONSUHFYKDE-HZPDHXFCSA-N 1 0 417.576 -0.100 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508662896 1069201390 /nfs/dbraw/zinc/20/13/90/1069201390.db2.gz LJCPONSUHFYKDE-JKSUJKDBSA-N 1 0 417.576 -0.100 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508665243 1069214022 /nfs/dbraw/zinc/21/40/22/1069214022.db2.gz ODVDHRYOMOPDEE-ARFHVFGLSA-N 1 0 415.560 -0.348 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508665246 1069213637 /nfs/dbraw/zinc/21/36/37/1069213637.db2.gz ODVDHRYOMOPDEE-BZUAXINKSA-N 1 0 415.560 -0.348 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000508665248 1069213816 /nfs/dbraw/zinc/21/38/16/1069213816.db2.gz ODVDHRYOMOPDEE-HRCADAONSA-N 1 0 415.560 -0.348 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000508665251 1069213730 /nfs/dbraw/zinc/21/37/30/1069213730.db2.gz ODVDHRYOMOPDEE-OWCLPIDISA-N 1 0 415.560 -0.348 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC000508670165 1069273013 /nfs/dbraw/zinc/27/30/13/1069273013.db2.gz LITXEXKVOCAZCI-GFCCVEGCSA-N 1 0 406.409 -0.238 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC000508670166 1069272934 /nfs/dbraw/zinc/27/29/34/1069272934.db2.gz LITXEXKVOCAZCI-LBPRGKRZSA-N 1 0 406.409 -0.238 20 0 HBADRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)NCC[NH+]1CCCCC1 ZINC000508705491 1069315549 /nfs/dbraw/zinc/31/55/49/1069315549.db2.gz DJVAUDJNOWVEDF-OAHLLOKOSA-N 1 0 411.528 -0.191 20 0 HBADRO Cc1nccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000508716539 1069317197 /nfs/dbraw/zinc/31/71/97/1069317197.db2.gz ZALBHWWCCLZVFY-KRWDZBQOSA-N 1 0 404.515 -0.147 20 0 HBADRO Cc1nccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000508716541 1069317539 /nfs/dbraw/zinc/31/75/39/1069317539.db2.gz ZALBHWWCCLZVFY-QGZVFWFLSA-N 1 0 404.515 -0.147 20 0 HBADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000508721604 1069318239 /nfs/dbraw/zinc/31/82/39/1069318239.db2.gz QGEBLCAJLHLQHW-INIZCTEOSA-N 1 0 404.515 -0.080 20 0 HBADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000508721605 1069318026 /nfs/dbraw/zinc/31/80/26/1069318026.db2.gz QGEBLCAJLHLQHW-MRXNPFEDSA-N 1 0 404.515 -0.080 20 0 HBADRO Cc1nccn1CCCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000508723986 1069318606 /nfs/dbraw/zinc/31/86/06/1069318606.db2.gz ZOBJWGHVPBXLMS-UHFFFAOYSA-N 1 0 404.515 -0.145 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000508749277 1069321548 /nfs/dbraw/zinc/32/15/48/1069321548.db2.gz VEKVFBVTTCIFDO-GOSISDBHSA-N 1 0 410.540 -0.083 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000508749278 1069321276 /nfs/dbraw/zinc/32/12/76/1069321276.db2.gz VEKVFBVTTCIFDO-SFHVURJKSA-N 1 0 410.540 -0.083 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CS(=O)(=O)CCO3)cn2)CC1 ZINC000508797265 1069385614 /nfs/dbraw/zinc/38/56/14/1069385614.db2.gz WCZFTJJAHLDAFY-INIZCTEOSA-N 1 0 411.528 -0.164 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CS(=O)(=O)CCO3)cn2)CC1 ZINC000508797268 1069385632 /nfs/dbraw/zinc/38/56/32/1069385632.db2.gz WCZFTJJAHLDAFY-MRXNPFEDSA-N 1 0 411.528 -0.164 20 0 HBADRO CC(C)Cn1ccnc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000508819399 1069446064 /nfs/dbraw/zinc/44/60/64/1069446064.db2.gz LXXRDJLNWDWHFU-UHFFFAOYSA-N 1 0 404.515 -0.078 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cnc2n(C)c1=O ZINC000508820064 1069446008 /nfs/dbraw/zinc/44/60/08/1069446008.db2.gz AQNLTROYLWNASM-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000508838288 1071229742 /nfs/dbraw/zinc/22/97/42/1071229742.db2.gz KZPFTKNCJMNBBF-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000508936113 1069359802 /nfs/dbraw/zinc/35/98/02/1069359802.db2.gz XMBLJJVIKMRMKU-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000508985789 1071456119 /nfs/dbraw/zinc/45/61/19/1071456119.db2.gz HVHBAZUGSBKPDQ-INIZCTEOSA-N 1 0 406.487 -0.329 20 0 HBADRO O=S1(=O)C[C@H](N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)[C@H](O)C1 ZINC000508990330 1069375513 /nfs/dbraw/zinc/37/55/13/1069375513.db2.gz JTALUUCXWYSKAN-LEWJYISDSA-N 1 0 422.595 -0.026 20 0 HBADRO O=S1(=O)C[C@@H](O)[C@H](N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000508990331 1069375183 /nfs/dbraw/zinc/37/51/83/1069375183.db2.gz JTALUUCXWYSKAN-NHCUHLMSSA-N 1 0 422.595 -0.026 20 0 HBADRO O=S1(=O)C[C@H](O)[C@H](N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000508990332 1069375160 /nfs/dbraw/zinc/37/51/60/1069375160.db2.gz JTALUUCXWYSKAN-RTWAWAEBSA-N 1 0 422.595 -0.026 20 0 HBADRO O=S1(=O)C[C@H](O)[C@@H](N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000508990333 1069375373 /nfs/dbraw/zinc/37/53/73/1069375373.db2.gz JTALUUCXWYSKAN-SFTDATJTSA-N 1 0 422.595 -0.026 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cn2)CC1 ZINC000508991950 1069375295 /nfs/dbraw/zinc/37/52/95/1069375295.db2.gz TTXOMGUTZNQBIP-UHFFFAOYSA-N 1 0 407.500 -0.616 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000509005992 1069377471 /nfs/dbraw/zinc/37/74/71/1069377471.db2.gz WJRCEYJGXNOKRX-ZDUSSCGKSA-N 1 0 402.455 -0.439 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000509006610 1069376925 /nfs/dbraw/zinc/37/69/25/1069376925.db2.gz YXZMWXFEHSJGCB-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO CN(C)S(=O)(=O)CCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCS(=O)(=O)N(C)C ZINC000509024634 1069379508 /nfs/dbraw/zinc/37/95/08/1069379508.db2.gz XQPYJTDFIGXUGI-HOTGVXAUSA-N 1 0 412.622 -0.056 20 0 HBADRO CN(C)S(=O)(=O)CCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCS(=O)(=O)N(C)C ZINC000509024636 1069379214 /nfs/dbraw/zinc/37/92/14/1069379214.db2.gz XQPYJTDFIGXUGI-HZPDHXFCSA-N 1 0 412.622 -0.056 20 0 HBADRO CN(C)S(=O)(=O)CCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCS(=O)(=O)N(C)C ZINC000509024637 1069379369 /nfs/dbraw/zinc/37/93/69/1069379369.db2.gz XQPYJTDFIGXUGI-IYBDPMFKSA-N 1 0 412.622 -0.056 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000509081190 1069385421 /nfs/dbraw/zinc/38/54/21/1069385421.db2.gz GYGZMEIRSBHWRU-DLBZAZTESA-N 1 0 416.588 -0.104 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000509081191 1069385645 /nfs/dbraw/zinc/38/56/45/1069385645.db2.gz GYGZMEIRSBHWRU-IAGOWNOFSA-N 1 0 416.588 -0.104 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000509081192 1069385722 /nfs/dbraw/zinc/38/57/22/1069385722.db2.gz GYGZMEIRSBHWRU-IRXDYDNUSA-N 1 0 416.588 -0.104 20 0 HBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000509081193 1069385539 /nfs/dbraw/zinc/38/55/39/1069385539.db2.gz GYGZMEIRSBHWRU-SJORKVTESA-N 1 0 416.588 -0.104 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000509153333 1069401137 /nfs/dbraw/zinc/40/11/37/1069401137.db2.gz MKEZLRVAUSQUJM-AWEZNQCLSA-N 1 0 411.528 -0.794 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000509153338 1069401330 /nfs/dbraw/zinc/40/13/30/1069401330.db2.gz MKEZLRVAUSQUJM-CQSZACIVSA-N 1 0 411.528 -0.794 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000509183024 1069416923 /nfs/dbraw/zinc/41/69/23/1069416923.db2.gz JACUUCPOLFFUBN-CYBMUJFWSA-N 1 0 422.511 -0.455 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000509183025 1069416809 /nfs/dbraw/zinc/41/68/09/1069416809.db2.gz JACUUCPOLFFUBN-ZDUSSCGKSA-N 1 0 422.511 -0.455 20 0 HBADRO COCCN1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000509186296 1069419561 /nfs/dbraw/zinc/41/95/61/1069419561.db2.gz RFIVYGZIVPONIX-UHFFFAOYSA-N 1 0 419.530 -0.121 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000509221669 1069437750 /nfs/dbraw/zinc/43/77/50/1069437750.db2.gz BEJDPBXSRJSSPL-INIZCTEOSA-N 1 0 412.512 -0.409 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000509221670 1069438517 /nfs/dbraw/zinc/43/85/17/1069438517.db2.gz BEJDPBXSRJSSPL-MRXNPFEDSA-N 1 0 412.512 -0.409 20 0 HBADRO COCCN1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000509225707 1069445461 /nfs/dbraw/zinc/44/54/61/1069445461.db2.gz OODRIBMVWQEVQF-UHFFFAOYSA-N 1 0 405.499 -0.022 20 0 HBADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000509313549 1069586035 /nfs/dbraw/zinc/58/60/35/1069586035.db2.gz JLTFIDCTHUGKTF-UHFFFAOYSA-N 1 0 418.541 -0.124 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000509332124 1071463042 /nfs/dbraw/zinc/46/30/42/1071463042.db2.gz RJQCAZSBGRZWAG-UHFFFAOYSA-N 1 0 403.549 -0.394 20 0 HBADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000509385116 1069638706 /nfs/dbraw/zinc/63/87/06/1069638706.db2.gz HDBKQKWMMQSNTN-CABCVRRESA-N 1 0 412.537 -0.306 20 0 HBADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000509385120 1069638680 /nfs/dbraw/zinc/63/86/80/1069638680.db2.gz HDBKQKWMMQSNTN-GJZGRUSLSA-N 1 0 412.537 -0.306 20 0 HBADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000509385122 1069638631 /nfs/dbraw/zinc/63/86/31/1069638631.db2.gz HDBKQKWMMQSNTN-HUUCEWRRSA-N 1 0 412.537 -0.306 20 0 HBADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000509385124 1069638694 /nfs/dbraw/zinc/63/86/94/1069638694.db2.gz HDBKQKWMMQSNTN-LSDHHAIUSA-N 1 0 412.537 -0.306 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000509400342 1069648640 /nfs/dbraw/zinc/64/86/40/1069648640.db2.gz BIOJBFWPUWOPMF-UHFFFAOYSA-N 1 0 416.588 -0.085 20 0 HBADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(=O)n(C)c1=O ZINC000509400605 1069647968 /nfs/dbraw/zinc/64/79/68/1069647968.db2.gz FVCXVNSYORBUFT-UHFFFAOYSA-N 1 0 404.851 -0.055 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000509422059 1069663327 /nfs/dbraw/zinc/66/33/27/1069663327.db2.gz SBFIUACUURGQNV-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000509422060 1069663521 /nfs/dbraw/zinc/66/35/21/1069663521.db2.gz SBFIUACUURGQNV-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000509476480 1071827052 /nfs/dbraw/zinc/82/70/52/1071827052.db2.gz BEWGTQLIWPTAKD-AWEZNQCLSA-N 1 0 400.549 -0.543 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000509476490 1071827120 /nfs/dbraw/zinc/82/71/20/1071827120.db2.gz BEWGTQLIWPTAKD-CQSZACIVSA-N 1 0 400.549 -0.543 20 0 HBADRO CNc1nc(N[C@@H]2CC(=O)N3CCCC[C@H]23)nc(N[C@@H]2CC(=O)N3CCCC[C@H]23)[nH+]1 ZINC000509477506 1071827651 /nfs/dbraw/zinc/82/76/51/1071827651.db2.gz HDEQOWMSXPFFAS-KBUPBQIOSA-N 1 0 414.514 -0.690 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000509487219 1071833051 /nfs/dbraw/zinc/83/30/51/1071833051.db2.gz DHWLNPQGVOHIAK-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000509508311 1071860819 /nfs/dbraw/zinc/86/08/19/1071860819.db2.gz FKDSGXISMAICGL-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000509563525 1070195538 /nfs/dbraw/zinc/19/55/38/1070195538.db2.gz HYDKWBBZROQIGQ-UHFFFAOYSA-N 1 0 419.525 -0.113 20 0 HBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000509564266 1070196396 /nfs/dbraw/zinc/19/63/96/1070196396.db2.gz PXQNDLPPIFZGOD-UHFFFAOYSA-N 1 0 424.479 -0.230 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000509564490 1070196351 /nfs/dbraw/zinc/19/63/51/1070196351.db2.gz SMAVHWSJGFFIBO-UHFFFAOYSA-N 1 0 405.517 -0.019 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000509711511 1071225646 /nfs/dbraw/zinc/22/56/46/1071225646.db2.gz FSOHGBQRJMVREF-UHFFFAOYSA-N 1 0 412.516 -0.200 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000509712752 1071226420 /nfs/dbraw/zinc/22/64/20/1071226420.db2.gz IMOWHGYVPHQHDI-HNNXBMFYSA-N 1 0 404.533 -0.903 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000509712756 1071226468 /nfs/dbraw/zinc/22/64/68/1071226468.db2.gz IMOWHGYVPHQHDI-OAHLLOKOSA-N 1 0 404.533 -0.903 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000509716747 1071226271 /nfs/dbraw/zinc/22/62/71/1071226271.db2.gz RHFRQINALXPNBC-UHFFFAOYSA-N 1 0 418.502 -0.904 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000509720342 1071224688 /nfs/dbraw/zinc/22/46/88/1071224688.db2.gz JIUHDKPVZTZTEZ-UHFFFAOYSA-N 1 0 411.547 -0.917 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000509723257 1069344683 /nfs/dbraw/zinc/34/46/83/1069344683.db2.gz WXJMGSBBGCHBBS-HNNXBMFYSA-N 1 0 418.502 -0.754 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000509723258 1069344780 /nfs/dbraw/zinc/34/47/80/1069344780.db2.gz WXJMGSBBGCHBBS-OAHLLOKOSA-N 1 0 418.502 -0.754 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000509727407 1069151868 /nfs/dbraw/zinc/15/18/68/1069151868.db2.gz YVATXPIHKHLATR-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000509727409 1069152479 /nfs/dbraw/zinc/15/24/79/1069152479.db2.gz YVATXPIHKHLATR-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000509733354 1069283892 /nfs/dbraw/zinc/28/38/92/1069283892.db2.gz AXIVRWGLZJQREI-UHFFFAOYSA-N 1 0 411.547 -0.772 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000509747488 1069327099 /nfs/dbraw/zinc/32/70/99/1069327099.db2.gz WJXTZVMYKOWUCH-HNNXBMFYSA-N 1 0 410.544 -0.086 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000509747493 1069327735 /nfs/dbraw/zinc/32/77/35/1069327735.db2.gz WJXTZVMYKOWUCH-OAHLLOKOSA-N 1 0 410.544 -0.086 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000509754193 1069336873 /nfs/dbraw/zinc/33/68/73/1069336873.db2.gz FGBRMCFQNOSODM-HNNXBMFYSA-N 1 0 405.499 -0.247 20 0 HBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000509754226 1069336988 /nfs/dbraw/zinc/33/69/88/1069336988.db2.gz FSNIVDXYTYEYFU-BBRMVZONSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000509754227 1069337112 /nfs/dbraw/zinc/33/71/12/1069337112.db2.gz FSNIVDXYTYEYFU-CJNGLKHVSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000509754228 1069336911 /nfs/dbraw/zinc/33/69/11/1069336911.db2.gz FSNIVDXYTYEYFU-CZUORRHYSA-N 1 0 401.467 -0.075 20 0 HBADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000509754229 1069337056 /nfs/dbraw/zinc/33/70/56/1069337056.db2.gz FSNIVDXYTYEYFU-XJKSGUPXSA-N 1 0 401.467 -0.075 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1OC ZINC000509754664 1069337447 /nfs/dbraw/zinc/33/74/47/1069337447.db2.gz GSEBQVCWQRTDMC-LBPRGKRZSA-N 1 0 416.500 -0.375 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cn1 ZINC000509759196 1069339814 /nfs/dbraw/zinc/33/98/14/1069339814.db2.gz NWRZMTUWLXLIQM-GDBMZVCRSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cn1 ZINC000509759198 1069339773 /nfs/dbraw/zinc/33/97/73/1069339773.db2.gz NWRZMTUWLXLIQM-GOEBONIOSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cn1 ZINC000509759200 1069339994 /nfs/dbraw/zinc/33/99/94/1069339994.db2.gz NWRZMTUWLXLIQM-HOCLYGCPSA-N 1 0 406.487 -0.331 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cn1 ZINC000509759201 1069339867 /nfs/dbraw/zinc/33/98/67/1069339867.db2.gz NWRZMTUWLXLIQM-ZBFHGGJFSA-N 1 0 406.487 -0.331 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000509767851 1069387622 /nfs/dbraw/zinc/38/76/22/1069387622.db2.gz QUCNTWLHKCELJH-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000509770942 1069388159 /nfs/dbraw/zinc/38/81/59/1069388159.db2.gz LTPAEDLFNVLHPC-LBPRGKRZSA-N 1 0 416.475 -0.149 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000509776873 1069405601 /nfs/dbraw/zinc/40/56/01/1069405601.db2.gz NDDXVMFUKQTLBG-INIZCTEOSA-N 1 0 410.544 -0.086 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000509776874 1069405683 /nfs/dbraw/zinc/40/56/83/1069405683.db2.gz NDDXVMFUKQTLBG-MRXNPFEDSA-N 1 0 410.544 -0.086 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000509776974 1069405638 /nfs/dbraw/zinc/40/56/38/1069405638.db2.gz PILOYWIFDMQXCC-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO CCN(CCCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)S(C)(=O)=O ZINC000509779383 1069411966 /nfs/dbraw/zinc/41/19/66/1069411966.db2.gz ALXPLIQGSUBVAH-UHFFFAOYSA-N 1 0 405.565 -0.146 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 ZINC000509781123 1069412589 /nfs/dbraw/zinc/41/25/89/1069412589.db2.gz KSHRRRYARZQXMR-INIZCTEOSA-N 1 0 410.544 -0.086 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 ZINC000509781125 1069412447 /nfs/dbraw/zinc/41/24/47/1069412447.db2.gz KSHRRRYARZQXMR-MRXNPFEDSA-N 1 0 410.544 -0.086 20 0 HBADRO COCC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000509785079 1069412352 /nfs/dbraw/zinc/41/23/52/1069412352.db2.gz DNPZAHYRIXWCEY-UHFFFAOYSA-N 1 0 401.485 -0.227 20 0 HBADRO CC[NH+]1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000509786334 1069414142 /nfs/dbraw/zinc/41/41/42/1069414142.db2.gz KWLFXBOMXHLXHN-UHFFFAOYSA-N 1 0 410.540 -0.039 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000509792610 1069413324 /nfs/dbraw/zinc/41/33/24/1069413324.db2.gz MTECRBHSGXTMNE-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000509796071 1069416110 /nfs/dbraw/zinc/41/61/10/1069416110.db2.gz YQGHZJFBNCKUSL-ZDUSSCGKSA-N 1 0 412.512 -0.065 20 0 HBADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000509798107 1069423078 /nfs/dbraw/zinc/42/30/78/1069423078.db2.gz ZSUMLWYCDWTNAP-DOTOQJQBSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000509798108 1069423120 /nfs/dbraw/zinc/42/31/20/1069423120.db2.gz ZSUMLWYCDWTNAP-NVXWUHKLSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000509798109 1069423056 /nfs/dbraw/zinc/42/30/56/1069423056.db2.gz ZSUMLWYCDWTNAP-RDJZCZTQSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000509798110 1069423066 /nfs/dbraw/zinc/42/30/66/1069423066.db2.gz ZSUMLWYCDWTNAP-WBVHZDCISA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000509803594 1069423145 /nfs/dbraw/zinc/42/31/45/1069423145.db2.gz FOIRFVGSSBLFCG-WMLDXEAASA-N 1 0 404.467 -0.294 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000509803600 1069423109 /nfs/dbraw/zinc/42/31/09/1069423109.db2.gz FOIRFVGSSBLFCG-YOEHRIQHSA-N 1 0 404.467 -0.294 20 0 HBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000509807450 1069426773 /nfs/dbraw/zinc/42/67/73/1069426773.db2.gz IWHCFNUUCUKMOG-DOMZBBRYSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000509807456 1069426554 /nfs/dbraw/zinc/42/65/54/1069426554.db2.gz IWHCFNUUCUKMOG-IUODEOHRSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000509807459 1069426804 /nfs/dbraw/zinc/42/68/04/1069426804.db2.gz IWHCFNUUCUKMOG-SWLSCSKDSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000509807460 1069426759 /nfs/dbraw/zinc/42/67/59/1069426759.db2.gz IWHCFNUUCUKMOG-WFASDCNBSA-N 1 0 414.466 -0.344 20 0 HBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000509819267 1069429207 /nfs/dbraw/zinc/42/92/07/1069429207.db2.gz MQLVXZMTVVNILK-CVEARBPZSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000509819269 1069429190 /nfs/dbraw/zinc/42/91/90/1069429190.db2.gz MQLVXZMTVVNILK-HOTGVXAUSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000509819270 1069429175 /nfs/dbraw/zinc/42/91/75/1069429175.db2.gz MQLVXZMTVVNILK-HZPDHXFCSA-N 1 0 418.498 -0.234 20 0 HBADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000509819271 1069428980 /nfs/dbraw/zinc/42/89/80/1069428980.db2.gz MQLVXZMTVVNILK-JKSUJKDBSA-N 1 0 418.498 -0.234 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000509819327 1069429027 /nfs/dbraw/zinc/42/90/27/1069429027.db2.gz KJPZCJORZJOOEC-UHFFFAOYSA-N 1 0 405.565 -0.146 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000509823094 1069432686 /nfs/dbraw/zinc/43/26/86/1069432686.db2.gz ZYYWBVXHIJVGNC-UHFFFAOYSA-N 1 0 421.546 -0.033 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)n1 ZINC000509836488 1069433328 /nfs/dbraw/zinc/43/33/28/1069433328.db2.gz DPYPTFRNIAZAEW-UHFFFAOYSA-N 1 0 408.440 -0.361 20 0 HBADRO NC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000509869614 1069448346 /nfs/dbraw/zinc/44/83/46/1069448346.db2.gz YQXRXKWEYICGEF-UHFFFAOYSA-N 1 0 412.487 -0.144 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000509931750 1069529615 /nfs/dbraw/zinc/52/96/15/1069529615.db2.gz UKIIXFODORGRFW-UHFFFAOYSA-N 1 0 402.499 -0.364 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH+](C)CC1 ZINC000509938435 1069529914 /nfs/dbraw/zinc/52/99/14/1069529914.db2.gz OTNPOSVFRJHYNE-HNNXBMFYSA-N 1 0 423.539 -0.827 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH+](C)CC1 ZINC000509938448 1069529936 /nfs/dbraw/zinc/52/99/36/1069529936.db2.gz OTNPOSVFRJHYNE-OAHLLOKOSA-N 1 0 423.539 -0.827 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000509941233 1069551511 /nfs/dbraw/zinc/55/15/11/1069551511.db2.gz HOBHWPVHOMBJDQ-CYBMUJFWSA-N 1 0 421.483 -0.407 20 0 HBADRO C[N@@H+]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000510001041 1069820183 /nfs/dbraw/zinc/82/01/83/1069820183.db2.gz YNVMJASVMNBKAW-UHFFFAOYSA-N 1 0 410.540 -0.039 20 0 HBADRO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000510023497 1069879338 /nfs/dbraw/zinc/87/93/38/1069879338.db2.gz MYUPTUMKEDTKMD-CABCVRRESA-N 1 0 418.564 -0.891 20 0 HBADRO CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000510023499 1069879731 /nfs/dbraw/zinc/87/97/31/1069879731.db2.gz MYUPTUMKEDTKMD-GJZGRUSLSA-N 1 0 418.564 -0.891 20 0 HBADRO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000510023500 1069879693 /nfs/dbraw/zinc/87/96/93/1069879693.db2.gz MYUPTUMKEDTKMD-HUUCEWRRSA-N 1 0 418.564 -0.891 20 0 HBADRO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000510023502 1069879219 /nfs/dbraw/zinc/87/92/19/1069879219.db2.gz MYUPTUMKEDTKMD-LSDHHAIUSA-N 1 0 418.564 -0.891 20 0 HBADRO NC(=O)[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000510034340 1068211168 /nfs/dbraw/zinc/21/11/68/1068211168.db2.gz JAGABFANKANROP-SFHVURJKSA-N 1 0 420.535 -0.042 20 0 HBADRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000510067911 1068226808 /nfs/dbraw/zinc/22/68/08/1068226808.db2.gz BIADQIRPFKRAPH-UHFFFAOYSA-N 1 0 411.513 -0.437 20 0 HBADRO C[NH+](C)CCn1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510069516 1068228537 /nfs/dbraw/zinc/22/85/37/1068228537.db2.gz HEGUHIZLPXAPJR-UHFFFAOYSA-N 1 0 413.529 -0.667 20 0 HBADRO CC(C)CN(C(=O)CSc1nnnn1CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000510088623 1068242768 /nfs/dbraw/zinc/24/27/68/1068242768.db2.gz UXAUZSHFVOWSPC-CYBMUJFWSA-N 1 0 404.562 -0.002 20 0 HBADRO CC(C)CN(C(=O)CSc1nnnn1CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000510088624 1068242808 /nfs/dbraw/zinc/24/28/08/1068242808.db2.gz UXAUZSHFVOWSPC-ZDUSSCGKSA-N 1 0 404.562 -0.002 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CSc2nnnn2CC[NH+](C)C)c(=O)n(C)c1=O ZINC000510095424 1068246653 /nfs/dbraw/zinc/24/66/53/1068246653.db2.gz LSFXWTPHVCESFU-UHFFFAOYSA-N 1 0 410.504 -0.692 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)nc2n(C)c1=O ZINC000510103719 1068248326 /nfs/dbraw/zinc/24/83/26/1068248326.db2.gz QOCJVRIJRIIVLX-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cnc2n(C)c1=O ZINC000510105174 1068249451 /nfs/dbraw/zinc/24/94/51/1068249451.db2.gz ZQKHUBFZQMLIMO-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(CNS(C)(=O)=O)CC1)c(=O)n2C ZINC000510177925 1068290626 /nfs/dbraw/zinc/29/06/26/1068290626.db2.gz WJBOUTUXQSTTEU-UHFFFAOYSA-N 1 0 412.516 -0.915 20 0 HBADRO CS(=O)(=O)NCC1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000510191563 1068293591 /nfs/dbraw/zinc/29/35/91/1068293591.db2.gz IIEUEGUQVDPNCC-UHFFFAOYSA-N 1 0 418.541 -0.076 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000510193881 1068293625 /nfs/dbraw/zinc/29/36/25/1068293625.db2.gz SQWXGNZHPGHGLO-UHFFFAOYSA-N 1 0 417.466 -0.031 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(=O)N3CCCC3)ccc2oc1=O ZINC000510195145 1068293891 /nfs/dbraw/zinc/29/38/91/1068293891.db2.gz TWBIQSSJKUPBCF-UHFFFAOYSA-N 1 0 403.439 -0.167 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc2ccccn2c1=O ZINC000510200387 1068294547 /nfs/dbraw/zinc/29/45/47/1068294547.db2.gz MWOSQAMEMWWKEN-KRWDZBQOSA-N 1 0 410.478 -0.099 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510205425 1068295345 /nfs/dbraw/zinc/29/53/45/1068295345.db2.gz DIUQXSDWBZLNME-HNNXBMFYSA-N 1 0 410.544 -0.225 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510205426 1068295398 /nfs/dbraw/zinc/29/53/98/1068295398.db2.gz DIUQXSDWBZLNME-OAHLLOKOSA-N 1 0 410.544 -0.225 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000510208238 1068295378 /nfs/dbraw/zinc/29/53/78/1068295378.db2.gz HWGMTFRFUMLTLW-HNNXBMFYSA-N 1 0 403.483 -0.278 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCCS1(=O)=O ZINC000510208574 1068295141 /nfs/dbraw/zinc/29/51/41/1068295141.db2.gz FCPPDCGUZMJUCJ-KRWDZBQOSA-N 1 0 410.540 -0.183 20 0 HBADRO CS(=O)(=O)NCC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000510213513 1068296026 /nfs/dbraw/zinc/29/60/26/1068296026.db2.gz RVBMJCWQAIABBC-UHFFFAOYSA-N 1 0 410.544 -0.224 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510214993 1068296453 /nfs/dbraw/zinc/29/64/53/1068296453.db2.gz SXJXXXCXHKWQBP-KRWDZBQOSA-N 1 0 404.577 -0.279 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510215006 1068296558 /nfs/dbraw/zinc/29/65/58/1068296558.db2.gz SXJXXXCXHKWQBP-QGZVFWFLSA-N 1 0 404.577 -0.279 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000510223941 1068297492 /nfs/dbraw/zinc/29/74/92/1068297492.db2.gz RXIIDXPIVMNIPC-UHFFFAOYSA-N 1 0 419.482 -0.498 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000510223975 1068297322 /nfs/dbraw/zinc/29/73/22/1068297322.db2.gz SCILULDYPKDKKU-UHFFFAOYSA-N 1 0 407.446 -0.124 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000510225397 1068298079 /nfs/dbraw/zinc/29/80/79/1068298079.db2.gz WYTYBFGOFNVHBT-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO O=C(C[N@H+]1CC[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000510233939 1068301145 /nfs/dbraw/zinc/30/11/45/1068301145.db2.gz SHYUUWZVSCNYPF-CQSZACIVSA-N 1 0 411.480 -0.643 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C(=O)C1=O ZINC000510234630 1068300830 /nfs/dbraw/zinc/30/08/30/1068300830.db2.gz CTZGFDYNLPYNEB-KRWDZBQOSA-N 1 0 417.510 -0.918 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000510235451 1068301927 /nfs/dbraw/zinc/30/19/27/1068301927.db2.gz ABQHURCNBWXWLQ-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCS(=O)(=O)CC1 ZINC000510236662 1068302278 /nfs/dbraw/zinc/30/22/78/1068302278.db2.gz NCTMGGCSMZQPBS-KRWDZBQOSA-N 1 0 410.540 -0.878 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nn1 ZINC000510236673 1068301913 /nfs/dbraw/zinc/30/19/13/1068301913.db2.gz NFLPYZMCDIXMAH-INIZCTEOSA-N 1 0 415.498 -0.615 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000510238199 1068302092 /nfs/dbraw/zinc/30/20/92/1068302092.db2.gz GFIYVBSTGNYVGQ-UHFFFAOYSA-N 1 0 403.483 -0.003 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1=O ZINC000510241769 1068302995 /nfs/dbraw/zinc/30/29/95/1068302995.db2.gz YFBNHSQGZGSRJA-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1=O ZINC000510241779 1068303123 /nfs/dbraw/zinc/30/31/23/1068303123.db2.gz YFBNHSQGZGSRJA-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1=O ZINC000510241780 1068303054 /nfs/dbraw/zinc/30/30/54/1068303054.db2.gz YFBNHSQGZGSRJA-OAGGEKHMSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1=O ZINC000510241783 1068303197 /nfs/dbraw/zinc/30/31/97/1068303197.db2.gz YFBNHSQGZGSRJA-XHSDSOJGSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000510244543 1068303754 /nfs/dbraw/zinc/30/37/54/1068303754.db2.gz UBQHQNMIHODOSH-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO CS(=O)(=O)NCC1CCN(CCC[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000510245613 1068304538 /nfs/dbraw/zinc/30/45/38/1068304538.db2.gz UXKQAMDSTLPTJS-UHFFFAOYSA-N 1 0 424.633 -0.101 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000510249223 1068304997 /nfs/dbraw/zinc/30/49/97/1068304997.db2.gz NZFNLKHYHIBUAE-CQSZACIVSA-N 1 0 413.496 -0.397 20 0 HBADRO CC(CN1CCCN(S(C)(=O)=O)CC1)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000510250490 1068305929 /nfs/dbraw/zinc/30/59/29/1068305929.db2.gz VBKJFRFKGNMDKE-UHFFFAOYSA-N 1 0 410.606 -0.443 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC1 ZINC000510253791 1068305777 /nfs/dbraw/zinc/30/57/77/1068305777.db2.gz NJWYBKRALDDQFO-UHFFFAOYSA-N 1 0 403.483 -0.003 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000510258588 1068307804 /nfs/dbraw/zinc/30/78/04/1068307804.db2.gz PJGLNWOQCAGIJT-CYBMUJFWSA-N 1 0 408.484 -0.703 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000510258596 1068307916 /nfs/dbraw/zinc/30/79/16/1068307916.db2.gz PJGLNWOQCAGIJT-ZDUSSCGKSA-N 1 0 408.484 -0.703 20 0 HBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C(N)=O ZINC000510259639 1068307850 /nfs/dbraw/zinc/30/78/50/1068307850.db2.gz UYGXTSLNYDGHLQ-UHFFFAOYSA-N 1 0 401.467 -0.201 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000510270078 1068315818 /nfs/dbraw/zinc/31/58/18/1068315818.db2.gz MOEYXBPTYUVFMY-UHFFFAOYSA-N 1 0 403.483 -0.335 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000510283663 1068335034 /nfs/dbraw/zinc/33/50/34/1068335034.db2.gz WBXHHLMEYLSWGC-UHFFFAOYSA-N 1 0 419.482 -0.498 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000510288672 1068337651 /nfs/dbraw/zinc/33/76/51/1068337651.db2.gz QBVODZJFBYLWBL-UHFFFAOYSA-N 1 0 407.446 -0.124 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000510292863 1068338559 /nfs/dbraw/zinc/33/85/59/1068338559.db2.gz XSQNNWPEAUDBMR-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000510292864 1068338477 /nfs/dbraw/zinc/33/84/77/1068338477.db2.gz XSQNNWPEAUDBMR-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000510302520 1068350478 /nfs/dbraw/zinc/35/04/78/1068350478.db2.gz NIEFKXQJLMQMFF-OAHLLOKOSA-N 1 0 401.533 -0.640 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000510303280 1068350506 /nfs/dbraw/zinc/35/05/06/1068350506.db2.gz GFOIHXPYLZIEJO-HNNXBMFYSA-N 1 0 401.533 -0.783 20 0 HBADRO CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000510303282 1068350142 /nfs/dbraw/zinc/35/01/42/1068350142.db2.gz GFOIHXPYLZIEJO-OAHLLOKOSA-N 1 0 401.533 -0.783 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000510304900 1068351577 /nfs/dbraw/zinc/35/15/77/1068351577.db2.gz XAEAKFZRVBSMHI-CABCVRRESA-N 1 0 403.549 -0.490 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000510304905 1068352235 /nfs/dbraw/zinc/35/22/35/1068352235.db2.gz XAEAKFZRVBSMHI-GJZGRUSLSA-N 1 0 403.549 -0.490 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000510304906 1068352330 /nfs/dbraw/zinc/35/23/30/1068352330.db2.gz XAEAKFZRVBSMHI-HUUCEWRRSA-N 1 0 403.549 -0.490 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000510304907 1068352496 /nfs/dbraw/zinc/35/24/96/1068352496.db2.gz XAEAKFZRVBSMHI-LSDHHAIUSA-N 1 0 403.549 -0.490 20 0 HBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000510311626 1068362467 /nfs/dbraw/zinc/36/24/67/1068362467.db2.gz XPDDFVLNZYJILJ-UHFFFAOYSA-N 1 0 402.455 -0.629 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1=O ZINC000510331707 1068410134 /nfs/dbraw/zinc/41/01/34/1068410134.db2.gz FYTINVPFYAMVJZ-GOSISDBHSA-N 1 0 407.559 -0.057 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1=O ZINC000510331708 1068410360 /nfs/dbraw/zinc/41/03/60/1068410360.db2.gz FYTINVPFYAMVJZ-SFHVURJKSA-N 1 0 407.559 -0.057 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1=O ZINC000510339747 1068425309 /nfs/dbraw/zinc/42/53/09/1068425309.db2.gz HKDSONVQDFUQKP-HNNXBMFYSA-N 1 0 409.512 -0.675 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1=O ZINC000510339748 1068425264 /nfs/dbraw/zinc/42/52/64/1068425264.db2.gz HKDSONVQDFUQKP-OAHLLOKOSA-N 1 0 409.512 -0.675 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000510343985 1068427359 /nfs/dbraw/zinc/42/73/59/1068427359.db2.gz TVPNBFKPVBETJT-HNNXBMFYSA-N 1 0 423.539 -0.559 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000510343986 1068427483 /nfs/dbraw/zinc/42/74/83/1068427483.db2.gz TVPNBFKPVBETJT-OAHLLOKOSA-N 1 0 423.539 -0.559 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1=O ZINC000510347978 1068429567 /nfs/dbraw/zinc/42/95/67/1068429567.db2.gz KYZXXAJXKHMBKN-IBGZPJMESA-N 1 0 415.538 -0.143 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1=O ZINC000510347979 1068429818 /nfs/dbraw/zinc/42/98/18/1068429818.db2.gz KYZXXAJXKHMBKN-LJQANCHMSA-N 1 0 415.538 -0.143 20 0 HBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510352612 1068433315 /nfs/dbraw/zinc/43/33/15/1068433315.db2.gz KDQZFBHGEDVULD-MSOLQXFVSA-N 1 0 407.559 -0.058 20 0 HBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510352620 1068433261 /nfs/dbraw/zinc/43/32/61/1068433261.db2.gz KDQZFBHGEDVULD-QZTJIDSGSA-N 1 0 407.559 -0.058 20 0 HBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510352621 1068433400 /nfs/dbraw/zinc/43/34/00/1068433400.db2.gz KDQZFBHGEDVULD-ROUUACIJSA-N 1 0 407.559 -0.058 20 0 HBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510352622 1068433475 /nfs/dbraw/zinc/43/34/75/1068433475.db2.gz KDQZFBHGEDVULD-ZWKOTPCHSA-N 1 0 407.559 -0.058 20 0 HBADRO CC[C@@H](C)[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000510362930 1068448428 /nfs/dbraw/zinc/44/84/28/1068448428.db2.gz PRGWIBUABRJXCH-CVEARBPZSA-N 1 0 422.530 -0.098 20 0 HBADRO CC[C@H](C)[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000510362931 1068448157 /nfs/dbraw/zinc/44/81/57/1068448157.db2.gz PRGWIBUABRJXCH-HOTGVXAUSA-N 1 0 422.530 -0.098 20 0 HBADRO CC[C@@H](C)[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000510362932 1068448294 /nfs/dbraw/zinc/44/82/94/1068448294.db2.gz PRGWIBUABRJXCH-HZPDHXFCSA-N 1 0 422.530 -0.098 20 0 HBADRO CC[C@H](C)[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000510362933 1068448457 /nfs/dbraw/zinc/44/84/57/1068448457.db2.gz PRGWIBUABRJXCH-JKSUJKDBSA-N 1 0 422.530 -0.098 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510365433 1068462852 /nfs/dbraw/zinc/46/28/52/1068462852.db2.gz YEXMERUIPTUZPZ-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510365442 1068463096 /nfs/dbraw/zinc/46/30/96/1068463096.db2.gz YEXMERUIPTUZPZ-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000510378558 1068475711 /nfs/dbraw/zinc/47/57/11/1068475711.db2.gz NZFNLKHYHIBUAE-AWEZNQCLSA-N 1 0 413.496 -0.397 20 0 HBADRO CC[C@@H](C)[C@@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000510379829 1068476615 /nfs/dbraw/zinc/47/66/15/1068476615.db2.gz SRCMHOHCQSZEGJ-CVEARBPZSA-N 1 0 412.622 -0.103 20 0 HBADRO CC[C@H](C)[C@@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000510379831 1068476870 /nfs/dbraw/zinc/47/68/70/1068476870.db2.gz SRCMHOHCQSZEGJ-HOTGVXAUSA-N 1 0 412.622 -0.103 20 0 HBADRO CC[C@@H](C)[C@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000510379834 1068476730 /nfs/dbraw/zinc/47/67/30/1068476730.db2.gz SRCMHOHCQSZEGJ-HZPDHXFCSA-N 1 0 412.622 -0.103 20 0 HBADRO CC[C@H](C)[C@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000510379835 1068477038 /nfs/dbraw/zinc/47/70/38/1068477038.db2.gz SRCMHOHCQSZEGJ-JKSUJKDBSA-N 1 0 412.622 -0.103 20 0 HBADRO O=C(C[N@H+]1CC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000510381039 1068476806 /nfs/dbraw/zinc/47/68/06/1068476806.db2.gz SHYUUWZVSCNYPF-AWEZNQCLSA-N 1 0 411.480 -0.643 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O ZINC000510383418 1068476710 /nfs/dbraw/zinc/47/67/10/1068476710.db2.gz DBDCHHQIAFHXKL-INIZCTEOSA-N 1 0 408.524 -0.070 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O ZINC000510383421 1068477694 /nfs/dbraw/zinc/47/76/94/1068477694.db2.gz DBDCHHQIAFHXKL-MRXNPFEDSA-N 1 0 408.524 -0.070 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510384468 1068477531 /nfs/dbraw/zinc/47/75/31/1068477531.db2.gz MGCIATQEXIGLEN-KBPBESRZSA-N 1 0 410.496 -0.476 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000510384472 1068478526 /nfs/dbraw/zinc/47/85/26/1068478526.db2.gz MHHAVBFUELHLEH-HNNXBMFYSA-N 1 0 404.467 -0.133 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000510384473 1068478388 /nfs/dbraw/zinc/47/83/88/1068478388.db2.gz MHHAVBFUELHLEH-OAHLLOKOSA-N 1 0 404.467 -0.133 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000510385167 1068477469 /nfs/dbraw/zinc/47/74/69/1068477469.db2.gz UBJVXESZJOHFJJ-HNNXBMFYSA-N 1 0 424.523 -0.085 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000510385168 1068477684 /nfs/dbraw/zinc/47/76/84/1068477684.db2.gz UBJVXESZJOHFJJ-OAHLLOKOSA-N 1 0 424.523 -0.085 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000510387833 1068478983 /nfs/dbraw/zinc/47/89/83/1068478983.db2.gz DJKVEKPYJPKGBE-AWEZNQCLSA-N 1 0 413.496 -0.397 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000510387834 1068478892 /nfs/dbraw/zinc/47/88/92/1068478892.db2.gz DJKVEKPYJPKGBE-CQSZACIVSA-N 1 0 413.496 -0.397 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1=O ZINC000510398876 1068482759 /nfs/dbraw/zinc/48/27/59/1068482759.db2.gz QGFJPSBJZBASKL-INIZCTEOSA-N 1 0 417.514 -0.958 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1=O ZINC000510398881 1068482744 /nfs/dbraw/zinc/48/27/44/1068482744.db2.gz QGFJPSBJZBASKL-MRXNPFEDSA-N 1 0 417.514 -0.958 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000510401286 1068482639 /nfs/dbraw/zinc/48/26/39/1068482639.db2.gz YLPDBRZKMJFQBV-KRWDZBQOSA-N 1 0 416.526 -0.353 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000510401287 1068482787 /nfs/dbraw/zinc/48/27/87/1068482787.db2.gz YLPDBRZKMJFQBV-QGZVFWFLSA-N 1 0 416.526 -0.353 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000510406378 1068485124 /nfs/dbraw/zinc/48/51/24/1068485124.db2.gz LRKBBTNSRSAILO-KRWDZBQOSA-N 1 0 401.511 -0.139 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000510406379 1068485041 /nfs/dbraw/zinc/48/50/41/1068485041.db2.gz LRKBBTNSRSAILO-QGZVFWFLSA-N 1 0 401.511 -0.139 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408547 1068485605 /nfs/dbraw/zinc/48/56/05/1068485605.db2.gz WVSXZMMHQYULBI-GDBMZVCRSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408548 1068485852 /nfs/dbraw/zinc/48/58/52/1068485852.db2.gz WVSXZMMHQYULBI-GOEBONIOSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408549 1068485630 /nfs/dbraw/zinc/48/56/30/1068485630.db2.gz WVSXZMMHQYULBI-HOCLYGCPSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408550 1068485656 /nfs/dbraw/zinc/48/56/56/1068485656.db2.gz WVSXZMMHQYULBI-ZBFHGGJFSA-N 1 0 424.523 -0.086 20 0 HBADRO Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)n2ncnc2n1 ZINC000510418973 1068488043 /nfs/dbraw/zinc/48/80/43/1068488043.db2.gz BICOENHBTNZNSG-HNNXBMFYSA-N 1 0 400.487 -0.509 20 0 HBADRO Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)n2ncnc2n1 ZINC000510418974 1068487989 /nfs/dbraw/zinc/48/79/89/1068487989.db2.gz BICOENHBTNZNSG-OAHLLOKOSA-N 1 0 400.487 -0.509 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CC1=O ZINC000510422746 1068489484 /nfs/dbraw/zinc/48/94/84/1068489484.db2.gz BGVVLYNRKYKUAF-INIZCTEOSA-N 1 0 413.482 -0.057 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CC1=O ZINC000510422747 1068489355 /nfs/dbraw/zinc/48/93/55/1068489355.db2.gz BGVVLYNRKYKUAF-MRXNPFEDSA-N 1 0 413.482 -0.057 20 0 HBADRO NC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434247 1068500126 /nfs/dbraw/zinc/50/01/26/1068500126.db2.gz BYXNRTLLCOKMLF-HNNXBMFYSA-N 1 0 412.487 -0.002 20 0 HBADRO NC(=O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434248 1068500183 /nfs/dbraw/zinc/50/01/83/1068500183.db2.gz BYXNRTLLCOKMLF-OAHLLOKOSA-N 1 0 412.487 -0.002 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000510476526 1068534696 /nfs/dbraw/zinc/53/46/96/1068534696.db2.gz VZMPLORTIVZRMT-MQVJKMGUSA-N 1 0 415.560 -0.253 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478496 1068535411 /nfs/dbraw/zinc/53/54/11/1068535411.db2.gz NBOBDKHYTDHBTH-ARFHVFGLSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478497 1068535292 /nfs/dbraw/zinc/53/52/92/1068535292.db2.gz NBOBDKHYTDHBTH-BZUAXINKSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478498 1068535386 /nfs/dbraw/zinc/53/53/86/1068535386.db2.gz NBOBDKHYTDHBTH-HRCADAONSA-N 1 0 400.545 -0.283 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478499 1068535064 /nfs/dbraw/zinc/53/50/64/1068535064.db2.gz NBOBDKHYTDHBTH-OWCLPIDISA-N 1 0 400.545 -0.283 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000510482172 1068535314 /nfs/dbraw/zinc/53/53/14/1068535314.db2.gz OACOVJHFETVLLV-UYTSQGDYSA-N 1 0 415.560 -0.207 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000510482173 1068535152 /nfs/dbraw/zinc/53/51/52/1068535152.db2.gz OACOVJHFETVLLV-WTXIUTQJSA-N 1 0 415.560 -0.207 20 0 HBADRO COCCN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1=O ZINC000510482993 1068535916 /nfs/dbraw/zinc/53/59/16/1068535916.db2.gz RTERIJVRYTYSGD-ALOPSCKCSA-N 1 0 409.531 -0.040 20 0 HBADRO C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCN1S(C)(=O)=O ZINC000510492319 1068541282 /nfs/dbraw/zinc/54/12/82/1068541282.db2.gz QKESMNQAKYRAKX-HNSVSWJLSA-N 1 0 415.560 -0.255 20 0 HBADRO O=S(=O)(NCCN(CC[NH+]1CCCCC1)S(=O)(=O)N1CCC1)N1CCC1 ZINC000510533978 1068550448 /nfs/dbraw/zinc/55/04/48/1068550448.db2.gz NJDGVBMCMGTRNH-UHFFFAOYSA-N 1 0 409.578 -0.735 20 0 HBADRO CC(C)NS(=O)(=O)NCCN(CC[NH+]1CCCCC1)S(=O)(=O)NC(C)C ZINC000510538303 1068550550 /nfs/dbraw/zinc/55/05/50/1068550550.db2.gz LHQWBPRHGXRGID-UHFFFAOYSA-N 1 0 413.610 -0.151 20 0 HBADRO CCN(C)S(=O)(=O)NCCN(CC[NH+]1CCCCC1)S(=O)(=O)N(C)CC ZINC000510539752 1068551031 /nfs/dbraw/zinc/55/10/31/1068551031.db2.gz RHQSHPPTOIHXIW-UHFFFAOYSA-N 1 0 413.610 -0.243 20 0 HBADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000510581128 1068553086 /nfs/dbraw/zinc/55/30/86/1068553086.db2.gz ROKRHZLORNHJSS-BBRMVZONSA-N 1 0 414.528 -0.014 20 0 HBADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000510581129 1068552925 /nfs/dbraw/zinc/55/29/25/1068552925.db2.gz ROKRHZLORNHJSS-CJNGLKHVSA-N 1 0 414.528 -0.014 20 0 HBADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000510581130 1068552955 /nfs/dbraw/zinc/55/29/55/1068552955.db2.gz ROKRHZLORNHJSS-CZUORRHYSA-N 1 0 414.528 -0.014 20 0 HBADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1 ZINC000510581131 1068553042 /nfs/dbraw/zinc/55/30/42/1068553042.db2.gz ROKRHZLORNHJSS-XJKSGUPXSA-N 1 0 414.528 -0.014 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC000510630155 1068555745 /nfs/dbraw/zinc/55/57/45/1068555745.db2.gz RWXCACJQPZICIQ-UHFFFAOYSA-N 1 0 405.503 -0.315 20 0 HBADRO NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000510658495 1068557375 /nfs/dbraw/zinc/55/73/75/1068557375.db2.gz NUPUBTUTMBWPTC-INIZCTEOSA-N 1 0 402.561 -0.109 20 0 HBADRO NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000510658500 1068557467 /nfs/dbraw/zinc/55/74/67/1068557467.db2.gz NUPUBTUTMBWPTC-MRXNPFEDSA-N 1 0 402.561 -0.109 20 0 HBADRO Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000510658649 1068558184 /nfs/dbraw/zinc/55/81/84/1068558184.db2.gz OBMYODQPICYFBM-INIZCTEOSA-N 1 0 404.515 -0.201 20 0 HBADRO Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000510658653 1068558148 /nfs/dbraw/zinc/55/81/48/1068558148.db2.gz OBMYODQPICYFBM-MRXNPFEDSA-N 1 0 404.515 -0.201 20 0 HBADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000510675480 1068559292 /nfs/dbraw/zinc/55/92/92/1068559292.db2.gz QLCBGGTWEWBMER-UHFFFAOYSA-N 1 0 408.546 -0.145 20 0 HBADRO Cn1c2ncn(CC[N@H+](C)C[C@H](O)COCc3ccccc3)c2c(=O)n(C)c1=O ZINC000510682702 1068560049 /nfs/dbraw/zinc/56/00/49/1068560049.db2.gz NVUYWEMIPAGEHX-INIZCTEOSA-N 1 0 401.467 -0.057 20 0 HBADRO Cn1c2ncn(CC[N@H+](C)C[C@@H](O)COCc3ccccc3)c2c(=O)n(C)c1=O ZINC000510682704 1068559872 /nfs/dbraw/zinc/55/98/72/1068559872.db2.gz NVUYWEMIPAGEHX-MRXNPFEDSA-N 1 0 401.467 -0.057 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719571 1068563471 /nfs/dbraw/zinc/56/34/71/1068563471.db2.gz PUUVXYQDGCOSPG-IBGZPJMESA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719572 1068563364 /nfs/dbraw/zinc/56/33/64/1068563364.db2.gz PUUVXYQDGCOSPG-LJQANCHMSA-N 1 0 409.575 -0.301 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000510730989 1068566996 /nfs/dbraw/zinc/56/69/96/1068566996.db2.gz HECRQOIZNGTBIU-UHFFFAOYSA-N 1 0 408.933 -0.088 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000510732300 1068566979 /nfs/dbraw/zinc/56/69/79/1068566979.db2.gz IUIWJUCCSNQANA-UHFFFAOYSA-N 1 0 411.462 -0.144 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000510749438 1068568202 /nfs/dbraw/zinc/56/82/02/1068568202.db2.gz KOEFJBHHFGGUDA-UHFFFAOYSA-N 1 0 422.551 -0.237 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000510754806 1068568818 /nfs/dbraw/zinc/56/88/18/1068568818.db2.gz WSQYJNBUGUKWQQ-CVEARBPZSA-N 1 0 410.544 -0.035 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000510754811 1068568855 /nfs/dbraw/zinc/56/88/55/1068568855.db2.gz WSQYJNBUGUKWQQ-HOTGVXAUSA-N 1 0 410.544 -0.035 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000510754813 1068568559 /nfs/dbraw/zinc/56/85/59/1068568559.db2.gz WSQYJNBUGUKWQQ-HZPDHXFCSA-N 1 0 410.544 -0.035 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000510754814 1068568540 /nfs/dbraw/zinc/56/85/40/1068568540.db2.gz WSQYJNBUGUKWQQ-JKSUJKDBSA-N 1 0 410.544 -0.035 20 0 HBADRO CNC(=O)CCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000510763361 1068568692 /nfs/dbraw/zinc/56/86/92/1068568692.db2.gz BLFFWNYXFCDPGB-GOSISDBHSA-N 1 0 418.494 -0.045 20 0 HBADRO CNC(=O)CCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000510763371 1068568576 /nfs/dbraw/zinc/56/85/76/1068568576.db2.gz BLFFWNYXFCDPGB-SFHVURJKSA-N 1 0 418.494 -0.045 20 0 HBADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000510768711 1068569228 /nfs/dbraw/zinc/56/92/28/1068569228.db2.gz VCFRQKIESJVYSM-BYNSBNAKSA-N 1 0 409.574 -0.140 20 0 HBADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000510768712 1068569159 /nfs/dbraw/zinc/56/91/59/1068569159.db2.gz VCFRQKIESJVYSM-GBJTYRQASA-N 1 0 409.574 -0.140 20 0 HBADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000510768713 1068569484 /nfs/dbraw/zinc/56/94/84/1068569484.db2.gz VCFRQKIESJVYSM-XQLPTFJDSA-N 1 0 409.574 -0.140 20 0 HBADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000510768715 1068569209 /nfs/dbraw/zinc/56/92/09/1068569209.db2.gz VCFRQKIESJVYSM-YJNKXOJESA-N 1 0 409.574 -0.140 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000510769679 1068569625 /nfs/dbraw/zinc/56/96/25/1068569625.db2.gz WQNBBWPEWHMQBU-CVEARBPZSA-N 1 0 412.512 -0.383 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000510769680 1068569389 /nfs/dbraw/zinc/56/93/89/1068569389.db2.gz WQNBBWPEWHMQBU-HOTGVXAUSA-N 1 0 412.512 -0.383 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000510769681 1068569184 /nfs/dbraw/zinc/56/91/84/1068569184.db2.gz WQNBBWPEWHMQBU-HZPDHXFCSA-N 1 0 412.512 -0.383 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000510769682 1068569321 /nfs/dbraw/zinc/56/93/21/1068569321.db2.gz WQNBBWPEWHMQBU-JKSUJKDBSA-N 1 0 412.512 -0.383 20 0 HBADRO CNC(=O)CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000510785689 1068571457 /nfs/dbraw/zinc/57/14/57/1068571457.db2.gz XJEWMINWVLGFNB-UHFFFAOYSA-N 1 0 415.516 -0.418 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798010 1068571377 /nfs/dbraw/zinc/57/13/77/1068571377.db2.gz ODEKDURFVWEZNR-CHWSQXEVSA-N 1 0 401.489 -0.015 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798011 1068571162 /nfs/dbraw/zinc/57/11/62/1068571162.db2.gz ODEKDURFVWEZNR-OLZOCXBDSA-N 1 0 401.489 -0.015 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798012 1068571352 /nfs/dbraw/zinc/57/13/52/1068571352.db2.gz ODEKDURFVWEZNR-QWHCGFSZSA-N 1 0 401.489 -0.015 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798013 1068571430 /nfs/dbraw/zinc/57/14/30/1068571430.db2.gz ODEKDURFVWEZNR-STQMWFEESA-N 1 0 401.489 -0.015 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000510806782 1068572745 /nfs/dbraw/zinc/57/27/45/1068572745.db2.gz PHGIFMWAIMUFDT-UHFFFAOYSA-N 1 0 415.516 -0.602 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000510807982 1068572463 /nfs/dbraw/zinc/57/24/63/1068572463.db2.gz WCNCHODIJWDZJY-UHFFFAOYSA-N 1 0 406.512 -0.004 20 0 HBADRO COc1cc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccn1 ZINC000510822517 1068574237 /nfs/dbraw/zinc/57/42/37/1068574237.db2.gz VFYTUCSFWWGFKY-CYBMUJFWSA-N 1 0 417.470 -0.220 20 0 HBADRO COc1cc([C@H](C)NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccn1 ZINC000510822518 1068575036 /nfs/dbraw/zinc/57/50/36/1068575036.db2.gz VFYTUCSFWWGFKY-ZDUSSCGKSA-N 1 0 417.470 -0.220 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000510909981 1068580300 /nfs/dbraw/zinc/58/03/00/1068580300.db2.gz CWEYMBQYTLEFJU-AYHJJNSGSA-N 1 0 422.574 -0.125 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000510920396 1068582144 /nfs/dbraw/zinc/58/21/44/1068582144.db2.gz JUECKTWFTXCDHT-AYHJJNSGSA-N 1 0 422.574 -0.078 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000510922778 1068582450 /nfs/dbraw/zinc/58/24/50/1068582450.db2.gz WIXGAXKXFKZHDU-HDICACEKSA-N 1 0 411.547 -0.328 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000510922779 1068582740 /nfs/dbraw/zinc/58/27/40/1068582740.db2.gz WIXGAXKXFKZHDU-QZTJIDSGSA-N 1 0 411.547 -0.328 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000510922780 1068582778 /nfs/dbraw/zinc/58/27/78/1068582778.db2.gz WIXGAXKXFKZHDU-ROUUACIJSA-N 1 0 411.547 -0.328 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000510925407 1068584393 /nfs/dbraw/zinc/58/43/93/1068584393.db2.gz RDMUOXVADBFXLX-ALOPSCKCSA-N 1 0 408.547 -0.467 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000510929779 1068585576 /nfs/dbraw/zinc/58/55/76/1068585576.db2.gz NLBMHTHKSKZXQO-UYTSQGDYSA-N 1 0 415.560 -0.207 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000510929782 1068585754 /nfs/dbraw/zinc/58/57/54/1068585754.db2.gz NLBMHTHKSKZXQO-WTXIUTQJSA-N 1 0 415.560 -0.207 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933464 1068587531 /nfs/dbraw/zinc/58/75/31/1068587531.db2.gz DHLULLOUYWCCLE-INIZCTEOSA-N 1 0 401.471 -0.088 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933477 1068587601 /nfs/dbraw/zinc/58/76/01/1068587601.db2.gz DHLULLOUYWCCLE-MRXNPFEDSA-N 1 0 401.471 -0.088 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000510963260 1068591068 /nfs/dbraw/zinc/59/10/68/1068591068.db2.gz ADKGFDATGOVKGA-UHFFFAOYSA-N 1 0 400.501 -0.171 20 0 HBADRO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(S(N)(=O)=O)c1 ZINC000510995806 1068614193 /nfs/dbraw/zinc/61/41/93/1068614193.db2.gz JKOOPDXQNRKTRB-LLVKDONJSA-N 1 0 406.468 -0.568 20 0 HBADRO C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(S(N)(=O)=O)c1 ZINC000510995807 1068614280 /nfs/dbraw/zinc/61/42/80/1068614280.db2.gz JKOOPDXQNRKTRB-NSHDSACASA-N 1 0 406.468 -0.568 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000511021564 1068628675 /nfs/dbraw/zinc/62/86/75/1068628675.db2.gz DNRSZARRHFLLDU-UHFFFAOYSA-N 1 0 402.499 -0.220 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000511021752 1068630645 /nfs/dbraw/zinc/63/06/45/1068630645.db2.gz GYNZEXOWFHIUTJ-IBGZPJMESA-N 1 0 409.575 -0.443 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000511021753 1068630732 /nfs/dbraw/zinc/63/07/32/1068630732.db2.gz GYNZEXOWFHIUTJ-LJQANCHMSA-N 1 0 409.575 -0.443 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCC2CC[NH+](CCN(C)C)CC2)cn1C ZINC000511023575 1068632142 /nfs/dbraw/zinc/63/21/42/1068632142.db2.gz DIXYOPIFAIWUCW-UHFFFAOYSA-N 1 0 414.576 -0.213 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCC2CC[NH+](CCN(C)C)CC2)cn1C ZINC000511027255 1068632428 /nfs/dbraw/zinc/63/24/28/1068632428.db2.gz KJEJVAXBJZGBQO-UHFFFAOYSA-N 1 0 400.549 -0.603 20 0 HBADRO O=C(CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000511028104 1068633234 /nfs/dbraw/zinc/63/32/34/1068633234.db2.gz KSDAZWMQOVIRNI-UHFFFAOYSA-N 1 0 419.530 -0.073 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034031 1068635274 /nfs/dbraw/zinc/63/52/74/1068635274.db2.gz ZKWJATNNHJRHKX-DLBZAZTESA-N 1 0 414.572 -0.588 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034032 1068635438 /nfs/dbraw/zinc/63/54/38/1068635438.db2.gz ZKWJATNNHJRHKX-IAGOWNOFSA-N 1 0 414.572 -0.588 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034033 1068636047 /nfs/dbraw/zinc/63/60/47/1068636047.db2.gz ZKWJATNNHJRHKX-IRXDYDNUSA-N 1 0 414.572 -0.588 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034034 1068636007 /nfs/dbraw/zinc/63/60/07/1068636007.db2.gz ZKWJATNNHJRHKX-SJORKVTESA-N 1 0 414.572 -0.588 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000511039885 1068638391 /nfs/dbraw/zinc/63/83/91/1068638391.db2.gz IVINGYSGSMIUSC-UHFFFAOYSA-N 1 0 402.499 -0.364 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000511040987 1068638778 /nfs/dbraw/zinc/63/87/78/1068638778.db2.gz UTGYCFBXNQHIOP-UHFFFAOYSA-N 1 0 419.530 -0.786 20 0 HBADRO C[C@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042211 1068640356 /nfs/dbraw/zinc/64/03/56/1068640356.db2.gz CALVUXDSBUOJML-MOPGFXCFSA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@@H](CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042213 1068640229 /nfs/dbraw/zinc/64/02/29/1068640229.db2.gz CALVUXDSBUOJML-OALUTQOASA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042214 1068640270 /nfs/dbraw/zinc/64/02/70/1068640270.db2.gz CALVUXDSBUOJML-RBUKOAKNSA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@H](CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042216 1068640319 /nfs/dbraw/zinc/64/03/19/1068640319.db2.gz CALVUXDSBUOJML-RTBURBONSA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CC[NH+](C)CC1 ZINC000511048084 1068643407 /nfs/dbraw/zinc/64/34/07/1068643407.db2.gz QIKKJWABMVSJJN-CYBMUJFWSA-N 1 0 419.511 -0.289 20 0 HBADRO C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CC[NH+](C)CC1 ZINC000511048086 1068643202 /nfs/dbraw/zinc/64/32/02/1068643202.db2.gz QIKKJWABMVSJJN-ZDUSSCGKSA-N 1 0 419.511 -0.289 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000511051115 1068644048 /nfs/dbraw/zinc/64/40/48/1068644048.db2.gz JRHAVAJIEMZDBS-UHFFFAOYSA-N 1 0 412.516 -0.139 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1C ZINC000511054110 1068644877 /nfs/dbraw/zinc/64/48/77/1068644877.db2.gz IQWMTRNZYIZRMN-HNNXBMFYSA-N 1 0 401.533 -0.130 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cn1C ZINC000511054111 1068644991 /nfs/dbraw/zinc/64/49/91/1068644991.db2.gz IQWMTRNZYIZRMN-OAHLLOKOSA-N 1 0 401.533 -0.130 20 0 HBADRO C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[NH+](C)CC1 ZINC000511056553 1068646239 /nfs/dbraw/zinc/64/62/39/1068646239.db2.gz OMXATVSSVASBCD-GFCCVEGCSA-N 1 0 405.484 -0.537 20 0 HBADRO C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CC[NH+](C)CC1 ZINC000511056554 1068646214 /nfs/dbraw/zinc/64/62/14/1068646214.db2.gz OMXATVSSVASBCD-LBPRGKRZSA-N 1 0 405.484 -0.537 20 0 HBADRO Cn1nccc1C1=CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511072736 1069717225 /nfs/dbraw/zinc/71/72/25/1069717225.db2.gz MDVGJKKUCZSOHA-UHFFFAOYSA-N 1 0 416.526 -0.488 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000511080791 1068659079 /nfs/dbraw/zinc/65/90/79/1068659079.db2.gz KLCVNWAQRAWSMK-INIZCTEOSA-N 1 0 410.544 -0.129 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000511080793 1068659126 /nfs/dbraw/zinc/65/91/26/1068659126.db2.gz KLCVNWAQRAWSMK-MRXNPFEDSA-N 1 0 410.544 -0.129 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094039 1068672280 /nfs/dbraw/zinc/67/22/80/1068672280.db2.gz XAEDHDVDEJWXBI-DLBZAZTESA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094044 1068672295 /nfs/dbraw/zinc/67/22/95/1068672295.db2.gz XAEDHDVDEJWXBI-IAGOWNOFSA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094047 1068672351 /nfs/dbraw/zinc/67/23/51/1068672351.db2.gz XAEDHDVDEJWXBI-IRXDYDNUSA-N 1 0 404.577 -0.185 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094050 1068672118 /nfs/dbraw/zinc/67/21/18/1068672118.db2.gz XAEDHDVDEJWXBI-SJORKVTESA-N 1 0 404.577 -0.185 20 0 HBADRO CN(C[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1)S(C)(=O)=O ZINC000511096132 1068675535 /nfs/dbraw/zinc/67/55/35/1068675535.db2.gz NPAUSLIIRLWKFA-CYBMUJFWSA-N 1 0 412.516 -0.963 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1)S(C)(=O)=O ZINC000511096141 1068675395 /nfs/dbraw/zinc/67/53/95/1068675395.db2.gz NPAUSLIIRLWKFA-ZDUSSCGKSA-N 1 0 412.516 -0.963 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000511146457 1068700400 /nfs/dbraw/zinc/70/04/00/1068700400.db2.gz YAYBDTGKBFQECH-CYBMUJFWSA-N 1 0 412.516 -0.820 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000511146462 1068700321 /nfs/dbraw/zinc/70/03/21/1068700321.db2.gz YAYBDTGKBFQECH-ZDUSSCGKSA-N 1 0 412.516 -0.820 20 0 HBADRO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000511147562 1068701198 /nfs/dbraw/zinc/70/11/98/1068701198.db2.gz QGSLKEUYKWBODD-GOSISDBHSA-N 1 0 418.542 -0.398 20 0 HBADRO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000511147563 1068700910 /nfs/dbraw/zinc/70/09/10/1068700910.db2.gz QGSLKEUYKWBODD-SFHVURJKSA-N 1 0 418.542 -0.398 20 0 HBADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC(=O)c1ccccc1 ZINC000511156179 1068701543 /nfs/dbraw/zinc/70/15/43/1068701543.db2.gz PMPGJKAEGATDTL-DLBZAZTESA-N 1 0 409.508 -0.537 20 0 HBADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC(=O)c1ccccc1 ZINC000511156181 1068701658 /nfs/dbraw/zinc/70/16/58/1068701658.db2.gz PMPGJKAEGATDTL-IAGOWNOFSA-N 1 0 409.508 -0.537 20 0 HBADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC(=O)c1ccccc1 ZINC000511156183 1068701614 /nfs/dbraw/zinc/70/16/14/1068701614.db2.gz PMPGJKAEGATDTL-IRXDYDNUSA-N 1 0 409.508 -0.537 20 0 HBADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC(=O)c1ccccc1 ZINC000511156184 1068701477 /nfs/dbraw/zinc/70/14/77/1068701477.db2.gz PMPGJKAEGATDTL-SJORKVTESA-N 1 0 409.508 -0.537 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 ZINC000511163339 1068702759 /nfs/dbraw/zinc/70/27/59/1068702759.db2.gz WGCRITYQSNGFIG-UHFFFAOYSA-N 1 0 403.549 -0.825 20 0 HBADRO CN(C)C(=O)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511177536 1069717189 /nfs/dbraw/zinc/71/71/89/1069717189.db2.gz VPYDOPTYUGMSBL-UHFFFAOYSA-N 1 0 423.558 -0.820 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511216052 1068740618 /nfs/dbraw/zinc/74/06/18/1068740618.db2.gz KIINOXSRQVVSLI-HNNXBMFYSA-N 1 0 401.533 -0.459 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511216053 1068740420 /nfs/dbraw/zinc/74/04/20/1068740420.db2.gz KIINOXSRQVVSLI-OAHLLOKOSA-N 1 0 401.533 -0.459 20 0 HBADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccccc1Cn1cncn1 ZINC000511228702 1068754179 /nfs/dbraw/zinc/75/41/79/1068754179.db2.gz OFMXXILZNABHRA-UHFFFAOYSA-N 1 0 422.555 -0.005 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511229285 1068754229 /nfs/dbraw/zinc/75/42/29/1068754229.db2.gz KCAJAXXCFGRLCI-INIZCTEOSA-N 1 0 417.576 -0.004 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511229288 1068754312 /nfs/dbraw/zinc/75/43/12/1068754312.db2.gz KCAJAXXCFGRLCI-MRXNPFEDSA-N 1 0 417.576 -0.004 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511230493 1068756011 /nfs/dbraw/zinc/75/60/11/1068756011.db2.gz FZFOHSMVAUEJJQ-CVEARBPZSA-N 1 0 415.560 -0.252 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511230495 1068755848 /nfs/dbraw/zinc/75/58/48/1068755848.db2.gz FZFOHSMVAUEJJQ-HOTGVXAUSA-N 1 0 415.560 -0.252 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511230497 1068756236 /nfs/dbraw/zinc/75/62/36/1068756236.db2.gz FZFOHSMVAUEJJQ-HZPDHXFCSA-N 1 0 415.560 -0.252 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000511230500 1068756095 /nfs/dbraw/zinc/75/60/95/1068756095.db2.gz FZFOHSMVAUEJJQ-JKSUJKDBSA-N 1 0 415.560 -0.252 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511250663 1071537244 /nfs/dbraw/zinc/53/72/44/1071537244.db2.gz OHANFZKSSVVRJR-INIZCTEOSA-N 1 0 414.576 -0.544 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511250666 1068853344 /nfs/dbraw/zinc/85/33/44/1068853344.db2.gz OHANFZKSSVVRJR-MRXNPFEDSA-N 1 0 414.576 -0.544 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511276888 1068892430 /nfs/dbraw/zinc/89/24/30/1068892430.db2.gz NUJHLWONRXRQGV-UHFFFAOYSA-N 1 0 424.590 -0.410 20 0 HBADRO C[C@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511283508 1068895645 /nfs/dbraw/zinc/89/56/45/1068895645.db2.gz DVRPQWJZPPPGCD-HNNXBMFYSA-N 1 0 415.560 -0.023 20 0 HBADRO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511283509 1068895854 /nfs/dbraw/zinc/89/58/54/1068895854.db2.gz DVRPQWJZPPPGCD-OAHLLOKOSA-N 1 0 415.560 -0.023 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511286654 1068897302 /nfs/dbraw/zinc/89/73/02/1068897302.db2.gz GAOFSTDPPHKVAN-UHFFFAOYSA-N 1 0 413.548 -0.383 20 0 HBADRO COCCN1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1=O ZINC000511292210 1068901280 /nfs/dbraw/zinc/90/12/80/1068901280.db2.gz WJOQUSDCTJPSTJ-UHFFFAOYSA-N 1 0 419.482 -0.190 20 0 HBADRO COCCN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1=O ZINC000511299337 1068903629 /nfs/dbraw/zinc/90/36/29/1068903629.db2.gz GKKZURJHPYCQQI-UHFFFAOYSA-N 1 0 419.482 -0.168 20 0 HBADRO COCC(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000511342322 1068936801 /nfs/dbraw/zinc/93/68/01/1068936801.db2.gz KIHVNLWGZRWNPY-UHFFFAOYSA-N 1 0 419.530 -0.121 20 0 HBADRO COCCN1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1=O ZINC000511363622 1068955790 /nfs/dbraw/zinc/95/57/90/1068955790.db2.gz RMZVADHGYIHMEH-UHFFFAOYSA-N 1 0 417.510 -0.310 20 0 HBADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000511427091 1068976204 /nfs/dbraw/zinc/97/62/04/1068976204.db2.gz RGXLNEFQMKJYCM-KSZLIROESA-N 1 0 411.524 -0.018 20 0 HBADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511427092 1068976061 /nfs/dbraw/zinc/97/60/61/1068976061.db2.gz RGXLNEFQMKJYCM-KURKYZTESA-N 1 0 411.524 -0.018 20 0 HBADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511427093 1068975832 /nfs/dbraw/zinc/97/58/32/1068975832.db2.gz RGXLNEFQMKJYCM-KZNAEPCWSA-N 1 0 411.524 -0.018 20 0 HBADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000511427094 1068975885 /nfs/dbraw/zinc/97/58/85/1068975885.db2.gz RGXLNEFQMKJYCM-RCCFBDPRSA-N 1 0 411.524 -0.018 20 0 HBADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000511427141 1068975980 /nfs/dbraw/zinc/97/59/80/1068975980.db2.gz SAHJWOSQTDKLIS-UHFFFAOYSA-N 1 0 402.517 -0.128 20 0 HBADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)nc1 ZINC000511428965 1068977285 /nfs/dbraw/zinc/97/72/85/1068977285.db2.gz KPTPBMKZVRKHPR-INIZCTEOSA-N 1 0 411.528 -0.212 20 0 HBADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)nc1 ZINC000511428970 1068977583 /nfs/dbraw/zinc/97/75/83/1068977583.db2.gz KPTPBMKZVRKHPR-MRXNPFEDSA-N 1 0 411.528 -0.212 20 0 HBADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCOCC3)c2)CC1 ZINC000511435099 1068978717 /nfs/dbraw/zinc/97/87/17/1068978717.db2.gz HUKFQFPRJINNPH-UHFFFAOYSA-N 1 0 417.510 -0.229 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)C1 ZINC000511436030 1068979678 /nfs/dbraw/zinc/97/96/78/1068979678.db2.gz HKHZOQDCYSSLFP-DLBZAZTESA-N 1 0 418.560 -0.764 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)C1 ZINC000511436033 1068979568 /nfs/dbraw/zinc/97/95/68/1068979568.db2.gz HKHZOQDCYSSLFP-IAGOWNOFSA-N 1 0 418.560 -0.764 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)C1 ZINC000511436034 1068979632 /nfs/dbraw/zinc/97/96/32/1068979632.db2.gz HKHZOQDCYSSLFP-IRXDYDNUSA-N 1 0 418.560 -0.764 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)C1 ZINC000511436036 1068979448 /nfs/dbraw/zinc/97/94/48/1068979448.db2.gz HKHZOQDCYSSLFP-SJORKVTESA-N 1 0 418.560 -0.764 20 0 HBADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000511438023 1068980703 /nfs/dbraw/zinc/98/07/03/1068980703.db2.gz QZPBNPJUPAXGFK-UHFFFAOYSA-N 1 0 413.562 -0.979 20 0 HBADRO COCCN1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000511442039 1068981707 /nfs/dbraw/zinc/98/17/07/1068981707.db2.gz FKXNNRNSTFBLCC-UHFFFAOYSA-N 1 0 405.503 -0.164 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)c(OCC[NH+](C)C)c1 ZINC000511448125 1068985297 /nfs/dbraw/zinc/98/52/97/1068985297.db2.gz VNEKOAKDKDCBIF-AWEZNQCLSA-N 1 0 413.496 -0.196 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)c(OCC[NH+](C)C)c1 ZINC000511448126 1068985108 /nfs/dbraw/zinc/98/51/08/1068985108.db2.gz VNEKOAKDKDCBIF-CQSZACIVSA-N 1 0 413.496 -0.196 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)c2)CC1 ZINC000511448155 1068985259 /nfs/dbraw/zinc/98/52/59/1068985259.db2.gz VSZKTVRCEMDJKG-KRWDZBQOSA-N 1 0 424.523 -0.698 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)c2)CC1 ZINC000511448156 1068985045 /nfs/dbraw/zinc/98/50/45/1068985045.db2.gz VSZKTVRCEMDJKG-QGZVFWFLSA-N 1 0 424.523 -0.698 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000511462467 1068991369 /nfs/dbraw/zinc/99/13/69/1068991369.db2.gz RIZLPAPJVSUIJG-HNNXBMFYSA-N 1 0 418.560 -0.274 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000511462468 1068991173 /nfs/dbraw/zinc/99/11/73/1068991173.db2.gz RIZLPAPJVSUIJG-OAHLLOKOSA-N 1 0 418.560 -0.274 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+](C)C ZINC000511463937 1068992633 /nfs/dbraw/zinc/99/26/33/1068992633.db2.gz QOSSKBIWSUUCAJ-CYBMUJFWSA-N 1 0 404.471 -0.337 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+](C)C ZINC000511463938 1068992825 /nfs/dbraw/zinc/99/28/25/1068992825.db2.gz QOSSKBIWSUUCAJ-ZDUSSCGKSA-N 1 0 404.471 -0.337 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000511470367 1068992795 /nfs/dbraw/zinc/99/27/95/1068992795.db2.gz HIAIRHSEZUZLEU-UHFFFAOYSA-N 1 0 402.455 -0.581 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000511489076 1068995194 /nfs/dbraw/zinc/99/51/94/1068995194.db2.gz HBFMMMRZIPGCTI-UHFFFAOYSA-N 1 0 405.499 -0.108 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)N1CC[NH+](C)CC1 ZINC000511499731 1068995921 /nfs/dbraw/zinc/99/59/21/1068995921.db2.gz NCQCXYNLLQMFQL-HNNXBMFYSA-N 1 0 411.528 -0.188 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)N1CC[NH+](C)CC1 ZINC000511499732 1068995735 /nfs/dbraw/zinc/99/57/35/1068995735.db2.gz NCQCXYNLLQMFQL-OAHLLOKOSA-N 1 0 411.528 -0.188 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000511504313 1068997363 /nfs/dbraw/zinc/99/73/63/1068997363.db2.gz HNZDWXJKNNVLAU-BIWSTMPVSA-N 1 0 406.487 -0.545 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000511504314 1068997207 /nfs/dbraw/zinc/99/72/07/1068997207.db2.gz HNZDWXJKNNVLAU-SHYRYGCCSA-N 1 0 406.487 -0.545 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000511530992 1069054087 /nfs/dbraw/zinc/05/40/87/1069054087.db2.gz HCRBZIFAWIGEEB-UHFFFAOYSA-N 1 0 406.487 -0.543 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000511531860 1069054105 /nfs/dbraw/zinc/05/41/05/1069054105.db2.gz ATLLSEASQLFFBT-UHFFFAOYSA-N 1 0 408.503 -0.297 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCC1 ZINC000511552323 1069082720 /nfs/dbraw/zinc/08/27/20/1069082720.db2.gz NUUGUIMEIKCKQV-HNNXBMFYSA-N 1 0 416.482 -0.193 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCC1 ZINC000511552326 1069082632 /nfs/dbraw/zinc/08/26/32/1069082632.db2.gz NUUGUIMEIKCKQV-OAHLLOKOSA-N 1 0 416.482 -0.193 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000511568975 1069085591 /nfs/dbraw/zinc/08/55/91/1069085591.db2.gz BIUZWCJSYNQEQF-AWEZNQCLSA-N 1 0 414.466 -0.343 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000511568976 1069086421 /nfs/dbraw/zinc/08/64/21/1069086421.db2.gz BIUZWCJSYNQEQF-CQSZACIVSA-N 1 0 414.466 -0.343 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511569885 1069086462 /nfs/dbraw/zinc/08/64/62/1069086462.db2.gz GMERJHQILVLYHO-AEFFLSMTSA-N 1 0 402.495 -0.060 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511569886 1069086413 /nfs/dbraw/zinc/08/64/13/1069086413.db2.gz GMERJHQILVLYHO-FUHWJXTLSA-N 1 0 402.495 -0.060 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511569887 1069086470 /nfs/dbraw/zinc/08/64/70/1069086470.db2.gz GMERJHQILVLYHO-SJLPKXTDSA-N 1 0 402.495 -0.060 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511569888 1069086429 /nfs/dbraw/zinc/08/64/29/1069086429.db2.gz GMERJHQILVLYHO-WMZOPIPTSA-N 1 0 402.495 -0.060 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000511573331 1069087485 /nfs/dbraw/zinc/08/74/85/1069087485.db2.gz HRIQSLMPJIKVBW-HUUCEWRRSA-N 1 0 400.501 -0.030 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000511581293 1069089025 /nfs/dbraw/zinc/08/90/25/1069089025.db2.gz OCKURFXLKHWKEZ-DOTOQJQBSA-N 1 0 408.524 -0.273 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000511581294 1069089041 /nfs/dbraw/zinc/08/90/41/1069089041.db2.gz OCKURFXLKHWKEZ-NVXWUHKLSA-N 1 0 408.524 -0.273 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000511581295 1069090022 /nfs/dbraw/zinc/09/00/22/1069090022.db2.gz OCKURFXLKHWKEZ-RDJZCZTQSA-N 1 0 408.524 -0.273 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000511581296 1069089988 /nfs/dbraw/zinc/08/99/88/1069089988.db2.gz OCKURFXLKHWKEZ-WBVHZDCISA-N 1 0 408.524 -0.273 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000511591668 1069092075 /nfs/dbraw/zinc/09/20/75/1069092075.db2.gz JSYHRKCNKYUALW-PBHICJAKSA-N 1 0 408.524 -0.369 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000511591674 1069092474 /nfs/dbraw/zinc/09/24/74/1069092474.db2.gz JSYHRKCNKYUALW-RHSMWYFYSA-N 1 0 408.524 -0.369 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000511591675 1069092230 /nfs/dbraw/zinc/09/22/30/1069092230.db2.gz JSYHRKCNKYUALW-WMLDXEAASA-N 1 0 408.524 -0.369 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000511591676 1069091983 /nfs/dbraw/zinc/09/19/83/1069091983.db2.gz JSYHRKCNKYUALW-YOEHRIQHSA-N 1 0 408.524 -0.369 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000511595023 1069093745 /nfs/dbraw/zinc/09/37/45/1069093745.db2.gz LGHQBBCNHJUZQF-HOJAQTOUSA-N 1 0 418.538 -0.225 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000511595024 1069093561 /nfs/dbraw/zinc/09/35/61/1069093561.db2.gz LGHQBBCNHJUZQF-MISYRCLQSA-N 1 0 418.538 -0.225 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000511595025 1069093376 /nfs/dbraw/zinc/09/33/76/1069093376.db2.gz LGHQBBCNHJUZQF-RLLQIKCJSA-N 1 0 418.538 -0.225 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000511595028 1069093205 /nfs/dbraw/zinc/09/32/05/1069093205.db2.gz LGHQBBCNHJUZQF-YZGWKJHDSA-N 1 0 418.538 -0.225 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CNC(=O)c1ncccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000511596595 1069094193 /nfs/dbraw/zinc/09/41/93/1069094193.db2.gz SISQWUOKORMYIQ-AWEZNQCLSA-N 1 0 412.512 -0.126 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CNC(=O)c1ncccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000511596605 1069094221 /nfs/dbraw/zinc/09/42/21/1069094221.db2.gz SISQWUOKORMYIQ-CQSZACIVSA-N 1 0 412.512 -0.126 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511600982 1069094962 /nfs/dbraw/zinc/09/49/62/1069094962.db2.gz XYJFJLXZKPGIRV-HKUYNNGSSA-N 1 0 415.538 -0.097 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511600983 1069094811 /nfs/dbraw/zinc/09/48/11/1069094811.db2.gz XYJFJLXZKPGIRV-IEBWSBKVSA-N 1 0 415.538 -0.097 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511600984 1069094875 /nfs/dbraw/zinc/09/48/75/1069094875.db2.gz XYJFJLXZKPGIRV-MJGOQNOKSA-N 1 0 415.538 -0.097 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511600985 1069094941 /nfs/dbraw/zinc/09/49/41/1069094941.db2.gz XYJFJLXZKPGIRV-PKOBYXMFSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511601333 1069094322 /nfs/dbraw/zinc/09/43/22/1069094322.db2.gz ZKQPNMQDOZLLJP-CABCVRRESA-N 1 0 412.512 -0.047 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511601334 1069094911 /nfs/dbraw/zinc/09/49/11/1069094911.db2.gz ZKQPNMQDOZLLJP-GJZGRUSLSA-N 1 0 412.512 -0.047 20 0 HBADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511601335 1069094665 /nfs/dbraw/zinc/09/46/65/1069094665.db2.gz ZKQPNMQDOZLLJP-HUUCEWRRSA-N 1 0 412.512 -0.047 20 0 HBADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511601336 1069094850 /nfs/dbraw/zinc/09/48/50/1069094850.db2.gz ZKQPNMQDOZLLJP-LSDHHAIUSA-N 1 0 412.512 -0.047 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000511617504 1069100917 /nfs/dbraw/zinc/10/09/17/1069100917.db2.gz SHVQSJCVQXNEJB-ATZDWAIDSA-N 1 0 402.495 -0.013 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000511617505 1069100619 /nfs/dbraw/zinc/10/06/19/1069100619.db2.gz SHVQSJCVQXNEJB-IPELMVKDSA-N 1 0 402.495 -0.013 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000511617506 1069100533 /nfs/dbraw/zinc/10/05/33/1069100533.db2.gz SHVQSJCVQXNEJB-KFKAGJAMSA-N 1 0 402.495 -0.013 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000511617507 1069100820 /nfs/dbraw/zinc/10/08/20/1069100820.db2.gz SHVQSJCVQXNEJB-LZQZEXGQSA-N 1 0 402.495 -0.013 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000511618387 1069101743 /nfs/dbraw/zinc/10/17/43/1069101743.db2.gz QNWKFEDAMLCXGA-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000511618388 1069102195 /nfs/dbraw/zinc/10/21/95/1069102195.db2.gz QNWKFEDAMLCXGA-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc21 ZINC000511618574 1069101538 /nfs/dbraw/zinc/10/15/38/1069101538.db2.gz ZHCPMAQCOVMXGT-UHFFFAOYSA-N 1 0 408.455 -0.002 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000511626975 1069104792 /nfs/dbraw/zinc/10/47/92/1069104792.db2.gz JUYOAICQRLTJRM-UHFFFAOYSA-N 1 0 417.576 -0.830 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2oc1=O ZINC000511657796 1069153130 /nfs/dbraw/zinc/15/31/30/1069153130.db2.gz YJLGIOZEHUWNCW-UHFFFAOYSA-N 1 0 415.450 -0.163 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000511672765 1069173461 /nfs/dbraw/zinc/17/34/61/1069173461.db2.gz LCZILTRWRAWCOY-AWEZNQCLSA-N 1 0 412.512 -0.037 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000511672768 1069173968 /nfs/dbraw/zinc/17/39/68/1069173968.db2.gz LCZILTRWRAWCOY-CQSZACIVSA-N 1 0 412.512 -0.037 20 0 HBADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000511685163 1069720251 /nfs/dbraw/zinc/72/02/51/1069720251.db2.gz WWFHIPRVNYXFPN-XPKAMFKHSA-N 1 0 406.527 -0.655 20 0 HBADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)[C@H]1[C@H]3C2 ZINC000511685164 1069720355 /nfs/dbraw/zinc/72/03/55/1069720355.db2.gz WWFHIPRVNYXFPN-YRJWVXGYSA-N 1 0 406.527 -0.655 20 0 HBADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000511685165 1069720875 /nfs/dbraw/zinc/72/08/75/1069720875.db2.gz WWFHIPRVNYXFPN-ZHPHXZAZSA-N 1 0 406.527 -0.655 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2oc1=O ZINC000511691817 1069176923 /nfs/dbraw/zinc/17/69/23/1069176923.db2.gz NJUHOUUAFRMUSB-HNNXBMFYSA-N 1 0 415.450 -0.165 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2oc1=O ZINC000511691818 1069177010 /nfs/dbraw/zinc/17/70/10/1069177010.db2.gz NJUHOUUAFRMUSB-OAHLLOKOSA-N 1 0 415.450 -0.165 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2oc1=O ZINC000511695072 1069175490 /nfs/dbraw/zinc/17/54/90/1069175490.db2.gz GJDALYMQZKWXFF-GFCCVEGCSA-N 1 0 403.439 -0.226 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2oc1=O ZINC000511695073 1069175567 /nfs/dbraw/zinc/17/55/67/1069175567.db2.gz GJDALYMQZKWXFF-LBPRGKRZSA-N 1 0 403.439 -0.226 20 0 HBADRO Cn1c2cccc(NC(=O)C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)c2oc1=O ZINC000511712227 1069177665 /nfs/dbraw/zinc/17/76/65/1069177665.db2.gz IYQMXQPXHVNZMV-UHFFFAOYSA-N 1 0 417.466 -0.014 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1C ZINC000511750712 1069181336 /nfs/dbraw/zinc/18/13/36/1069181336.db2.gz CZOXIHWMXPNALF-UHFFFAOYSA-N 1 0 421.527 -0.530 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000511756581 1069181314 /nfs/dbraw/zinc/18/13/14/1069181314.db2.gz NDFWNLOIZAJZGH-AWEZNQCLSA-N 1 0 412.512 -0.037 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000511756584 1069181355 /nfs/dbraw/zinc/18/13/55/1069181355.db2.gz NDFWNLOIZAJZGH-CQSZACIVSA-N 1 0 412.512 -0.037 20 0 HBADRO COc1cc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1OCC[NH+](C)C ZINC000511867835 1069199348 /nfs/dbraw/zinc/19/93/48/1069199348.db2.gz MMBZMVFPNPJDJK-UHFFFAOYSA-N 1 0 411.484 -0.204 20 0 HBADRO C[NH+](C)CCn1nnnc1SCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000511872253 1069201485 /nfs/dbraw/zinc/20/14/85/1069201485.db2.gz BBRLOBAKLCEAOF-UHFFFAOYSA-N 1 0 409.501 -0.094 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000511907867 1069229018 /nfs/dbraw/zinc/22/90/18/1069229018.db2.gz DFLRCXOYHXBSSY-INIZCTEOSA-N 1 0 403.549 -0.235 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000511914551 1069230145 /nfs/dbraw/zinc/23/01/45/1069230145.db2.gz ACCJNXKRFXADCR-KRWDZBQOSA-N 1 0 416.592 -0.320 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511947808 1069235228 /nfs/dbraw/zinc/23/52/28/1069235228.db2.gz INTKIUXSVNTLHI-UHFFFAOYSA-N 1 0 414.510 -0.038 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1)N1CCOCC1 ZINC000511950016 1069235628 /nfs/dbraw/zinc/23/56/28/1069235628.db2.gz HLKLOTFCKKTEKJ-UHFFFAOYSA-N 1 0 421.542 -0.878 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)c1=O ZINC000511956930 1069236482 /nfs/dbraw/zinc/23/64/82/1069236482.db2.gz SIJLMSWTHHUASQ-UHFFFAOYSA-N 1 0 402.499 -0.438 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)n1 ZINC000511963937 1069239376 /nfs/dbraw/zinc/23/93/76/1069239376.db2.gz HKHOFVMGZBYAQK-UHFFFAOYSA-N 1 0 420.514 -0.007 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511967344 1069242105 /nfs/dbraw/zinc/24/21/05/1069242105.db2.gz KRYGXFZZDQCBPW-UHFFFAOYSA-N 1 0 405.499 -0.931 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1)N1CCCC1 ZINC000511967947 1069241556 /nfs/dbraw/zinc/24/15/56/1069241556.db2.gz QQPANJVTRZXZKP-UHFFFAOYSA-N 1 0 405.543 -0.114 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511971979 1069245073 /nfs/dbraw/zinc/24/50/73/1069245073.db2.gz LLSSVNLDNQUHCT-FAEJEUNOSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511971980 1069244944 /nfs/dbraw/zinc/24/49/44/1069244944.db2.gz LLSSVNLDNQUHCT-ZLPCBKJTSA-N 1 0 405.543 -0.069 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511976024 1069247435 /nfs/dbraw/zinc/24/74/35/1069247435.db2.gz YHIQQWFGBJWSRJ-UHFFFAOYSA-N 1 0 421.542 -0.878 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511981070 1069249543 /nfs/dbraw/zinc/24/95/43/1069249543.db2.gz HGKXJAOSINTWSI-FHERZECASA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511981071 1069249523 /nfs/dbraw/zinc/24/95/23/1069249523.db2.gz HGKXJAOSINTWSI-QQFBHYJXSA-N 1 0 400.545 -0.093 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)nc1 ZINC000511985595 1069253222 /nfs/dbraw/zinc/25/32/22/1069253222.db2.gz WTZPFELANXXIMK-UHFFFAOYSA-N 1 0 414.510 -0.038 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000512001160 1069259966 /nfs/dbraw/zinc/25/99/66/1069259966.db2.gz WFOGKMAZEUHBJU-UHFFFAOYSA-N 1 0 407.496 -0.076 20 0 HBADRO O=C(NCCNc1cc[nH+]cc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000512005892 1069260791 /nfs/dbraw/zinc/26/07/91/1069260791.db2.gz CUEJFLCFYVKOID-UHFFFAOYSA-N 1 0 403.464 -0.534 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000512113060 1069277220 /nfs/dbraw/zinc/27/72/20/1069277220.db2.gz HLJGUXFDLNDEQW-UHFFFAOYSA-N 1 0 417.466 -0.769 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000512114016 1069277190 /nfs/dbraw/zinc/27/71/90/1069277190.db2.gz KKRVVEAUUGGWBR-IYBDPMFKSA-N 1 0 406.483 -0.813 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000512114409 1069277135 /nfs/dbraw/zinc/27/71/35/1069277135.db2.gz LLBCNIYWXRNIGT-UHFFFAOYSA-N 1 0 404.475 -0.828 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000512176874 1069722070 /nfs/dbraw/zinc/72/20/70/1069722070.db2.gz FASCNJWFDOFADS-MOPGFXCFSA-N 1 0 407.559 -0.452 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000512176886 1069722244 /nfs/dbraw/zinc/72/22/44/1069722244.db2.gz FASCNJWFDOFADS-OALUTQOASA-N 1 0 407.559 -0.452 20 0 HBADRO C[NH+](C)Cc1ccc(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)nc1 ZINC000512176976 1069284978 /nfs/dbraw/zinc/28/49/78/1069284978.db2.gz CAQPLIOCRZDRIS-UHFFFAOYSA-N 1 0 417.557 -0.760 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000512177106 1069722306 /nfs/dbraw/zinc/72/23/06/1069722306.db2.gz FASCNJWFDOFADS-RBUKOAKNSA-N 1 0 407.559 -0.452 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000512177107 1069722121 /nfs/dbraw/zinc/72/21/21/1069722121.db2.gz FASCNJWFDOFADS-RTBURBONSA-N 1 0 407.559 -0.452 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cn1C ZINC000512255863 1069299383 /nfs/dbraw/zinc/29/93/83/1069299383.db2.gz FBDJASXGAPPUSB-UHFFFAOYSA-N 1 0 407.500 -0.208 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccn1 ZINC000512277278 1069301334 /nfs/dbraw/zinc/30/13/34/1069301334.db2.gz GFULZCJVCZVCOW-CVEARBPZSA-N 1 0 412.512 -0.750 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccn1 ZINC000512277279 1069301530 /nfs/dbraw/zinc/30/15/30/1069301530.db2.gz GFULZCJVCZVCOW-HOTGVXAUSA-N 1 0 412.512 -0.750 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccn1 ZINC000512277280 1069301422 /nfs/dbraw/zinc/30/14/22/1069301422.db2.gz GFULZCJVCZVCOW-HZPDHXFCSA-N 1 0 412.512 -0.750 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccn1 ZINC000512277281 1069301245 /nfs/dbraw/zinc/30/12/45/1069301245.db2.gz GFULZCJVCZVCOW-JKSUJKDBSA-N 1 0 412.512 -0.750 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccn1 ZINC000512299654 1069302132 /nfs/dbraw/zinc/30/21/32/1069302132.db2.gz AQRYVUAWHKRANH-UHFFFAOYSA-N 1 0 403.483 -0.071 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccn1 ZINC000512304463 1071553425 /nfs/dbraw/zinc/55/34/25/1071553425.db2.gz KGDNUFSUSHMFJM-UHFFFAOYSA-N 1 0 417.466 -0.545 20 0 HBADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCN(C)CC1 ZINC000512309363 1069303170 /nfs/dbraw/zinc/30/31/70/1069303170.db2.gz LREMJKXGSUTYLX-AWEZNQCLSA-N 1 0 408.528 -0.159 20 0 HBADRO C[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCN(C)CC1 ZINC000512309371 1069303345 /nfs/dbraw/zinc/30/33/45/1069303345.db2.gz LREMJKXGSUTYLX-CQSZACIVSA-N 1 0 408.528 -0.159 20 0 HBADRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000512309898 1069302925 /nfs/dbraw/zinc/30/29/25/1069302925.db2.gz SZWJJTPMAULZDF-GOSISDBHSA-N 1 0 407.536 -0.563 20 0 HBADRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000512309901 1069303501 /nfs/dbraw/zinc/30/35/01/1069303501.db2.gz SZWJJTPMAULZDF-SFHVURJKSA-N 1 0 407.536 -0.563 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000512338258 1069305534 /nfs/dbraw/zinc/30/55/34/1069305534.db2.gz LEYGGBTURZBOSD-AWEZNQCLSA-N 1 0 408.528 -0.017 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000512338260 1069305474 /nfs/dbraw/zinc/30/54/74/1069305474.db2.gz LEYGGBTURZBOSD-CQSZACIVSA-N 1 0 408.528 -0.017 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000512350681 1069309106 /nfs/dbraw/zinc/30/91/06/1069309106.db2.gz SWBKUOMLCWYQSZ-INIZCTEOSA-N 1 0 424.523 -0.616 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000512350682 1069309038 /nfs/dbraw/zinc/30/90/38/1069309038.db2.gz SWBKUOMLCWYQSZ-MRXNPFEDSA-N 1 0 424.523 -0.616 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512365207 1069313768 /nfs/dbraw/zinc/31/37/68/1069313768.db2.gz UJPYDKBCVRPWRX-DZGCQCFKSA-N 1 0 412.512 -0.585 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512365208 1069314049 /nfs/dbraw/zinc/31/40/49/1069314049.db2.gz UJPYDKBCVRPWRX-HIFRSBDPSA-N 1 0 412.512 -0.585 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512365209 1069313831 /nfs/dbraw/zinc/31/38/31/1069313831.db2.gz UJPYDKBCVRPWRX-UKRRQHHQSA-N 1 0 412.512 -0.585 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512365210 1069313892 /nfs/dbraw/zinc/31/38/92/1069313892.db2.gz UJPYDKBCVRPWRX-ZFWWWQNUSA-N 1 0 412.512 -0.585 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCN1CCNC(=O)C1 ZINC000512366924 1069314318 /nfs/dbraw/zinc/31/43/18/1069314318.db2.gz FPUCAQRYWDARNZ-UHFFFAOYSA-N 1 0 404.519 -0.890 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n1 ZINC000512368204 1069314415 /nfs/dbraw/zinc/31/44/15/1069314415.db2.gz MNFRJNODCQIQKR-CABCVRRESA-N 1 0 405.503 -0.198 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n1 ZINC000512368208 1069314664 /nfs/dbraw/zinc/31/46/64/1069314664.db2.gz MNFRJNODCQIQKR-GJZGRUSLSA-N 1 0 405.503 -0.198 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n1 ZINC000512368210 1069314350 /nfs/dbraw/zinc/31/43/50/1069314350.db2.gz MNFRJNODCQIQKR-HUUCEWRRSA-N 1 0 405.503 -0.198 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n1 ZINC000512368212 1069314539 /nfs/dbraw/zinc/31/45/39/1069314539.db2.gz MNFRJNODCQIQKR-LSDHHAIUSA-N 1 0 405.503 -0.198 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000512373550 1069316446 /nfs/dbraw/zinc/31/64/46/1069316446.db2.gz MRJMKYQVOMSUSK-INIZCTEOSA-N 1 0 417.514 -0.135 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000512373551 1069316301 /nfs/dbraw/zinc/31/63/01/1069316301.db2.gz MRJMKYQVOMSUSK-MRXNPFEDSA-N 1 0 417.514 -0.135 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000512374582 1069315867 /nfs/dbraw/zinc/31/58/67/1069315867.db2.gz HAIWFMPQMKPOEE-AWEZNQCLSA-N 1 0 400.501 -0.388 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000512374583 1069316021 /nfs/dbraw/zinc/31/60/21/1069316021.db2.gz HAIWFMPQMKPOEE-CQSZACIVSA-N 1 0 400.501 -0.388 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512375508 1069315830 /nfs/dbraw/zinc/31/58/30/1069315830.db2.gz TWQLCOXDJRHWCO-DZGCQCFKSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512375509 1069315991 /nfs/dbraw/zinc/31/59/91/1069315991.db2.gz TWQLCOXDJRHWCO-HIFRSBDPSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512375510 1069316050 /nfs/dbraw/zinc/31/60/50/1069316050.db2.gz TWQLCOXDJRHWCO-UKRRQHHQSA-N 1 0 401.533 -0.333 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512375511 1069315809 /nfs/dbraw/zinc/31/58/09/1069315809.db2.gz TWQLCOXDJRHWCO-ZFWWWQNUSA-N 1 0 401.533 -0.333 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000512379958 1069317860 /nfs/dbraw/zinc/31/78/60/1069317860.db2.gz SIUDNIQGYPVWEN-INIZCTEOSA-N 1 0 424.523 -0.616 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000512379959 1069317657 /nfs/dbraw/zinc/31/76/57/1069317657.db2.gz SIUDNIQGYPVWEN-MRXNPFEDSA-N 1 0 424.523 -0.616 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCCN1CCNC(=O)C1 ZINC000512390786 1069319051 /nfs/dbraw/zinc/31/90/51/1069319051.db2.gz HRFFRUWGTHSHOF-UHFFFAOYSA-N 1 0 402.543 -0.075 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000512418508 1069325036 /nfs/dbraw/zinc/32/50/36/1069325036.db2.gz OWDIJVMZPUPGOQ-CABCVRRESA-N 1 0 401.533 -0.642 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000512418509 1069324645 /nfs/dbraw/zinc/32/46/45/1069324645.db2.gz OWDIJVMZPUPGOQ-HUUCEWRRSA-N 1 0 401.533 -0.642 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512419347 1069324761 /nfs/dbraw/zinc/32/47/61/1069324761.db2.gz XMXRYQMHDNEEDC-MRXNPFEDSA-N 1 0 405.565 -0.900 20 0 HBADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000512420197 1069324825 /nfs/dbraw/zinc/32/48/25/1069324825.db2.gz IJIBYIVPUYPELL-DOTOQJQBSA-N 1 0 410.540 -0.212 20 0 HBADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000512420198 1069324684 /nfs/dbraw/zinc/32/46/84/1069324684.db2.gz IJIBYIVPUYPELL-NVXWUHKLSA-N 1 0 410.540 -0.212 20 0 HBADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000512420199 1069325076 /nfs/dbraw/zinc/32/50/76/1069325076.db2.gz IJIBYIVPUYPELL-RDJZCZTQSA-N 1 0 410.540 -0.212 20 0 HBADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000512420200 1069324961 /nfs/dbraw/zinc/32/49/61/1069324961.db2.gz IJIBYIVPUYPELL-WBVHZDCISA-N 1 0 410.540 -0.212 20 0 HBADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000512421846 1069323865 /nfs/dbraw/zinc/32/38/65/1069323865.db2.gz WATDPJLAYSQPNC-MSOLQXFVSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000512421847 1069324308 /nfs/dbraw/zinc/32/43/08/1069324308.db2.gz WATDPJLAYSQPNC-QZTJIDSGSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000512421848 1069324168 /nfs/dbraw/zinc/32/41/68/1069324168.db2.gz WATDPJLAYSQPNC-ROUUACIJSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000512421849 1069324377 /nfs/dbraw/zinc/32/43/77/1069324377.db2.gz WATDPJLAYSQPNC-ZWKOTPCHSA-N 1 0 409.575 -0.160 20 0 HBADRO CCCN(CC[NH+]1CCCC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000512432269 1069722290 /nfs/dbraw/zinc/72/22/90/1069722290.db2.gz DXWNWMXDTSYFOA-UHFFFAOYSA-N 1 0 409.575 -0.203 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000512435052 1069328396 /nfs/dbraw/zinc/32/83/96/1069328396.db2.gz DQOZVNKFFAIZHL-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512447015 1069330765 /nfs/dbraw/zinc/33/07/65/1069330765.db2.gz QCBXHCLSPDDTKL-HNNXBMFYSA-N 1 0 403.549 -0.537 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512447016 1069331318 /nfs/dbraw/zinc/33/13/18/1069331318.db2.gz QCBXHCLSPDDTKL-OAHLLOKOSA-N 1 0 403.549 -0.537 20 0 HBADRO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000512451074 1069331483 /nfs/dbraw/zinc/33/14/83/1069331483.db2.gz FIUVJQIYEYKBNM-CRAIPNDOSA-N 1 0 410.540 -0.014 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000512451075 1069331208 /nfs/dbraw/zinc/33/12/08/1069331208.db2.gz FIUVJQIYEYKBNM-MAUKXSAKSA-N 1 0 410.540 -0.014 20 0 HBADRO COc1cccc([C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[NH+](C)C)c1 ZINC000512477640 1069341915 /nfs/dbraw/zinc/34/19/15/1069341915.db2.gz BSLZFFMGPJTPCU-HNNXBMFYSA-N 1 0 414.466 -0.139 20 0 HBADRO COc1cccc([C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[NH+](C)C)c1 ZINC000512477641 1069340854 /nfs/dbraw/zinc/34/08/54/1069340854.db2.gz BSLZFFMGPJTPCU-OAHLLOKOSA-N 1 0 414.466 -0.139 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512483247 1069343059 /nfs/dbraw/zinc/34/30/59/1069343059.db2.gz HRPPQHQOFPXTEG-CABCVRRESA-N 1 0 401.533 -0.784 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512483248 1069342582 /nfs/dbraw/zinc/34/25/82/1069342582.db2.gz HRPPQHQOFPXTEG-GJZGRUSLSA-N 1 0 401.533 -0.784 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512483249 1069342993 /nfs/dbraw/zinc/34/29/93/1069342993.db2.gz HRPPQHQOFPXTEG-HUUCEWRRSA-N 1 0 401.533 -0.784 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512483250 1069342913 /nfs/dbraw/zinc/34/29/13/1069342913.db2.gz HRPPQHQOFPXTEG-LSDHHAIUSA-N 1 0 401.533 -0.784 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000512485483 1069343281 /nfs/dbraw/zinc/34/32/81/1069343281.db2.gz HWZRKDNJWUEZAH-DLBZAZTESA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000512485486 1069343640 /nfs/dbraw/zinc/34/36/40/1069343640.db2.gz HWZRKDNJWUEZAH-IAGOWNOFSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000512485487 1069343425 /nfs/dbraw/zinc/34/34/25/1069343425.db2.gz HWZRKDNJWUEZAH-IRXDYDNUSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000512485488 1069343523 /nfs/dbraw/zinc/34/35/23/1069343523.db2.gz HWZRKDNJWUEZAH-SJORKVTESA-N 1 0 404.577 -0.042 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000512534313 1069355112 /nfs/dbraw/zinc/35/51/12/1069355112.db2.gz PGIBFHYPTOFUDV-KRWDZBQOSA-N 1 0 405.499 -0.315 20 0 HBADRO C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000512534314 1069355059 /nfs/dbraw/zinc/35/50/59/1069355059.db2.gz PGIBFHYPTOFUDV-QGZVFWFLSA-N 1 0 405.499 -0.315 20 0 HBADRO CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512556435 1069721804 /nfs/dbraw/zinc/72/18/04/1069721804.db2.gz CQMQWNIKSHVOQF-DFNIBXOVSA-N 1 0 407.559 -0.454 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCCN1C(=O)c2ccccc2C1=O ZINC000512583494 1069389564 /nfs/dbraw/zinc/38/95/64/1069389564.db2.gz SSLTZCZDVPMWOZ-UHFFFAOYSA-N 1 0 417.510 -0.028 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cn1C ZINC000512602208 1069391666 /nfs/dbraw/zinc/39/16/66/1069391666.db2.gz MOTHFHMQXIYBIA-UHFFFAOYSA-N 1 0 412.560 -0.318 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000512651070 1069396329 /nfs/dbraw/zinc/39/63/29/1069396329.db2.gz NNGHCTMGDNZRNW-AWEZNQCLSA-N 1 0 408.480 -0.054 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000512661711 1069396984 /nfs/dbraw/zinc/39/69/84/1069396984.db2.gz SXASWERIOJIDEV-HNNXBMFYSA-N 1 0 403.483 -0.278 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512688402 1069398450 /nfs/dbraw/zinc/39/84/50/1069398450.db2.gz HZVXGCCSDBRUDW-UHFFFAOYSA-N 1 0 410.563 -0.456 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512689682 1069398952 /nfs/dbraw/zinc/39/89/52/1069398952.db2.gz RUWNFHSAUIASEO-UHFFFAOYSA-N 1 0 418.542 -0.110 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)NCCN2CCNC(=O)C2)CC1)Cc1ccccc1 ZINC000512694709 1069398891 /nfs/dbraw/zinc/39/88/91/1069398891.db2.gz PUXHYWDRUFNEMN-UHFFFAOYSA-N 1 0 402.543 -0.123 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000512695769 1069399489 /nfs/dbraw/zinc/39/94/89/1069399489.db2.gz WMHFAMNEIHSTLY-MRXNPFEDSA-N 1 0 404.581 -0.464 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)C2)CC1 ZINC000512697295 1069399414 /nfs/dbraw/zinc/39/94/14/1069399414.db2.gz ACXJFYDYTYNZMY-IAGOWNOFSA-N 1 0 416.592 -0.321 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)C2)CC1 ZINC000512697296 1069399441 /nfs/dbraw/zinc/39/94/41/1069399441.db2.gz ACXJFYDYTYNZMY-SJORKVTESA-N 1 0 416.592 -0.321 20 0 HBADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000512697633 1069399577 /nfs/dbraw/zinc/39/95/77/1069399577.db2.gz DBNFCDVWMLSNOX-HUUCEWRRSA-N 1 0 405.565 -0.256 20 0 HBADRO C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000512697634 1069399630 /nfs/dbraw/zinc/39/96/30/1069399630.db2.gz DBNFCDVWMLSNOX-LSDHHAIUSA-N 1 0 405.565 -0.256 20 0 HBADRO O=C(NCCN1CCNC(=O)C1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000512699429 1069401119 /nfs/dbraw/zinc/40/11/19/1069401119.db2.gz QRHUEIUZAKNPAM-ROUUACIJSA-N 1 0 414.510 -0.684 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCN3CCNC(=O)C3)c2)C1 ZINC000512699688 1069401149 /nfs/dbraw/zinc/40/11/49/1069401149.db2.gz SWIIWSNSHFPJDN-GOSISDBHSA-N 1 0 416.526 -0.385 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCN3CCNC(=O)C3)c2)C1 ZINC000512699691 1069401761 /nfs/dbraw/zinc/40/17/61/1069401761.db2.gz SWIIWSNSHFPJDN-SFHVURJKSA-N 1 0 416.526 -0.385 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000512700350 1069401723 /nfs/dbraw/zinc/40/17/23/1069401723.db2.gz YSCNUHAWFKBURH-OAHLLOKOSA-N 1 0 405.565 -0.208 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000512700397 1069401824 /nfs/dbraw/zinc/40/18/24/1069401824.db2.gz ZCKQWAYWAKIPRI-HZPDHXFCSA-N 1 0 403.549 -0.379 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000512700398 1069401795 /nfs/dbraw/zinc/40/17/95/1069401795.db2.gz ZCKQWAYWAKIPRI-JKSUJKDBSA-N 1 0 403.549 -0.379 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512702093 1069402373 /nfs/dbraw/zinc/40/23/73/1069402373.db2.gz AJOWMKRFSDVESM-UHFFFAOYSA-N 1 0 410.563 -0.312 20 0 HBADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512702337 1069402521 /nfs/dbraw/zinc/40/25/21/1069402521.db2.gz DVCNWUVZXGNQNB-UHFFFAOYSA-N 1 0 408.547 -0.558 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000512703160 1069403047 /nfs/dbraw/zinc/40/30/47/1069403047.db2.gz PMQPPZBLWBBQQB-CVEARBPZSA-N 1 0 405.565 -0.351 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000512703161 1069402923 /nfs/dbraw/zinc/40/29/23/1069402923.db2.gz PMQPPZBLWBBQQB-HZPDHXFCSA-N 1 0 405.565 -0.351 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000512703683 1069402966 /nfs/dbraw/zinc/40/29/66/1069402966.db2.gz STPVFWUDFGJSCE-OAHLLOKOSA-N 1 0 405.565 -0.255 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000512704179 1069402987 /nfs/dbraw/zinc/40/29/87/1069402987.db2.gz XVBFOJWUXNLQHT-MRXNPFEDSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000512710854 1069405835 /nfs/dbraw/zinc/40/58/35/1069405835.db2.gz AUZLXQXSZZHIHZ-MRXNPFEDSA-N 1 0 418.608 -0.075 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000512764913 1069416218 /nfs/dbraw/zinc/41/62/18/1069416218.db2.gz NNDKRWKGZDTYNJ-AWEZNQCLSA-N 1 0 408.455 -0.713 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000512764914 1069416185 /nfs/dbraw/zinc/41/61/85/1069416185.db2.gz NNDKRWKGZDTYNJ-CQSZACIVSA-N 1 0 408.455 -0.713 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000512781490 1069420666 /nfs/dbraw/zinc/42/06/66/1069420666.db2.gz SDJPTHPXYVLKFP-UHFFFAOYSA-N 1 0 416.588 -0.197 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)CC1)N1CCOCC1 ZINC000512797975 1069721832 /nfs/dbraw/zinc/72/18/32/1069721832.db2.gz RYCPQTVLBSNZPS-HNNXBMFYSA-N 1 0 404.458 -0.450 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)CC1)N1CCOCC1 ZINC000512797977 1069722314 /nfs/dbraw/zinc/72/23/14/1069722314.db2.gz RYCPQTVLBSNZPS-OAHLLOKOSA-N 1 0 404.458 -0.450 20 0 HBADRO COCC[NH+](CCOC)C1CCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000512805524 1069422565 /nfs/dbraw/zinc/42/25/65/1069422565.db2.gz HYQXOMYCRSPKLY-CVEARBPZSA-N 1 0 405.561 -0.263 20 0 HBADRO COCC[NH+](CCOC)C1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000512805525 1069423161 /nfs/dbraw/zinc/42/31/61/1069423161.db2.gz HYQXOMYCRSPKLY-HOTGVXAUSA-N 1 0 405.561 -0.263 20 0 HBADRO COCC[NH+](CCOC)C1CCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000512805526 1069423125 /nfs/dbraw/zinc/42/31/25/1069423125.db2.gz HYQXOMYCRSPKLY-HZPDHXFCSA-N 1 0 405.561 -0.263 20 0 HBADRO COCC[NH+](CCOC)C1CCN([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000512805527 1069423057 /nfs/dbraw/zinc/42/30/57/1069423057.db2.gz HYQXOMYCRSPKLY-JKSUJKDBSA-N 1 0 405.561 -0.263 20 0 HBADRO COCC[NH+](CCOC)C1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000512806127 1069422398 /nfs/dbraw/zinc/42/23/98/1069422398.db2.gz QXUUJGYOCKTKON-UHFFFAOYSA-N 1 0 408.503 -0.481 20 0 HBADRO COCC[NH+](CCOC)C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000512811734 1069424636 /nfs/dbraw/zinc/42/46/36/1069424636.db2.gz KJTXFNJXGQAUAP-UHFFFAOYSA-N 1 0 422.530 -0.507 20 0 HBADRO CCOC1CC2(C1)CC[N@H+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000512817997 1069722091 /nfs/dbraw/zinc/72/20/91/1069722091.db2.gz OLSHBAMEANAROW-UHFFFAOYSA-N 1 0 408.543 -0.120 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cc(C(N)=O)no1 ZINC000512819368 1069424672 /nfs/dbraw/zinc/42/46/72/1069424672.db2.gz BORPGAPIQVLZJR-INIZCTEOSA-N 1 0 402.455 -0.138 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512820737 1069424465 /nfs/dbraw/zinc/42/44/65/1069424465.db2.gz NFEPNASFUPWLTQ-KRWDZBQOSA-N 1 0 419.592 -0.510 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512820738 1069424544 /nfs/dbraw/zinc/42/45/44/1069424544.db2.gz NFEPNASFUPWLTQ-QGZVFWFLSA-N 1 0 419.592 -0.510 20 0 HBADRO O=C(CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1)N1CCCC1 ZINC000512826490 1069425254 /nfs/dbraw/zinc/42/52/54/1069425254.db2.gz JLXAPBFECISYEL-UHFFFAOYSA-N 1 0 424.590 -0.674 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512826838 1069425453 /nfs/dbraw/zinc/42/54/53/1069425453.db2.gz KHQMZNBTDNAZLV-UHFFFAOYSA-N 1 0 405.565 -0.947 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000512828562 1069425881 /nfs/dbraw/zinc/42/58/81/1069425881.db2.gz POLAFVPNIMJTDY-IKGGRYGDSA-N 1 0 405.499 -0.392 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000512828564 1069426056 /nfs/dbraw/zinc/42/60/56/1069426056.db2.gz POLAFVPNIMJTDY-IXDOHACOSA-N 1 0 405.499 -0.392 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000512828566 1069425857 /nfs/dbraw/zinc/42/58/57/1069425857.db2.gz POLAFVPNIMJTDY-ULQDDVLXSA-N 1 0 405.499 -0.392 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000512828567 1069426009 /nfs/dbraw/zinc/42/60/09/1069426009.db2.gz POLAFVPNIMJTDY-YESZJQIVSA-N 1 0 405.499 -0.392 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1C(=O)CCC1=O ZINC000512833073 1069426116 /nfs/dbraw/zinc/42/61/16/1069426116.db2.gz KBVCDQRQFIDTAC-INIZCTEOSA-N 1 0 403.483 -0.276 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512839817 1069429705 /nfs/dbraw/zinc/42/97/05/1069429705.db2.gz SXWREXQPDMQLJM-UHFFFAOYSA-N 1 0 412.579 -0.772 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1C(=O)CNC1=O ZINC000512842504 1069429648 /nfs/dbraw/zinc/42/96/48/1069429648.db2.gz ZMJKGXMRJPIBOR-HNNXBMFYSA-N 1 0 404.471 -0.874 20 0 HBADRO COc1ccnc(N2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)n1 ZINC000512853580 1069430426 /nfs/dbraw/zinc/43/04/26/1069430426.db2.gz ZVQPXNDNANGRBH-UHFFFAOYSA-N 1 0 421.546 -0.293 20 0 HBADRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000512963290 1069441004 /nfs/dbraw/zinc/44/10/04/1069441004.db2.gz BWOGAEJAPNMECW-GFCCVEGCSA-N 1 0 408.455 -0.209 20 0 HBADRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000512963291 1069441577 /nfs/dbraw/zinc/44/15/77/1069441577.db2.gz BWOGAEJAPNMECW-LBPRGKRZSA-N 1 0 408.455 -0.209 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000512993881 1069446366 /nfs/dbraw/zinc/44/63/66/1069446366.db2.gz RQSCPHLWLRPOLG-UHFFFAOYSA-N 1 0 423.539 -0.228 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000513054456 1069455557 /nfs/dbraw/zinc/45/55/57/1069455557.db2.gz NHUOANNBNGMUEJ-INIZCTEOSA-N 1 0 421.523 -0.309 20 0 HBADRO CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000513055186 1069455047 /nfs/dbraw/zinc/45/50/47/1069455047.db2.gz YSBMQPXDUOXABD-MSOLQXFVSA-N 1 0 424.567 -0.489 20 0 HBADRO CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000513055187 1069455226 /nfs/dbraw/zinc/45/52/26/1069455226.db2.gz YSBMQPXDUOXABD-ROUUACIJSA-N 1 0 424.567 -0.489 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1C(N)=O ZINC000513076809 1069466470 /nfs/dbraw/zinc/46/64/70/1069466470.db2.gz RUQCUBQFLFAJHA-INIZCTEOSA-N 1 0 421.523 -0.309 20 0 HBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000513136616 1069479208 /nfs/dbraw/zinc/47/92/08/1069479208.db2.gz ZDDODYJOOUQFQC-HNNXBMFYSA-N 1 0 406.439 -0.124 20 0 HBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000513136617 1069479337 /nfs/dbraw/zinc/47/93/37/1069479337.db2.gz ZDDODYJOOUQFQC-OAHLLOKOSA-N 1 0 406.439 -0.124 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000513136674 1069479320 /nfs/dbraw/zinc/47/93/20/1069479320.db2.gz ZPKGQQSEIBPFKB-FQEVSTJZSA-N 1 0 421.586 -0.060 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000513136675 1069479270 /nfs/dbraw/zinc/47/92/70/1069479270.db2.gz ZPKGQQSEIBPFKB-HXUWFJFHSA-N 1 0 421.586 -0.060 20 0 HBADRO C[N@H+](CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000513178059 1069503183 /nfs/dbraw/zinc/50/31/83/1069503183.db2.gz KSSCMNFGWWVBHL-UHFFFAOYSA-N 1 0 402.904 -0.020 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513185909 1069504451 /nfs/dbraw/zinc/50/44/51/1069504451.db2.gz ZCUDFHYKQVUHOQ-UHFFFAOYSA-N 1 0 412.556 -0.043 20 0 HBADRO C[N@H+](CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000513195882 1069503324 /nfs/dbraw/zinc/50/33/24/1069503324.db2.gz JDJHLCVDQBSQCU-UHFFFAOYSA-N 1 0 408.524 -0.185 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000513199471 1069505370 /nfs/dbraw/zinc/50/53/70/1069505370.db2.gz PPQGBGRTHYGQRP-HNNXBMFYSA-N 1 0 400.545 -0.106 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000513199472 1069505493 /nfs/dbraw/zinc/50/54/93/1069505493.db2.gz PPQGBGRTHYGQRP-OAHLLOKOSA-N 1 0 400.545 -0.106 20 0 HBADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)cc1 ZINC000513201585 1069504307 /nfs/dbraw/zinc/50/43/07/1069504307.db2.gz OQOZBXSNIIPDBO-UHFFFAOYSA-N 1 0 412.512 -0.275 20 0 HBADRO C[N@H+](CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000513206453 1069505074 /nfs/dbraw/zinc/50/50/74/1069505074.db2.gz WNQSFDDDTHLHBZ-UHFFFAOYSA-N 1 0 404.439 -0.395 20 0 HBADRO CCN(C(=O)C[N@H+](C)CCC(N)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000513217956 1069505575 /nfs/dbraw/zinc/50/55/75/1069505575.db2.gz KNYYHXNBZZQQFX-UHFFFAOYSA-N 1 0 402.455 -0.261 20 0 HBADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000513218191 1069723203 /nfs/dbraw/zinc/72/32/03/1069723203.db2.gz LOKGNBHGIQSSPC-GOSISDBHSA-N 1 0 423.558 -0.630 20 0 HBADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000513218195 1069723089 /nfs/dbraw/zinc/72/30/89/1069723089.db2.gz LOKGNBHGIQSSPC-SFHVURJKSA-N 1 0 423.558 -0.630 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)cc1 ZINC000513219485 1069505633 /nfs/dbraw/zinc/50/56/33/1069505633.db2.gz SENTUGZBEWSZSC-UHFFFAOYSA-N 1 0 410.496 -0.471 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)c1 ZINC000513221456 1069505541 /nfs/dbraw/zinc/50/55/41/1069505541.db2.gz BQDCHTIJENPKCT-UHFFFAOYSA-N 1 0 410.496 -0.471 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000513253561 1069509991 /nfs/dbraw/zinc/50/99/91/1069509991.db2.gz BBSJEPCCJMXYBP-FQEVSTJZSA-N 1 0 422.482 -0.323 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000513253562 1069510028 /nfs/dbraw/zinc/51/00/28/1069510028.db2.gz BBSJEPCCJMXYBP-HXUWFJFHSA-N 1 0 422.482 -0.323 20 0 HBADRO COC(=O)c1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000513289738 1069512358 /nfs/dbraw/zinc/51/23/58/1069512358.db2.gz ROXYVSVSRCYXBH-UHFFFAOYSA-N 1 0 416.438 -0.075 20 0 HBADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000513323264 1069514809 /nfs/dbraw/zinc/51/48/09/1069514809.db2.gz GCIOFPHDHJILLM-IKGGRYGDSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000513323265 1069514757 /nfs/dbraw/zinc/51/47/57/1069514757.db2.gz GCIOFPHDHJILLM-IXDOHACOSA-N 1 0 413.540 -0.407 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513403940 1069520642 /nfs/dbraw/zinc/52/06/42/1069520642.db2.gz YVPDYBQOVCHPJC-KRWDZBQOSA-N 1 0 412.556 -0.044 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513403941 1069520793 /nfs/dbraw/zinc/52/07/93/1069520793.db2.gz YVPDYBQOVCHPJC-QGZVFWFLSA-N 1 0 412.556 -0.044 20 0 HBADRO O=C(C1CCCC1)N1CC(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000513420057 1069521940 /nfs/dbraw/zinc/52/19/40/1069521940.db2.gz HKJWGYOMFKZKTF-UHFFFAOYSA-N 1 0 416.588 -0.303 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSCC(=O)N1CCOCC1 ZINC000513434696 1069523855 /nfs/dbraw/zinc/52/38/55/1069523855.db2.gz OSBWUOJUNCXCFF-HNNXBMFYSA-N 1 0 400.545 -0.363 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CSCC(=O)N1CCOCC1 ZINC000513434697 1069523770 /nfs/dbraw/zinc/52/37/70/1069523770.db2.gz OSBWUOJUNCXCFF-OAHLLOKOSA-N 1 0 400.545 -0.363 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000513444110 1069524225 /nfs/dbraw/zinc/52/42/25/1069524225.db2.gz MAZHEDYIDJSKHV-INIZCTEOSA-N 1 0 411.528 -0.239 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000513444112 1069524400 /nfs/dbraw/zinc/52/44/00/1069524400.db2.gz MAZHEDYIDJSKHV-MRXNPFEDSA-N 1 0 411.528 -0.239 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000513445749 1069523803 /nfs/dbraw/zinc/52/38/03/1069523803.db2.gz XSRZUBABYGQFKF-INIZCTEOSA-N 1 0 411.528 -0.191 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000513445750 1069523823 /nfs/dbraw/zinc/52/38/23/1069523823.db2.gz XSRZUBABYGQFKF-MRXNPFEDSA-N 1 0 411.528 -0.191 20 0 HBADRO O=C(C[C@H]1NC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O)N1CCOCC1 ZINC000513456851 1069524815 /nfs/dbraw/zinc/52/48/15/1069524815.db2.gz SELWGMCALHNUDX-QZTJIDSGSA-N 1 0 416.478 -0.425 20 0 HBADRO O=C(C[C@H]1NC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O)N1CCOCC1 ZINC000513456852 1069524877 /nfs/dbraw/zinc/52/48/77/1069524877.db2.gz SELWGMCALHNUDX-ZWKOTPCHSA-N 1 0 416.478 -0.425 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000513458727 1069525892 /nfs/dbraw/zinc/52/58/92/1069525892.db2.gz TZCBNNBCDSRBQR-AWEZNQCLSA-N 1 0 404.515 -0.078 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000513458728 1069525744 /nfs/dbraw/zinc/52/57/44/1069525744.db2.gz TZCBNNBCDSRBQR-CQSZACIVSA-N 1 0 404.515 -0.078 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C(C)(C)C[NH+](C)C ZINC000513459191 1069525724 /nfs/dbraw/zinc/52/57/24/1069525724.db2.gz YEOFCVHAPHAFIB-GFCCVEGCSA-N 1 0 403.505 -0.697 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C(C)(C)C[NH+](C)C ZINC000513459192 1069525796 /nfs/dbraw/zinc/52/57/96/1069525796.db2.gz YEOFCVHAPHAFIB-LBPRGKRZSA-N 1 0 403.505 -0.697 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513477148 1069526370 /nfs/dbraw/zinc/52/63/70/1069526370.db2.gz QHPXYQNCLSDQGJ-INIZCTEOSA-N 1 0 411.547 -0.918 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513477153 1069526250 /nfs/dbraw/zinc/52/62/50/1069526250.db2.gz QHPXYQNCLSDQGJ-MRXNPFEDSA-N 1 0 411.547 -0.918 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)n1 ZINC000513477868 1069526844 /nfs/dbraw/zinc/52/68/44/1069526844.db2.gz VOCIECNPHYBXHH-AWEZNQCLSA-N 1 0 410.519 -0.047 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)n1 ZINC000513477869 1069526787 /nfs/dbraw/zinc/52/67/87/1069526787.db2.gz VOCIECNPHYBXHH-CQSZACIVSA-N 1 0 410.519 -0.047 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(C)(C)C[NH+](C)C ZINC000513487025 1069527709 /nfs/dbraw/zinc/52/77/09/1069527709.db2.gz YTIDGIZYZJUNMA-AWEZNQCLSA-N 1 0 404.515 -0.078 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(C)(C)C[NH+](C)C ZINC000513487026 1069527656 /nfs/dbraw/zinc/52/76/56/1069527656.db2.gz YTIDGIZYZJUNMA-CQSZACIVSA-N 1 0 404.515 -0.078 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513493169 1069527185 /nfs/dbraw/zinc/52/71/85/1069527185.db2.gz QWSHCPTUBOILMM-INIZCTEOSA-N 1 0 411.547 -0.918 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513493170 1069527143 /nfs/dbraw/zinc/52/71/43/1069527143.db2.gz QWSHCPTUBOILMM-MRXNPFEDSA-N 1 0 411.547 -0.918 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C[C@@H](C)O1 ZINC000513509605 1069528113 /nfs/dbraw/zinc/52/81/13/1069528113.db2.gz UFTKHVMSXMOLRN-JFIYKMOQSA-N 1 0 412.556 -0.074 20 0 HBADRO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C[C@H](C)O1 ZINC000513509606 1069528148 /nfs/dbraw/zinc/52/81/48/1069528148.db2.gz UFTKHVMSXMOLRN-JZXOWHBKSA-N 1 0 412.556 -0.074 20 0 HBADRO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C[C@@H](C)O1 ZINC000513509607 1069528055 /nfs/dbraw/zinc/52/80/55/1069528055.db2.gz UFTKHVMSXMOLRN-NUJGCVRESA-N 1 0 412.556 -0.074 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C[C@H](C)O1 ZINC000513509608 1069528085 /nfs/dbraw/zinc/52/80/85/1069528085.db2.gz UFTKHVMSXMOLRN-SOLBZPMBSA-N 1 0 412.556 -0.074 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c(C)c2)CC1 ZINC000513570349 1069532185 /nfs/dbraw/zinc/53/21/85/1069532185.db2.gz BSFJTDFDMYOXFW-UHFFFAOYSA-N 1 0 416.526 -0.377 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)CC1 ZINC000513579842 1069534063 /nfs/dbraw/zinc/53/40/63/1069534063.db2.gz JNLYQWIRSAWQQP-UHFFFAOYSA-N 1 0 416.526 -0.297 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 ZINC000513609026 1069537322 /nfs/dbraw/zinc/53/73/22/1069537322.db2.gz NKPMDNHYWCOFCA-UHFFFAOYSA-N 1 0 404.471 -0.937 20 0 HBADRO O=C(NCCN1CCNC(=O)C1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000513609548 1069537177 /nfs/dbraw/zinc/53/71/77/1069537177.db2.gz PRBMFYGQGMGBDU-UHFFFAOYSA-N 1 0 405.524 -0.278 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000513623000 1069536696 /nfs/dbraw/zinc/53/66/96/1069536696.db2.gz BHBCZXGXAZTPLL-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000513623001 1069536826 /nfs/dbraw/zinc/53/68/26/1069536826.db2.gz BHBCZXGXAZTPLL-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO O=C(NCCN1CCNC(=O)C1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000513624610 1069537164 /nfs/dbraw/zinc/53/71/64/1069537164.db2.gz LLCBMYNRKUQIRJ-UHFFFAOYSA-N 1 0 419.551 -0.236 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000513627581 1069538534 /nfs/dbraw/zinc/53/85/34/1069538534.db2.gz VHAUWEDBWLLUMM-UHFFFAOYSA-N 1 0 416.588 -0.341 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1Cl ZINC000513629257 1069538544 /nfs/dbraw/zinc/53/85/44/1069538544.db2.gz FPXWHXRXBOGFSF-UHFFFAOYSA-N 1 0 411.890 -0.233 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2)CC1 ZINC000513631194 1069537288 /nfs/dbraw/zinc/53/72/88/1069537288.db2.gz YEOOUWYIBSLSSY-UHFFFAOYSA-N 1 0 416.526 -0.689 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cn2)C[C@@H](C)O1 ZINC000513645263 1069539049 /nfs/dbraw/zinc/53/90/49/1069539049.db2.gz JNVJDAWVKVVBPE-BZUAXINKSA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cn2)C[C@@H](C)O1 ZINC000513645264 1069538986 /nfs/dbraw/zinc/53/89/86/1069538986.db2.gz JNVJDAWVKVVBPE-OAGGEKHMSA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cn2)C[C@H](C)O1 ZINC000513645265 1069539091 /nfs/dbraw/zinc/53/90/91/1069539091.db2.gz JNVJDAWVKVVBPE-OWCLPIDISA-N 1 0 420.514 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cn2)C[C@H](C)O1 ZINC000513645266 1069539131 /nfs/dbraw/zinc/53/91/31/1069539131.db2.gz JNVJDAWVKVVBPE-XHSDSOJGSA-N 1 0 420.514 -0.133 20 0 HBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cn2)CC1 ZINC000513646521 1069539525 /nfs/dbraw/zinc/53/95/25/1069539525.db2.gz ZCIHKESJVGYDOW-UHFFFAOYSA-N 1 0 404.471 -0.959 20 0 HBADRO Cn1cc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c(=O)n(C)c1=O ZINC000513662660 1069540024 /nfs/dbraw/zinc/54/00/24/1069540024.db2.gz YLZUSNJONHFKOE-UHFFFAOYSA-N 1 0 403.458 -0.229 20 0 HBADRO CNC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cn1C ZINC000513668591 1069539455 /nfs/dbraw/zinc/53/94/55/1069539455.db2.gz AOYVOOMJLKIRIX-UHFFFAOYSA-N 1 0 400.501 -0.062 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000513690151 1069541487 /nfs/dbraw/zinc/54/14/87/1069541487.db2.gz HMWXXKHDMLQUKH-IBGZPJMESA-N 1 0 410.540 -0.084 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000513690152 1069541362 /nfs/dbraw/zinc/54/13/62/1069541362.db2.gz HMWXXKHDMLQUKH-LJQANCHMSA-N 1 0 410.540 -0.084 20 0 HBADRO CCc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513691762 1069542104 /nfs/dbraw/zinc/54/21/04/1069542104.db2.gz HDCFZPDJNIIPKJ-UHFFFAOYSA-N 1 0 416.482 -0.959 20 0 HBADRO NS(=O)(=O)c1ccccc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000513698619 1069543062 /nfs/dbraw/zinc/54/30/62/1069543062.db2.gz CQKAWGYBQCBVIC-UHFFFAOYSA-N 1 0 409.512 -0.216 20 0 HBADRO CCc1c(C(=O)NCCCN2CC[NH+](CC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513712348 1069558583 /nfs/dbraw/zinc/55/85/83/1069558583.db2.gz XBXSUBIPHJEFBX-UHFFFAOYSA-N 1 0 416.526 -0.048 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1 ZINC000513716255 1069565673 /nfs/dbraw/zinc/56/56/73/1069565673.db2.gz ZCIDJMAEIABBKN-HNNXBMFYSA-N 1 0 409.512 -0.218 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1 ZINC000513716256 1069565755 /nfs/dbraw/zinc/56/57/55/1069565755.db2.gz ZCIDJMAEIABBKN-OAHLLOKOSA-N 1 0 409.512 -0.218 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)CCO1 ZINC000513724918 1069578644 /nfs/dbraw/zinc/57/86/44/1069578644.db2.gz KKSLRSQPUMNREI-CYBMUJFWSA-N 1 0 401.467 -0.043 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)CCO1 ZINC000513724920 1069578685 /nfs/dbraw/zinc/57/86/85/1069578685.db2.gz KKSLRSQPUMNREI-ZDUSSCGKSA-N 1 0 401.467 -0.043 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)CCO1 ZINC000513727915 1069583797 /nfs/dbraw/zinc/58/37/97/1069583797.db2.gz BZPOMRWFBDWVSO-CYBMUJFWSA-N 1 0 401.467 -0.043 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)CCO1 ZINC000513727916 1069583825 /nfs/dbraw/zinc/58/38/25/1069583825.db2.gz BZPOMRWFBDWVSO-ZDUSSCGKSA-N 1 0 401.467 -0.043 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)CCO1 ZINC000513741422 1069604753 /nfs/dbraw/zinc/60/47/53/1069604753.db2.gz MRAYIUFMANCIOF-CYBMUJFWSA-N 1 0 404.471 -0.855 20 0 HBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)CCO1 ZINC000513741423 1069604835 /nfs/dbraw/zinc/60/48/35/1069604835.db2.gz MRAYIUFMANCIOF-ZDUSSCGKSA-N 1 0 404.471 -0.855 20 0 HBADRO CCc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513774383 1069653830 /nfs/dbraw/zinc/65/38/30/1069653830.db2.gz YKYUVLWASWDNBB-AWEZNQCLSA-N 1 0 416.482 -0.736 20 0 HBADRO CCc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513774384 1069653882 /nfs/dbraw/zinc/65/38/82/1069653882.db2.gz YKYUVLWASWDNBB-CQSZACIVSA-N 1 0 416.482 -0.736 20 0 HBADRO CCc1c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777114 1069654512 /nfs/dbraw/zinc/65/45/12/1069654512.db2.gz POBKGLSOJWLXSM-CYBMUJFWSA-N 1 0 402.499 -0.440 20 0 HBADRO CCc1c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777115 1069654381 /nfs/dbraw/zinc/65/43/81/1069654381.db2.gz POBKGLSOJWLXSM-ZDUSSCGKSA-N 1 0 402.499 -0.440 20 0 HBADRO CCc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777287 1069654428 /nfs/dbraw/zinc/65/44/28/1069654428.db2.gz SFSDNGZNGNHUFZ-CYBMUJFWSA-N 1 0 402.499 -0.440 20 0 HBADRO CCc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777288 1069654353 /nfs/dbraw/zinc/65/43/53/1069654353.db2.gz SFSDNGZNGNHUFZ-ZDUSSCGKSA-N 1 0 402.499 -0.440 20 0 HBADRO CCc1c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777550 1069654405 /nfs/dbraw/zinc/65/44/05/1069654405.db2.gz WYGHFNPQOWKVKM-UHFFFAOYSA-N 1 0 416.526 -0.096 20 0 HBADRO CCc1c(C(=O)N2CCC[N@H+](CCOC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513777668 1069654479 /nfs/dbraw/zinc/65/44/79/1069654479.db2.gz YXHYEJIGKRJHCU-UHFFFAOYSA-N 1 0 403.483 -0.011 20 0 HBADRO CCc1c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513779206 1069655300 /nfs/dbraw/zinc/65/53/00/1069655300.db2.gz AIBPJVIRYJFAQB-AWEZNQCLSA-N 1 0 416.526 -0.192 20 0 HBADRO CCc1c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513779207 1069655181 /nfs/dbraw/zinc/65/51/81/1069655181.db2.gz AIBPJVIRYJFAQB-CQSZACIVSA-N 1 0 416.526 -0.192 20 0 HBADRO CCc1c(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513779793 1069655985 /nfs/dbraw/zinc/65/59/85/1069655985.db2.gz LJKFNZCMTBAIEK-AWEZNQCLSA-N 1 0 416.526 -0.050 20 0 HBADRO CCc1c(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513779794 1069656058 /nfs/dbraw/zinc/65/60/58/1069656058.db2.gz LJKFNZCMTBAIEK-CQSZACIVSA-N 1 0 416.526 -0.050 20 0 HBADRO CCc1c(C(=O)NCCN2CC[NH+](CC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513780121 1069656651 /nfs/dbraw/zinc/65/66/51/1069656651.db2.gz QOXPVOSHNRRGTD-UHFFFAOYSA-N 1 0 402.499 -0.438 20 0 HBADRO CCc1c(C(=O)NCCCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513805334 1069702311 /nfs/dbraw/zinc/70/23/11/1069702311.db2.gz PAHOJXQHKPPHCB-UHFFFAOYSA-N 1 0 402.499 -0.438 20 0 HBADRO CCc1c(C(=O)N2CCN(CC[NH+](C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513810962 1069707002 /nfs/dbraw/zinc/70/70/02/1069707002.db2.gz KGWPUWSYNPPIQE-UHFFFAOYSA-N 1 0 402.499 -0.486 20 0 HBADRO O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513817548 1069765212 /nfs/dbraw/zinc/76/52/12/1069765212.db2.gz JTCZXEFHOJYMLG-INIZCTEOSA-N 1 0 416.544 -0.566 20 0 HBADRO O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513817549 1069764994 /nfs/dbraw/zinc/76/49/94/1069764994.db2.gz JTCZXEFHOJYMLG-MRXNPFEDSA-N 1 0 416.544 -0.566 20 0 HBADRO CN1CCN(C(=O)CCN2CCC[N@H+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000513962818 1069780316 /nfs/dbraw/zinc/78/03/16/1069780316.db2.gz GFYMAWBSFPKYMX-UHFFFAOYSA-N 1 0 408.591 -0.678 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000513969269 1069780258 /nfs/dbraw/zinc/78/02/58/1069780258.db2.gz SLXUPIJBAKIOOV-AWEZNQCLSA-N 1 0 402.542 -0.263 20 0 HBADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000513969270 1069780204 /nfs/dbraw/zinc/78/02/04/1069780204.db2.gz SLXUPIJBAKIOOV-CQSZACIVSA-N 1 0 402.542 -0.263 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000514003696 1069782579 /nfs/dbraw/zinc/78/25/79/1069782579.db2.gz SJZXYMJZMOSWJW-HNNXBMFYSA-N 1 0 403.549 -0.455 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000514003697 1069782389 /nfs/dbraw/zinc/78/23/89/1069782389.db2.gz SJZXYMJZMOSWJW-OAHLLOKOSA-N 1 0 403.549 -0.455 20 0 HBADRO CCc1c(C(=O)NCCC[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514004641 1069783039 /nfs/dbraw/zinc/78/30/39/1069783039.db2.gz OWHHZDIIDJNVRP-UHFFFAOYSA-N 1 0 403.483 -0.229 20 0 HBADRO CC(C)[NH+]1CCC(N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514005860 1069783231 /nfs/dbraw/zinc/78/32/31/1069783231.db2.gz UGLLEYBDHLZABQ-UHFFFAOYSA-N 1 0 409.575 -0.206 20 0 HBADRO CCc1c(C(=O)NCCN2CCC([NH+](C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514006274 1069783222 /nfs/dbraw/zinc/78/32/22/1069783222.db2.gz FFCIKNXVSUORBT-UHFFFAOYSA-N 1 0 416.526 -0.050 20 0 HBADRO Cc1c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cccc1S(N)(=O)=O ZINC000514007188 1069783767 /nfs/dbraw/zinc/78/37/67/1069783767.db2.gz BROJCFNFQDVOMG-UHFFFAOYSA-N 1 0 408.484 -0.231 20 0 HBADRO CCc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514007935 1069783970 /nfs/dbraw/zinc/78/39/70/1069783970.db2.gz WDCLYIHYDHPUAE-AWEZNQCLSA-N 1 0 415.494 -0.011 20 0 HBADRO CCc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514007936 1069783871 /nfs/dbraw/zinc/78/38/71/1069783871.db2.gz WDCLYIHYDHPUAE-CQSZACIVSA-N 1 0 415.494 -0.011 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000514020226 1069785987 /nfs/dbraw/zinc/78/59/87/1069785987.db2.gz MNJNIEIFDZJUTI-UHFFFAOYSA-N 1 0 417.576 -0.100 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000514020661 1069786003 /nfs/dbraw/zinc/78/60/03/1069786003.db2.gz QROMLMPBZFLWRM-UHFFFAOYSA-N 1 0 415.560 -0.392 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514026026 1069784516 /nfs/dbraw/zinc/78/45/16/1069784516.db2.gz BYYNVBLPZVSJMK-INIZCTEOSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514026027 1069784608 /nfs/dbraw/zinc/78/46/08/1069784608.db2.gz BYYNVBLPZVSJMK-MRXNPFEDSA-N 1 0 417.576 -0.100 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000514112530 1069791721 /nfs/dbraw/zinc/79/17/21/1069791721.db2.gz ZEMXLAIWWOPJHW-UHFFFAOYSA-N 1 0 403.531 -0.157 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCOC2)O1 ZINC000514302344 1069809463 /nfs/dbraw/zinc/80/94/63/1069809463.db2.gz AAEWIMNEYPUEED-HRAATJIYSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000514302349 1069809381 /nfs/dbraw/zinc/80/93/81/1069809381.db2.gz AAEWIMNEYPUEED-IERDGZPVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCOC2)O1 ZINC000514302352 1069810427 /nfs/dbraw/zinc/81/04/27/1069810427.db2.gz AAEWIMNEYPUEED-IIBYNOLFSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCOC2)O1 ZINC000514302354 1069809908 /nfs/dbraw/zinc/80/99/08/1069809908.db2.gz AAEWIMNEYPUEED-KKSFZXQISA-N 1 0 417.510 -0.144 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000514302797 1069808862 /nfs/dbraw/zinc/80/88/62/1069808862.db2.gz DCTCFDCLNRSNBW-UHFFFAOYSA-N 1 0 422.574 -0.077 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nnc2ccccn21 ZINC000514303316 1069809836 /nfs/dbraw/zinc/80/98/36/1069809836.db2.gz HNUFVCKYHOBUHY-CABCVRRESA-N 1 0 413.482 -0.329 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nnc2ccccn21 ZINC000514303320 1069809508 /nfs/dbraw/zinc/80/95/08/1069809508.db2.gz HNUFVCKYHOBUHY-GJZGRUSLSA-N 1 0 413.482 -0.329 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nnc2ccccn21 ZINC000514303321 1069810032 /nfs/dbraw/zinc/81/00/32/1069810032.db2.gz HNUFVCKYHOBUHY-HUUCEWRRSA-N 1 0 413.482 -0.329 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nnc2ccccn21 ZINC000514303322 1069810186 /nfs/dbraw/zinc/81/01/86/1069810186.db2.gz HNUFVCKYHOBUHY-LSDHHAIUSA-N 1 0 413.482 -0.329 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000514303588 1069810249 /nfs/dbraw/zinc/81/02/49/1069810249.db2.gz JAGARKGOVRTEFR-UHFFFAOYSA-N 1 0 407.515 -0.826 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514304182 1069809692 /nfs/dbraw/zinc/80/96/92/1069809692.db2.gz MYWQKPCAEJPKQV-GOSISDBHSA-N 1 0 401.511 -0.343 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514304183 1069810303 /nfs/dbraw/zinc/81/03/03/1069810303.db2.gz MYWQKPCAEJPKQV-SFHVURJKSA-N 1 0 401.511 -0.343 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000514304824 1069809594 /nfs/dbraw/zinc/80/95/94/1069809594.db2.gz TVBSZORJHDBFMG-UHFFFAOYSA-N 1 0 415.494 -0.686 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000514308224 1069811790 /nfs/dbraw/zinc/81/17/90/1069811790.db2.gz QAJGWCMKZWCPOD-KRWDZBQOSA-N 1 0 407.559 -0.155 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000514308230 1069811592 /nfs/dbraw/zinc/81/15/92/1069811592.db2.gz QAJGWCMKZWCPOD-QGZVFWFLSA-N 1 0 407.559 -0.155 20 0 HBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000514310343 1069812330 /nfs/dbraw/zinc/81/23/30/1069812330.db2.gz WCNZVMNJDGSIRY-UHFFFAOYSA-N 1 0 401.511 -0.099 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000514313397 1069815483 /nfs/dbraw/zinc/81/54/83/1069815483.db2.gz AJIFAFGJGDPOQO-INIZCTEOSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000514313402 1069815684 /nfs/dbraw/zinc/81/56/84/1069815684.db2.gz AJIFAFGJGDPOQO-MRXNPFEDSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514313538 1069815792 /nfs/dbraw/zinc/81/57/92/1069815792.db2.gz PWPBIKCYPGHOST-DLBZAZTESA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514313541 1069815847 /nfs/dbraw/zinc/81/58/47/1069815847.db2.gz PWPBIKCYPGHOST-IAGOWNOFSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514313542 1069815733 /nfs/dbraw/zinc/81/57/33/1069815733.db2.gz PWPBIKCYPGHOST-IRXDYDNUSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514313543 1069815426 /nfs/dbraw/zinc/81/54/26/1069815426.db2.gz PWPBIKCYPGHOST-SJORKVTESA-N 1 0 405.543 -0.116 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000514319368 1069816836 /nfs/dbraw/zinc/81/68/36/1069816836.db2.gz NBLDJUOVXBLRTH-CVEARBPZSA-N 1 0 404.515 -0.170 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000514319369 1069816506 /nfs/dbraw/zinc/81/65/06/1069816506.db2.gz NBLDJUOVXBLRTH-HOTGVXAUSA-N 1 0 404.515 -0.170 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000514319370 1069816594 /nfs/dbraw/zinc/81/65/94/1069816594.db2.gz NBLDJUOVXBLRTH-HZPDHXFCSA-N 1 0 404.515 -0.170 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000514319371 1069816796 /nfs/dbraw/zinc/81/67/96/1069816796.db2.gz NBLDJUOVXBLRTH-JKSUJKDBSA-N 1 0 404.515 -0.170 20 0 HBADRO CC[NH+]1CCN(CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000514320286 1069815541 /nfs/dbraw/zinc/81/55/41/1069815541.db2.gz DTAFRBLLZBGQBI-UHFFFAOYSA-N 1 0 410.519 -0.196 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000514321598 1069816547 /nfs/dbraw/zinc/81/65/47/1069816547.db2.gz JVWRGOZQVPUGRT-GOSISDBHSA-N 1 0 417.510 -0.582 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000514321599 1069816753 /nfs/dbraw/zinc/81/67/53/1069816753.db2.gz JVWRGOZQVPUGRT-SFHVURJKSA-N 1 0 417.510 -0.582 20 0 HBADRO CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000514324270 1069817943 /nfs/dbraw/zinc/81/79/43/1069817943.db2.gz BHLPFVHBWLYDRD-INIZCTEOSA-N 1 0 416.526 -0.334 20 0 HBADRO CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000514324271 1069817241 /nfs/dbraw/zinc/81/72/41/1069817241.db2.gz BHLPFVHBWLYDRD-MRXNPFEDSA-N 1 0 416.526 -0.334 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000514325365 1069818907 /nfs/dbraw/zinc/81/89/07/1069818907.db2.gz RRHSZOLCVQCCFF-INIZCTEOSA-N 1 0 424.523 -0.320 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000514325366 1069818692 /nfs/dbraw/zinc/81/86/92/1069818692.db2.gz RRHSZOLCVQCCFF-MRXNPFEDSA-N 1 0 424.523 -0.320 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCCC1 ZINC000514407143 1069837671 /nfs/dbraw/zinc/83/76/71/1069837671.db2.gz PSDZNUWNCUTASG-UHFFFAOYSA-N 1 0 402.499 -0.180 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H](C)C1 ZINC000514408477 1069838748 /nfs/dbraw/zinc/83/87/48/1069838748.db2.gz AJDNJTPQYOYDOK-DLBZAZTESA-N 1 0 422.534 -0.336 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H](C)C1 ZINC000514408478 1069838887 /nfs/dbraw/zinc/83/88/87/1069838887.db2.gz AJDNJTPQYOYDOK-IAGOWNOFSA-N 1 0 422.534 -0.336 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H](C)C1 ZINC000514408479 1069838510 /nfs/dbraw/zinc/83/85/10/1069838510.db2.gz AJDNJTPQYOYDOK-IRXDYDNUSA-N 1 0 422.534 -0.336 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H](C)C1 ZINC000514408480 1069839839 /nfs/dbraw/zinc/83/98/39/1069839839.db2.gz AJDNJTPQYOYDOK-SJORKVTESA-N 1 0 422.534 -0.336 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514409084 1069839126 /nfs/dbraw/zinc/83/91/26/1069839126.db2.gz FRIYCBOSRCVQPX-KSZLIROESA-N 1 0 402.495 -0.100 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514409085 1069838801 /nfs/dbraw/zinc/83/88/01/1069838801.db2.gz FRIYCBOSRCVQPX-KURKYZTESA-N 1 0 402.495 -0.100 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514409086 1069838559 /nfs/dbraw/zinc/83/85/59/1069838559.db2.gz FRIYCBOSRCVQPX-KZNAEPCWSA-N 1 0 402.495 -0.100 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514409087 1069838965 /nfs/dbraw/zinc/83/89/65/1069838965.db2.gz FRIYCBOSRCVQPX-RCCFBDPRSA-N 1 0 402.495 -0.100 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000514410369 1069839780 /nfs/dbraw/zinc/83/97/80/1069839780.db2.gz WQVCOOGCKCIVJL-GOSISDBHSA-N 1 0 410.540 -0.553 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000514410415 1069840447 /nfs/dbraw/zinc/84/04/47/1069840447.db2.gz WQVCOOGCKCIVJL-SFHVURJKSA-N 1 0 410.540 -0.553 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCC1 ZINC000514410492 1069840307 /nfs/dbraw/zinc/84/03/07/1069840307.db2.gz XREGXFRPAPUMNY-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO C[C@H](CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000514412459 1069840530 /nfs/dbraw/zinc/84/05/30/1069840530.db2.gz OQMQCFXYEGBFEP-CYBMUJFWSA-N 1 0 416.482 -0.049 20 0 HBADRO C[C@@H](CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000514412464 1069841318 /nfs/dbraw/zinc/84/13/18/1069841318.db2.gz OQMQCFXYEGBFEP-ZDUSSCGKSA-N 1 0 416.482 -0.049 20 0 HBADRO CC(=O)NC1CCC([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514418838 1069724087 /nfs/dbraw/zinc/72/40/87/1069724087.db2.gz DGQAKLYKSNGERB-UHFFFAOYSA-N 1 0 423.558 -0.632 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000514425506 1069842639 /nfs/dbraw/zinc/84/26/39/1069842639.db2.gz KYBQBWBTDDJTSR-UHFFFAOYSA-N 1 0 418.498 -0.574 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)CC1=O ZINC000514427469 1069841380 /nfs/dbraw/zinc/84/13/80/1069841380.db2.gz RUTOOFOANWOGHK-GFCCVEGCSA-N 1 0 406.447 -0.917 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)CC1=O ZINC000514427470 1069841522 /nfs/dbraw/zinc/84/15/22/1069841522.db2.gz RUTOOFOANWOGHK-LBPRGKRZSA-N 1 0 406.447 -0.917 20 0 HBADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)NCC(=O)N3CCCCC3)CC2)nc1 ZINC000514436749 1069848138 /nfs/dbraw/zinc/84/81/38/1069848138.db2.gz FTDYDCLTSXGDMQ-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000514437052 1069848248 /nfs/dbraw/zinc/84/82/48/1069848248.db2.gz KMFMDIYHMLNTBS-UHFFFAOYSA-N 1 0 402.499 -0.323 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000514439951 1069849401 /nfs/dbraw/zinc/84/94/01/1069849401.db2.gz HSRNZYJHYJRIPQ-MOPGFXCFSA-N 1 0 409.575 -0.110 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000514439957 1069848968 /nfs/dbraw/zinc/84/89/68/1069848968.db2.gz HSRNZYJHYJRIPQ-OALUTQOASA-N 1 0 409.575 -0.110 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000514439958 1069849271 /nfs/dbraw/zinc/84/92/71/1069849271.db2.gz HSRNZYJHYJRIPQ-RBUKOAKNSA-N 1 0 409.575 -0.110 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000514439960 1069849180 /nfs/dbraw/zinc/84/91/80/1069849180.db2.gz HSRNZYJHYJRIPQ-RTBURBONSA-N 1 0 409.575 -0.110 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000514441932 1069844094 /nfs/dbraw/zinc/84/40/94/1069844094.db2.gz NWRSYZRFELFXIZ-GOEBONIOSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000514442989 1069845175 /nfs/dbraw/zinc/84/51/75/1069845175.db2.gz FATPTSYCUMBIEF-HKUYNNGSSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000514442991 1069844695 /nfs/dbraw/zinc/84/46/95/1069844695.db2.gz FATPTSYCUMBIEF-IEBWSBKVSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000514442992 1069844454 /nfs/dbraw/zinc/84/44/54/1069844454.db2.gz FATPTSYCUMBIEF-MJGOQNOKSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000514442994 1069844891 /nfs/dbraw/zinc/84/48/91/1069844891.db2.gz FATPTSYCUMBIEF-PKOBYXMFSA-N 1 0 415.538 -0.097 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000514443381 1069723656 /nfs/dbraw/zinc/72/36/56/1069723656.db2.gz LZCKZAMUFQASCH-UHFFFAOYSA-N 1 0 416.526 -0.211 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000514444089 1069845229 /nfs/dbraw/zinc/84/52/29/1069845229.db2.gz YGQJIYVIEUIKSP-AWEZNQCLSA-N 1 0 405.503 -0.586 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000514444090 1069845103 /nfs/dbraw/zinc/84/51/03/1069845103.db2.gz YGQJIYVIEUIKSP-CQSZACIVSA-N 1 0 405.503 -0.586 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000514445343 1069845492 /nfs/dbraw/zinc/84/54/92/1069845492.db2.gz IFEGEFRDJAAXDD-KRWDZBQOSA-N 1 0 405.474 -0.528 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000514445344 1069845597 /nfs/dbraw/zinc/84/55/97/1069845597.db2.gz IFEGEFRDJAAXDD-QGZVFWFLSA-N 1 0 405.474 -0.528 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)NCC(=O)NCC[NH+]3CCCCCC3)OCC(=O)N2C)cn1 ZINC000514447457 1069850012 /nfs/dbraw/zinc/85/00/12/1069850012.db2.gz CIJNNXGHVYDEMM-RBUKOAKNSA-N 1 0 420.514 -0.573 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)cnc21 ZINC000514447709 1069850209 /nfs/dbraw/zinc/85/02/09/1069850209.db2.gz MKKPPVDIUXMJEK-UHFFFAOYSA-N 1 0 402.455 -0.244 20 0 HBADRO CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000514458115 1069849892 /nfs/dbraw/zinc/84/98/92/1069849892.db2.gz DWIXXUNIUOHZAR-UHFFFAOYSA-N 1 0 402.565 -0.710 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000514486227 1069851858 /nfs/dbraw/zinc/85/18/58/1069851858.db2.gz RLTHTSKMBWEXSY-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)cn2)CC1 ZINC000514592094 1069868579 /nfs/dbraw/zinc/86/85/79/1069868579.db2.gz KIQFRNQSTRZWAQ-UHFFFAOYSA-N 1 0 414.510 -0.327 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000514592839 1069868522 /nfs/dbraw/zinc/86/85/22/1069868522.db2.gz NSKFNGWETHXQTB-UHFFFAOYSA-N 1 0 401.489 -0.942 20 0 HBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000514607873 1069870171 /nfs/dbraw/zinc/87/01/71/1069870171.db2.gz DVRREEGYZNHVOO-INIZCTEOSA-N 1 0 411.547 -0.741 20 0 HBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514607876 1069870471 /nfs/dbraw/zinc/87/04/71/1069870471.db2.gz DVRREEGYZNHVOO-MRXNPFEDSA-N 1 0 411.547 -0.741 20 0 HBADRO COC[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000514619836 1069871287 /nfs/dbraw/zinc/87/12/87/1069871287.db2.gz RTPCZTLZFQTZHG-DLBZAZTESA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000514619837 1069870995 /nfs/dbraw/zinc/87/09/95/1069870995.db2.gz RTPCZTLZFQTZHG-IAGOWNOFSA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCO1 ZINC000514619838 1069871444 /nfs/dbraw/zinc/87/14/44/1069871444.db2.gz RTPCZTLZFQTZHG-IRXDYDNUSA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCO1 ZINC000514619839 1069871090 /nfs/dbraw/zinc/87/10/90/1069871090.db2.gz RTPCZTLZFQTZHG-SJORKVTESA-N 1 0 405.499 -0.240 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000514622763 1069871034 /nfs/dbraw/zinc/87/10/34/1069871034.db2.gz QSPGBLWDIQFQOW-UHFFFAOYSA-N 1 0 404.533 -0.903 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000514623743 1069872218 /nfs/dbraw/zinc/87/22/18/1069872218.db2.gz ZEGGYDBJYHNIPV-UHFFFAOYSA-N 1 0 421.542 -0.570 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000514626940 1069872061 /nfs/dbraw/zinc/87/20/61/1069872061.db2.gz MVHFDBIENMPBKQ-UHFFFAOYSA-N 1 0 418.498 -0.331 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000514626992 1069598180 /nfs/dbraw/zinc/59/81/80/1069598180.db2.gz ORHXUZZJTBCOSL-UHFFFAOYSA-N 1 0 408.503 -0.086 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000514632535 1069874056 /nfs/dbraw/zinc/87/40/56/1069874056.db2.gz PAFWTAHESGNFLY-GJZGRUSLSA-N 1 0 420.514 -0.433 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000514632536 1069874225 /nfs/dbraw/zinc/87/42/25/1069874225.db2.gz PAFWTAHESGNFLY-LSDHHAIUSA-N 1 0 420.514 -0.433 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000514638716 1069873465 /nfs/dbraw/zinc/87/34/65/1069873465.db2.gz KRGOQDHTICNOFU-UHFFFAOYSA-N 1 0 414.528 -0.131 20 0 HBADRO COCC[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000514649660 1069875025 /nfs/dbraw/zinc/87/50/25/1069875025.db2.gz IAAKFHFEWKZOQP-HNNXBMFYSA-N 1 0 411.528 -0.192 20 0 HBADRO COCC[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000514649661 1069875418 /nfs/dbraw/zinc/87/54/18/1069875418.db2.gz IAAKFHFEWKZOQP-OAHLLOKOSA-N 1 0 411.528 -0.192 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514691487 1069879133 /nfs/dbraw/zinc/87/91/33/1069879133.db2.gz VGKUREWSONQTKC-IYBDPMFKSA-N 1 0 412.531 -0.302 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000514694285 1069880079 /nfs/dbraw/zinc/88/00/79/1069880079.db2.gz YUXPLPCPDDBZIO-UHFFFAOYSA-N 1 0 410.540 -0.099 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)o1 ZINC000514696044 1069880208 /nfs/dbraw/zinc/88/02/08/1069880208.db2.gz IOGJDTLPFDWZGE-UHFFFAOYSA-N 1 0 417.484 -0.133 20 0 HBADRO C[NH+](C)CC1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCC1 ZINC000514697531 1069880139 /nfs/dbraw/zinc/88/01/39/1069880139.db2.gz ZCHBMORVEFSLPI-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CCN2C1=O ZINC000514734337 1069889353 /nfs/dbraw/zinc/88/93/53/1069889353.db2.gz BMSMSNGAXYKGOV-BBRMVZONSA-N 1 0 408.480 -0.724 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CCN2C1=O ZINC000514734338 1069888936 /nfs/dbraw/zinc/88/89/36/1069888936.db2.gz BMSMSNGAXYKGOV-CJNGLKHVSA-N 1 0 408.480 -0.724 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CCN2C1=O ZINC000514734339 1069889250 /nfs/dbraw/zinc/88/92/50/1069889250.db2.gz BMSMSNGAXYKGOV-CZUORRHYSA-N 1 0 408.480 -0.724 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CCN2C1=O ZINC000514734340 1069889396 /nfs/dbraw/zinc/88/93/96/1069889396.db2.gz BMSMSNGAXYKGOV-XJKSGUPXSA-N 1 0 408.480 -0.724 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000514741862 1069886185 /nfs/dbraw/zinc/88/61/85/1069886185.db2.gz RIQPDNYPKYAHPE-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000514741863 1069886569 /nfs/dbraw/zinc/88/65/69/1069886569.db2.gz RIQPDNYPKYAHPE-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CC1 ZINC000514742154 1069886207 /nfs/dbraw/zinc/88/62/07/1069886207.db2.gz KTVZMACGXPQNSC-IBGZPJMESA-N 1 0 409.575 -0.157 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000514742155 1069886526 /nfs/dbraw/zinc/88/65/26/1069886526.db2.gz KTVZMACGXPQNSC-LJQANCHMSA-N 1 0 409.575 -0.157 20 0 HBADRO Cc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514797944 1069897846 /nfs/dbraw/zinc/89/78/46/1069897846.db2.gz FCMVFXKIALRNLS-CVEARBPZSA-N 1 0 422.507 -0.600 20 0 HBADRO Cc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514797945 1069897394 /nfs/dbraw/zinc/89/73/94/1069897394.db2.gz FCMVFXKIALRNLS-HOTGVXAUSA-N 1 0 422.507 -0.600 20 0 HBADRO Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514797946 1069897312 /nfs/dbraw/zinc/89/73/12/1069897312.db2.gz FCMVFXKIALRNLS-HZPDHXFCSA-N 1 0 422.507 -0.600 20 0 HBADRO Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000514797947 1069897543 /nfs/dbraw/zinc/89/75/43/1069897543.db2.gz FCMVFXKIALRNLS-JKSUJKDBSA-N 1 0 422.507 -0.600 20 0 HBADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000514802164 1069897798 /nfs/dbraw/zinc/89/77/98/1069897798.db2.gz INHFTTIKHFSION-UHFFFAOYSA-N 1 0 404.515 -0.272 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CCSC1 ZINC000514803345 1069897592 /nfs/dbraw/zinc/89/75/92/1069897592.db2.gz YJPXKNOBRJTCSO-KRWDZBQOSA-N 1 0 414.553 -0.365 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CCSC1 ZINC000514803346 1069897826 /nfs/dbraw/zinc/89/78/26/1069897826.db2.gz YJPXKNOBRJTCSO-QGZVFWFLSA-N 1 0 414.553 -0.365 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC(=O)N1C ZINC000514805401 1069898584 /nfs/dbraw/zinc/89/85/84/1069898584.db2.gz CYYZYVXXEBSNGB-HNNXBMFYSA-N 1 0 402.495 -0.051 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC(=O)N1C ZINC000514805402 1069898408 /nfs/dbraw/zinc/89/84/08/1069898408.db2.gz CYYZYVXXEBSNGB-OAHLLOKOSA-N 1 0 402.495 -0.051 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000514851136 1069902650 /nfs/dbraw/zinc/90/26/50/1069902650.db2.gz VDXRWNZRMDZVRZ-GOSISDBHSA-N 1 0 417.558 -0.049 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000514851137 1069902540 /nfs/dbraw/zinc/90/25/40/1069902540.db2.gz VDXRWNZRMDZVRZ-SFHVURJKSA-N 1 0 417.558 -0.049 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC000514879925 1069904757 /nfs/dbraw/zinc/90/47/57/1069904757.db2.gz CWUMOSRDWNRPSS-DLBZAZTESA-N 1 0 423.558 -0.239 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC000514879926 1069904994 /nfs/dbraw/zinc/90/49/94/1069904994.db2.gz CWUMOSRDWNRPSS-IAGOWNOFSA-N 1 0 423.558 -0.239 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC000514879927 1069905150 /nfs/dbraw/zinc/90/51/50/1069905150.db2.gz CWUMOSRDWNRPSS-IRXDYDNUSA-N 1 0 423.558 -0.239 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC000514879928 1069904796 /nfs/dbraw/zinc/90/47/96/1069904796.db2.gz CWUMOSRDWNRPSS-SJORKVTESA-N 1 0 423.558 -0.239 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000514884067 1069905909 /nfs/dbraw/zinc/90/59/09/1069905909.db2.gz GFFHBPVBOMVYLM-DLBZAZTESA-N 1 0 424.542 -0.424 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000514884079 1069905924 /nfs/dbraw/zinc/90/59/24/1069905924.db2.gz GFFHBPVBOMVYLM-IAGOWNOFSA-N 1 0 424.542 -0.424 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000514884080 1069905829 /nfs/dbraw/zinc/90/58/29/1069905829.db2.gz GFFHBPVBOMVYLM-IRXDYDNUSA-N 1 0 424.542 -0.424 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000514884081 1069905557 /nfs/dbraw/zinc/90/55/57/1069905557.db2.gz GFFHBPVBOMVYLM-SJORKVTESA-N 1 0 424.542 -0.424 20 0 HBADRO Cn1c2ncn(Cc3nc([C@H]4CN5CCC[C@]5(C)CO4)no3)c2c(=O)n(C)c1=O ZINC000514891458 1069907422 /nfs/dbraw/zinc/90/74/22/1069907422.db2.gz YVGGPANEBZZULV-ADLMAVQZSA-N 1 0 401.427 -0.209 20 0 HBADRO Cn1c2ncn(Cc3nc([C@@H]4CN5CCC[C@]5(C)CO4)no3)c2c(=O)n(C)c1=O ZINC000514891459 1069907224 /nfs/dbraw/zinc/90/72/24/1069907224.db2.gz YVGGPANEBZZULV-BBATYDOGSA-N 1 0 401.427 -0.209 20 0 HBADRO Cn1c2ncn(Cc3nc([C@@H]4CN5CCC[C@@]5(C)CO4)no3)c2c(=O)n(C)c1=O ZINC000514891460 1069907443 /nfs/dbraw/zinc/90/74/43/1069907443.db2.gz YVGGPANEBZZULV-VOJFVSQTSA-N 1 0 401.427 -0.209 20 0 HBADRO Cn1c2ncn(Cc3nc([C@H]4CN5CCC[C@@]5(C)CO4)no3)c2c(=O)n(C)c1=O ZINC000514891461 1069907256 /nfs/dbraw/zinc/90/72/56/1069907256.db2.gz YVGGPANEBZZULV-ZMZPIMSZSA-N 1 0 401.427 -0.209 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000514927606 1069910243 /nfs/dbraw/zinc/91/02/43/1069910243.db2.gz JPGSDAVBXOKRHH-MSOLQXFVSA-N 1 0 423.558 -0.632 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000514927613 1069910472 /nfs/dbraw/zinc/91/04/72/1069910472.db2.gz JPGSDAVBXOKRHH-QZTJIDSGSA-N 1 0 423.558 -0.632 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000514927615 1069910355 /nfs/dbraw/zinc/91/03/55/1069910355.db2.gz JPGSDAVBXOKRHH-ROUUACIJSA-N 1 0 423.558 -0.632 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000514927616 1069910427 /nfs/dbraw/zinc/91/04/27/1069910427.db2.gz JPGSDAVBXOKRHH-ZWKOTPCHSA-N 1 0 423.558 -0.632 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1cccnc1-n1cncn1)NCC[NH+]1CCCCCC1 ZINC000514955942 1069912094 /nfs/dbraw/zinc/91/20/94/1069912094.db2.gz CREGVYDDCOGNKV-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)c1=O ZINC000514972975 1069912081 /nfs/dbraw/zinc/91/20/81/1069912081.db2.gz RNTIZKNVZRZLQF-UHFFFAOYSA-N 1 0 402.499 -0.581 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000515006432 1069724423 /nfs/dbraw/zinc/72/44/23/1069724423.db2.gz GSCKRPHENOYJQF-UHFFFAOYSA-N 1 0 423.558 -0.142 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000515015044 1069915942 /nfs/dbraw/zinc/91/59/42/1069915942.db2.gz ZABCEJRWKMDUEI-CVEARBPZSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000515015047 1069915877 /nfs/dbraw/zinc/91/58/77/1069915877.db2.gz ZABCEJRWKMDUEI-HOTGVXAUSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000515015049 1069916014 /nfs/dbraw/zinc/91/60/14/1069916014.db2.gz ZABCEJRWKMDUEI-HZPDHXFCSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000515015051 1069915816 /nfs/dbraw/zinc/91/58/16/1069915816.db2.gz ZABCEJRWKMDUEI-JKSUJKDBSA-N 1 0 407.902 -0.077 20 0 HBADRO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000515049979 1069917434 /nfs/dbraw/zinc/91/74/34/1069917434.db2.gz BQPZIQMKANKTHM-GMYLUUGSSA-N 1 0 416.588 -0.188 20 0 HBADRO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000515049980 1069917289 /nfs/dbraw/zinc/91/72/89/1069917289.db2.gz BQPZIQMKANKTHM-HJFSHJIFSA-N 1 0 416.588 -0.188 20 0 HBADRO C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000515049981 1069917531 /nfs/dbraw/zinc/91/75/31/1069917531.db2.gz BQPZIQMKANKTHM-POXGOYDTSA-N 1 0 416.588 -0.188 20 0 HBADRO C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000515049982 1069918173 /nfs/dbraw/zinc/91/81/73/1069918173.db2.gz BQPZIQMKANKTHM-SUMNFNSASA-N 1 0 416.588 -0.188 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CCN2C1=O ZINC000515072799 1069920963 /nfs/dbraw/zinc/92/09/63/1069920963.db2.gz KCRAHVKACDSBKV-CMPLNLGQSA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CCN2C1=O ZINC000515072800 1069920677 /nfs/dbraw/zinc/92/06/77/1069920677.db2.gz KCRAHVKACDSBKV-JQWIXIFHSA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CCN2C1=O ZINC000515072801 1069921070 /nfs/dbraw/zinc/92/10/70/1069921070.db2.gz KCRAHVKACDSBKV-PWSUYJOCSA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CCN2C1=O ZINC000515072802 1069920807 /nfs/dbraw/zinc/92/08/07/1069920807.db2.gz KCRAHVKACDSBKV-ZYHUDNBSSA-N 1 0 420.413 -0.246 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[NH+]2CCCC2)c1 ZINC000515075275 1069918270 /nfs/dbraw/zinc/91/82/70/1069918270.db2.gz PXEMXGIGPAOBIN-DLBZAZTESA-N 1 0 404.467 -0.339 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[NH+]2CCCC2)c1 ZINC000515075277 1069919280 /nfs/dbraw/zinc/91/92/80/1069919280.db2.gz PXEMXGIGPAOBIN-IAGOWNOFSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[NH+]2CCCC2)c1 ZINC000515075279 1069919249 /nfs/dbraw/zinc/91/92/49/1069919249.db2.gz PXEMXGIGPAOBIN-IRXDYDNUSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[NH+]2CCCC2)c1 ZINC000515075281 1069919112 /nfs/dbraw/zinc/91/91/12/1069919112.db2.gz PXEMXGIGPAOBIN-SJORKVTESA-N 1 0 404.467 -0.339 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000515078120 1069919197 /nfs/dbraw/zinc/91/91/97/1069919197.db2.gz VRKGZLREIOOQSN-UHFFFAOYSA-N 1 0 415.542 -0.198 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000515080552 1069918956 /nfs/dbraw/zinc/91/89/56/1069918956.db2.gz IXNQBCCOBZSKEH-CABCVRRESA-N 1 0 404.533 -0.999 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000515080554 1069919158 /nfs/dbraw/zinc/91/91/58/1069919158.db2.gz IXNQBCCOBZSKEH-GJZGRUSLSA-N 1 0 404.533 -0.999 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000515080555 1069918896 /nfs/dbraw/zinc/91/88/96/1069918896.db2.gz IXNQBCCOBZSKEH-HUUCEWRRSA-N 1 0 404.533 -0.999 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000515080556 1069919067 /nfs/dbraw/zinc/91/90/67/1069919067.db2.gz IXNQBCCOBZSKEH-LSDHHAIUSA-N 1 0 404.533 -0.999 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cn2)CC1 ZINC000515134809 1069926396 /nfs/dbraw/zinc/92/63/96/1069926396.db2.gz SFQOYIKJZAHYIR-UHFFFAOYSA-N 1 0 422.511 -0.901 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000515173220 1069928116 /nfs/dbraw/zinc/92/81/16/1069928116.db2.gz OJNUPKLAAPGYEC-UHFFFAOYSA-N 1 0 401.485 -0.443 20 0 HBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000515193488 1069928887 /nfs/dbraw/zinc/92/88/87/1069928887.db2.gz GOEHXBMWHGVMCJ-INIZCTEOSA-N 1 0 423.539 -0.645 20 0 HBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000515193495 1069929032 /nfs/dbraw/zinc/92/90/32/1069929032.db2.gz GOEHXBMWHGVMCJ-MRXNPFEDSA-N 1 0 423.539 -0.645 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000515205898 1069928780 /nfs/dbraw/zinc/92/87/80/1069928780.db2.gz MPDLTCNHZPKADY-UHFFFAOYSA-N 1 0 413.544 -0.207 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000515244672 1069931526 /nfs/dbraw/zinc/93/15/26/1069931526.db2.gz IGWBOMRZAMHYJL-UHFFFAOYSA-N 1 0 416.526 -0.178 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H](CO)O1 ZINC000515244804 1069930606 /nfs/dbraw/zinc/93/06/06/1069930606.db2.gz ABTYWFZLMRRXQK-BEFAXECRSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@H](CO)O1 ZINC000515244806 1069930747 /nfs/dbraw/zinc/93/07/47/1069930747.db2.gz ABTYWFZLMRRXQK-DNVCBOLYSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@H](CO)O1 ZINC000515244807 1069931512 /nfs/dbraw/zinc/93/15/12/1069931512.db2.gz ABTYWFZLMRRXQK-HNAYVOBHSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H](CO)O1 ZINC000515244808 1069931446 /nfs/dbraw/zinc/93/14/46/1069931446.db2.gz ABTYWFZLMRRXQK-KXBFYZLASA-N 1 0 405.495 -0.132 20 0 HBADRO Cn1c2ncn(CC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000515246328 1069929961 /nfs/dbraw/zinc/92/99/61/1069929961.db2.gz PAABYUKCSBZPLW-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1c2ncn(CC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000515246333 1069929918 /nfs/dbraw/zinc/92/99/18/1069929918.db2.gz PAABYUKCSBZPLW-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000515249464 1069930024 /nfs/dbraw/zinc/93/00/24/1069930024.db2.gz IQQROXDFHFVOSN-UHFFFAOYSA-N 1 0 402.561 -0.036 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000515265032 1069931421 /nfs/dbraw/zinc/93/14/21/1069931421.db2.gz DNKJRQUSTSZHLD-UHFFFAOYSA-N 1 0 423.539 -0.228 20 0 HBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000515273796 1069933749 /nfs/dbraw/zinc/93/37/49/1069933749.db2.gz FRSYHPOEIHPNMR-GFCCVEGCSA-N 1 0 414.484 -0.887 20 0 HBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000515273797 1069933867 /nfs/dbraw/zinc/93/38/67/1069933867.db2.gz FRSYHPOEIHPNMR-LBPRGKRZSA-N 1 0 414.484 -0.887 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000515279205 1069933775 /nfs/dbraw/zinc/93/37/75/1069933775.db2.gz NUTKNJHOMHZJAW-UHFFFAOYSA-N 1 0 423.539 -0.181 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000515292564 1069935290 /nfs/dbraw/zinc/93/52/90/1069935290.db2.gz FUXXRSXBDVOXQJ-HNNXBMFYSA-N 1 0 402.459 -0.043 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000515292565 1069935461 /nfs/dbraw/zinc/93/54/61/1069935461.db2.gz FUXXRSXBDVOXQJ-OAHLLOKOSA-N 1 0 402.459 -0.043 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)n1 ZINC000515315774 1069937567 /nfs/dbraw/zinc/93/75/67/1069937567.db2.gz KUPGPQNCCWUSKL-UHFFFAOYSA-N 1 0 419.530 -0.724 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000515318783 1069937457 /nfs/dbraw/zinc/93/74/57/1069937457.db2.gz MEPHZRRZOCBYPF-INIZCTEOSA-N 1 0 419.530 -0.887 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000515318784 1069937486 /nfs/dbraw/zinc/93/74/86/1069937486.db2.gz MEPHZRRZOCBYPF-MRXNPFEDSA-N 1 0 419.530 -0.887 20 0 HBADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@H](CNC(C)=O)C3)CCCC2)CC1 ZINC000515320706 1069937518 /nfs/dbraw/zinc/93/75/18/1069937518.db2.gz SXVCLNTUNUNKHV-GOSISDBHSA-N 1 0 424.542 -0.110 20 0 HBADRO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCO[C@@H](CNC(C)=O)C3)CCCC2)CC1 ZINC000515320707 1069937428 /nfs/dbraw/zinc/93/74/28/1069937428.db2.gz SXVCLNTUNUNKHV-SFHVURJKSA-N 1 0 424.542 -0.110 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000515324626 1069935934 /nfs/dbraw/zinc/93/59/34/1069935934.db2.gz VKKINUMBVHHKAY-INIZCTEOSA-N 1 0 419.482 -0.508 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000515324627 1069936083 /nfs/dbraw/zinc/93/60/83/1069936083.db2.gz VKKINUMBVHHKAY-MRXNPFEDSA-N 1 0 419.482 -0.508 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCC(C)CC1 ZINC000515343734 1069939211 /nfs/dbraw/zinc/93/92/11/1069939211.db2.gz XEALGZNPEUTNFC-AWEZNQCLSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCC(C)CC1 ZINC000515343735 1069938914 /nfs/dbraw/zinc/93/89/14/1069938914.db2.gz XEALGZNPEUTNFC-CQSZACIVSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000515375786 1069941262 /nfs/dbraw/zinc/94/12/62/1069941262.db2.gz IKKCOAPBGXJJTB-KRWDZBQOSA-N 1 0 417.558 -0.097 20 0 HBADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000515375787 1069941325 /nfs/dbraw/zinc/94/13/25/1069941325.db2.gz IKKCOAPBGXJJTB-QGZVFWFLSA-N 1 0 417.558 -0.097 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N(CCO)C3CC3)c2)C1 ZINC000515392057 1069940494 /nfs/dbraw/zinc/94/04/94/1069940494.db2.gz KKISILWWQUBUHO-KRWDZBQOSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N(CCO)C3CC3)c2)C1 ZINC000515392058 1069940578 /nfs/dbraw/zinc/94/05/78/1069940578.db2.gz KKISILWWQUBUHO-QGZVFWFLSA-N 1 0 402.495 -0.017 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000515417990 1069943385 /nfs/dbraw/zinc/94/33/85/1069943385.db2.gz FXOOCZBLJMEDQE-UHFFFAOYSA-N 1 0 406.531 -0.319 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000515438995 1069945923 /nfs/dbraw/zinc/94/59/23/1069945923.db2.gz FYSQSNJQWLVBGT-INIZCTEOSA-N 1 0 417.576 -0.943 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000515439000 1069945844 /nfs/dbraw/zinc/94/58/44/1069945844.db2.gz FYSQSNJQWLVBGT-MRXNPFEDSA-N 1 0 417.576 -0.943 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCc4nc(C)ncc4C3)C2)CC1 ZINC000515439172 1069945890 /nfs/dbraw/zinc/94/58/90/1069945890.db2.gz MBAIAOQHWKSMCG-MSOLQXFVSA-N 1 0 400.527 -0.003 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCc4nc(C)ncc4C3)C2)CC1 ZINC000515439173 1069945712 /nfs/dbraw/zinc/94/57/12/1069945712.db2.gz MBAIAOQHWKSMCG-QZTJIDSGSA-N 1 0 400.527 -0.003 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCc4nc(C)ncc4C3)C2)CC1 ZINC000515439174 1069945662 /nfs/dbraw/zinc/94/56/62/1069945662.db2.gz MBAIAOQHWKSMCG-ROUUACIJSA-N 1 0 400.527 -0.003 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCc4nc(C)ncc4C3)C2)CC1 ZINC000515439175 1069945951 /nfs/dbraw/zinc/94/59/51/1069945951.db2.gz MBAIAOQHWKSMCG-ZWKOTPCHSA-N 1 0 400.527 -0.003 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000515440482 1069945073 /nfs/dbraw/zinc/94/50/73/1069945073.db2.gz ZLQLCFCHJMFDQH-UHFFFAOYSA-N 1 0 407.494 -0.592 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000515450875 1069947553 /nfs/dbraw/zinc/94/75/53/1069947553.db2.gz DVSXOJKVCDYLQR-INIZCTEOSA-N 1 0 423.539 -0.101 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000515450876 1069947315 /nfs/dbraw/zinc/94/73/15/1069947315.db2.gz DVSXOJKVCDYLQR-MRXNPFEDSA-N 1 0 423.539 -0.101 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000515472495 1069948305 /nfs/dbraw/zinc/94/83/05/1069948305.db2.gz OFALZAUGAFPJFE-INIZCTEOSA-N 1 0 414.503 -0.086 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000515472496 1069949293 /nfs/dbraw/zinc/94/92/93/1069949293.db2.gz OFALZAUGAFPJFE-MRXNPFEDSA-N 1 0 414.503 -0.086 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)nc2)CC1 ZINC000515488796 1069951517 /nfs/dbraw/zinc/95/15/17/1069951517.db2.gz WKIMQTNUSMSVAZ-GDBMZVCRSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)nc2)CC1 ZINC000515488797 1069951583 /nfs/dbraw/zinc/95/15/83/1069951583.db2.gz WKIMQTNUSMSVAZ-GOEBONIOSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)nc2)CC1 ZINC000515488798 1069951349 /nfs/dbraw/zinc/95/13/49/1069951349.db2.gz WKIMQTNUSMSVAZ-HOCLYGCPSA-N 1 0 421.523 -0.193 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)nc2)CC1 ZINC000515488799 1069951562 /nfs/dbraw/zinc/95/15/62/1069951562.db2.gz WKIMQTNUSMSVAZ-ZBFHGGJFSA-N 1 0 421.523 -0.193 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000515524266 1069953826 /nfs/dbraw/zinc/95/38/26/1069953826.db2.gz CGZYBZUBQUSODE-UHFFFAOYSA-N 1 0 418.541 -0.669 20 0 HBADRO COCCN(CCOC)S(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000515526188 1069952523 /nfs/dbraw/zinc/95/25/23/1069952523.db2.gz ASVLTRDMDOLTQG-UHFFFAOYSA-N 1 0 401.533 -0.237 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000515529642 1069953086 /nfs/dbraw/zinc/95/30/86/1069953086.db2.gz BHYTYIMQOIKYEP-UHFFFAOYSA-N 1 0 403.480 -0.589 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000515545137 1069953878 /nfs/dbraw/zinc/95/38/78/1069953878.db2.gz JTVHEZKGDLUPGB-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000515616812 1069960980 /nfs/dbraw/zinc/96/09/80/1069960980.db2.gz HXOOQEKPKXBKDE-UHFFFAOYSA-N 1 0 403.527 -0.095 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000515659032 1069962008 /nfs/dbraw/zinc/96/20/08/1069962008.db2.gz ASAXIRNXNHONCA-HNNXBMFYSA-N 1 0 415.494 -0.573 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000515659033 1069961876 /nfs/dbraw/zinc/96/18/76/1069961876.db2.gz ASAXIRNXNHONCA-OAHLLOKOSA-N 1 0 415.494 -0.573 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000515677414 1069962970 /nfs/dbraw/zinc/96/29/70/1069962970.db2.gz ZKGORAXGMRLARE-DZGCQCFKSA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000515677415 1069962686 /nfs/dbraw/zinc/96/26/86/1069962686.db2.gz ZKGORAXGMRLARE-HIFRSBDPSA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000515677416 1069962924 /nfs/dbraw/zinc/96/29/24/1069962924.db2.gz ZKGORAXGMRLARE-UKRRQHHQSA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000515677417 1069963089 /nfs/dbraw/zinc/96/30/89/1069963089.db2.gz ZKGORAXGMRLARE-ZFWWWQNUSA-N 1 0 405.499 -0.044 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000515681119 1069965418 /nfs/dbraw/zinc/96/54/18/1069965418.db2.gz JHIUQNGBVZLYAI-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000515761454 1069971140 /nfs/dbraw/zinc/97/11/40/1069971140.db2.gz FTJIGLGLTOOZGT-UHFFFAOYSA-N 1 0 418.541 -0.669 20 0 HBADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000515792064 1069972674 /nfs/dbraw/zinc/97/26/74/1069972674.db2.gz UFMOJROTNRTXJM-UHFFFAOYSA-N 1 0 407.515 -0.427 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000515822562 1069973336 /nfs/dbraw/zinc/97/33/36/1069973336.db2.gz GOPFAHMDPIVQHF-KRWDZBQOSA-N 1 0 409.531 -0.179 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000515822563 1069973255 /nfs/dbraw/zinc/97/32/55/1069973255.db2.gz GOPFAHMDPIVQHF-QGZVFWFLSA-N 1 0 409.531 -0.179 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)nc2n(C)c1=O ZINC000515844405 1069973982 /nfs/dbraw/zinc/97/39/82/1069973982.db2.gz CZZFNONKMFDTKT-UHFFFAOYSA-N 1 0 400.483 -0.514 20 0 HBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515855442 1069975794 /nfs/dbraw/zinc/97/57/94/1069975794.db2.gz DVXKIMSHQJWWDR-INIZCTEOSA-N 1 0 407.515 -0.190 20 0 HBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515855445 1069975774 /nfs/dbraw/zinc/97/57/74/1069975774.db2.gz DVXKIMSHQJWWDR-MRXNPFEDSA-N 1 0 407.515 -0.190 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(CC(F)F)CC3)ccn2)CC1 ZINC000515878000 1069976637 /nfs/dbraw/zinc/97/66/37/1069976637.db2.gz OBFNCICYPKFRDT-UHFFFAOYSA-N 1 0 410.469 -0.141 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515883903 1069978651 /nfs/dbraw/zinc/97/86/51/1069978651.db2.gz GSHNSALVQDYGFT-CRAIPNDOSA-N 1 0 418.494 -0.168 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515883904 1069978620 /nfs/dbraw/zinc/97/86/20/1069978620.db2.gz GSHNSALVQDYGFT-MAUKXSAKSA-N 1 0 418.494 -0.168 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515883905 1069978902 /nfs/dbraw/zinc/97/89/02/1069978902.db2.gz GSHNSALVQDYGFT-QAPCUYQASA-N 1 0 418.494 -0.168 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000515883906 1069978774 /nfs/dbraw/zinc/97/87/74/1069978774.db2.gz GSHNSALVQDYGFT-YJBOKZPZSA-N 1 0 418.494 -0.168 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)cnc2n(C)c1=O ZINC000515889222 1069977447 /nfs/dbraw/zinc/97/74/47/1069977447.db2.gz KBOSEDHTYKATST-UHFFFAOYSA-N 1 0 402.455 -0.437 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000515890165 1069977403 /nfs/dbraw/zinc/97/74/03/1069977403.db2.gz ZOHJNDXZENBFSV-HIFRSBDPSA-N 1 0 401.533 -0.418 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000515890166 1069977868 /nfs/dbraw/zinc/97/78/68/1069977868.db2.gz ZOHJNDXZENBFSV-UKRRQHHQSA-N 1 0 401.533 -0.418 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)c2ccccc2O1 ZINC000515897733 1069978631 /nfs/dbraw/zinc/97/86/31/1069978631.db2.gz VTIYTNKQVQUABM-KRWDZBQOSA-N 1 0 404.467 -0.245 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)c2ccccc2O1 ZINC000515897734 1069978658 /nfs/dbraw/zinc/97/86/58/1069978658.db2.gz VTIYTNKQVQUABM-QGZVFWFLSA-N 1 0 404.467 -0.245 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000515899360 1069978845 /nfs/dbraw/zinc/97/88/45/1069978845.db2.gz POVYNSZCUNTRJB-GFCCVEGCSA-N 1 0 402.455 -0.439 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000515899361 1069979718 /nfs/dbraw/zinc/97/97/18/1069979718.db2.gz POVYNSZCUNTRJB-LBPRGKRZSA-N 1 0 402.455 -0.439 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cnc2n(C)c1=O ZINC000515899791 1069978799 /nfs/dbraw/zinc/97/87/99/1069978799.db2.gz NUDSTUBDCONARK-UHFFFAOYSA-N 1 0 416.482 -0.004 20 0 HBADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000515900914 1069979575 /nfs/dbraw/zinc/97/95/75/1069979575.db2.gz GFCPCUITORDGQK-UHFFFAOYSA-N 1 0 416.475 -0.147 20 0 HBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000515906524 1069979646 /nfs/dbraw/zinc/97/96/46/1069979646.db2.gz VBNPDYAUZWCSKZ-INIZCTEOSA-N 1 0 404.515 -0.173 20 0 HBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000515906525 1069979452 /nfs/dbraw/zinc/97/94/52/1069979452.db2.gz VBNPDYAUZWCSKZ-MRXNPFEDSA-N 1 0 404.515 -0.173 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)cnc2n(C)c1=O ZINC000515911595 1069978669 /nfs/dbraw/zinc/97/86/69/1069978669.db2.gz YFLHJUMKHHZKMS-UHFFFAOYSA-N 1 0 416.482 -0.049 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515915930 1069981901 /nfs/dbraw/zinc/98/19/01/1069981901.db2.gz ZUINYODUQXOFMK-GOSISDBHSA-N 1 0 416.478 -0.150 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515915931 1069982112 /nfs/dbraw/zinc/98/21/12/1069982112.db2.gz ZUINYODUQXOFMK-SFHVURJKSA-N 1 0 416.478 -0.150 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000515916655 1069981833 /nfs/dbraw/zinc/98/18/33/1069981833.db2.gz LIIUNVIRSCBHFD-UHFFFAOYSA-N 1 0 402.542 -0.254 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000516013909 1069991306 /nfs/dbraw/zinc/99/13/06/1069991306.db2.gz KXVVRWOBQPCAHY-UHFFFAOYSA-N 1 0 401.467 -0.073 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)cnc2n(C)c1=O ZINC000516015151 1069992432 /nfs/dbraw/zinc/99/24/32/1069992432.db2.gz DMMWYUCMRWTWGL-UHFFFAOYSA-N 1 0 414.466 -0.343 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000516021809 1069992259 /nfs/dbraw/zinc/99/22/59/1069992259.db2.gz SZGTVXAEUFXZQS-UHFFFAOYSA-N 1 0 405.499 -0.024 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000516028427 1069990742 /nfs/dbraw/zinc/99/07/42/1069990742.db2.gz STWLQRZSIOHPRN-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000516028700 1069990847 /nfs/dbraw/zinc/99/08/47/1069990847.db2.gz ZMUXZZMSKHJPQQ-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000516031629 1069993651 /nfs/dbraw/zinc/99/36/51/1069993651.db2.gz IVMAHCNBRJXCDM-UHFFFAOYSA-N 1 0 417.510 -0.310 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000516038289 1069994601 /nfs/dbraw/zinc/99/46/01/1069994601.db2.gz LZWYJFMIOVSXGY-CVEARBPZSA-N 1 0 404.515 -0.030 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000516038290 1069994616 /nfs/dbraw/zinc/99/46/16/1069994616.db2.gz LZWYJFMIOVSXGY-HOTGVXAUSA-N 1 0 404.515 -0.030 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000516038291 1069994545 /nfs/dbraw/zinc/99/45/45/1069994545.db2.gz LZWYJFMIOVSXGY-HZPDHXFCSA-N 1 0 404.515 -0.030 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000516038292 1069994383 /nfs/dbraw/zinc/99/43/83/1069994383.db2.gz LZWYJFMIOVSXGY-JKSUJKDBSA-N 1 0 404.515 -0.030 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000516050944 1069994581 /nfs/dbraw/zinc/99/45/81/1069994581.db2.gz NNKYGEAFGQMFNJ-UHFFFAOYSA-N 1 0 403.483 -0.118 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCCC(=O)N1 ZINC000516102656 1069996597 /nfs/dbraw/zinc/99/65/97/1069996597.db2.gz TUDCQJUWPSFMAA-IAGOWNOFSA-N 1 0 421.542 -0.246 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000516107072 1069997502 /nfs/dbraw/zinc/99/75/02/1069997502.db2.gz NMVBEEBRYGHVDZ-GOSISDBHSA-N 1 0 424.590 -0.413 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000516107073 1069997786 /nfs/dbraw/zinc/99/77/86/1069997786.db2.gz NMVBEEBRYGHVDZ-SFHVURJKSA-N 1 0 424.590 -0.413 20 0 HBADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000516124832 1069999555 /nfs/dbraw/zinc/99/95/55/1069999555.db2.gz CMBNYVYKZSARLS-QGZVFWFLSA-N 1 0 418.608 -0.074 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1C ZINC000516202865 1070004780 /nfs/dbraw/zinc/00/47/80/1070004780.db2.gz QKUSQAGFCQRUDJ-SJPCQFCGSA-N 1 0 417.558 -0.128 20 0 HBADRO Cn1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516207604 1070005520 /nfs/dbraw/zinc/00/55/20/1070005520.db2.gz CIROOVHGDSZEHG-UHFFFAOYSA-N 1 0 411.466 -0.025 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000516242860 1070006752 /nfs/dbraw/zinc/00/67/52/1070006752.db2.gz VHRVDTNTQKHEOZ-IRXDYDNUSA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000516242865 1070007610 /nfs/dbraw/zinc/00/76/10/1070007610.db2.gz VHRVDTNTQKHEOZ-SJORKVTESA-N 1 0 409.531 -0.181 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516288141 1070010714 /nfs/dbraw/zinc/01/07/14/1070010714.db2.gz ZIUDBTMJEYMHOY-CHWSQXEVSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516288143 1070010632 /nfs/dbraw/zinc/01/06/32/1070010632.db2.gz ZIUDBTMJEYMHOY-OLZOCXBDSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516288145 1070010840 /nfs/dbraw/zinc/01/08/40/1070010840.db2.gz ZIUDBTMJEYMHOY-QWHCGFSZSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516288147 1070010387 /nfs/dbraw/zinc/01/03/87/1070010387.db2.gz ZIUDBTMJEYMHOY-STQMWFEESA-N 1 0 416.482 -0.193 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000516319847 1069725911 /nfs/dbraw/zinc/72/59/11/1069725911.db2.gz JLRNZFFRZXERCK-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000516342415 1070014230 /nfs/dbraw/zinc/01/42/30/1070014230.db2.gz ISRQSQBRUBHGSB-UHFFFAOYSA-N 1 0 401.460 -0.228 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000516346516 1070015157 /nfs/dbraw/zinc/01/51/57/1070015157.db2.gz BRIRJNPBTSUVRW-JKSUJKDBSA-N 1 0 416.544 -0.903 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000516389742 1070017019 /nfs/dbraw/zinc/01/70/19/1070017019.db2.gz FLPBYWMUKUIQKO-UHFFFAOYSA-N 1 0 418.466 -0.134 20 0 HBADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000516390259 1070016792 /nfs/dbraw/zinc/01/67/92/1070016792.db2.gz WDLKHAANMJNNDF-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000516390332 1070017173 /nfs/dbraw/zinc/01/71/73/1070017173.db2.gz DQQPZSDXAXMBQV-UHFFFAOYSA-N 1 0 424.523 -0.210 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(C[NH+](C)C)CC3)cnc2n(C)c1=O ZINC000516414259 1070018300 /nfs/dbraw/zinc/01/83/00/1070018300.db2.gz NOPRDJLKHQJUDJ-UHFFFAOYSA-N 1 0 402.455 -0.629 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000516427513 1070019236 /nfs/dbraw/zinc/01/92/36/1070019236.db2.gz TWJANEXOZLZXTK-UHFFFAOYSA-N 1 0 417.514 -0.613 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@]2(CCCOC2)O1 ZINC000516437891 1070021067 /nfs/dbraw/zinc/02/10/67/1070021067.db2.gz DGACBYXESNPVMQ-GQIGUUNPSA-N 1 0 410.515 -0.514 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@]2(CCCOC2)O1 ZINC000516437892 1070021208 /nfs/dbraw/zinc/02/12/08/1070021208.db2.gz DGACBYXESNPVMQ-GUXCAODWSA-N 1 0 410.515 -0.514 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@]2(CCCOC2)O1 ZINC000516437893 1070021022 /nfs/dbraw/zinc/02/10/22/1070021022.db2.gz DGACBYXESNPVMQ-JXXFODFXSA-N 1 0 410.515 -0.514 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@]2(CCCOC2)O1 ZINC000516437894 1070020957 /nfs/dbraw/zinc/02/09/57/1070020957.db2.gz DGACBYXESNPVMQ-QINHECLXSA-N 1 0 410.515 -0.514 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000516495557 1070025533 /nfs/dbraw/zinc/02/55/33/1070025533.db2.gz KZMULDIHEQWUNZ-UHFFFAOYSA-N 1 0 408.503 -0.148 20 0 HBADRO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000516499832 1070025206 /nfs/dbraw/zinc/02/52/06/1070025206.db2.gz JYUIBLPJNUCKBA-DLBZAZTESA-N 1 0 406.483 -0.475 20 0 HBADRO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000516499833 1070025596 /nfs/dbraw/zinc/02/55/96/1070025596.db2.gz JYUIBLPJNUCKBA-IAGOWNOFSA-N 1 0 406.483 -0.475 20 0 HBADRO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000516499834 1070025446 /nfs/dbraw/zinc/02/54/46/1070025446.db2.gz JYUIBLPJNUCKBA-IRXDYDNUSA-N 1 0 406.483 -0.475 20 0 HBADRO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000516499835 1070025322 /nfs/dbraw/zinc/02/53/22/1070025322.db2.gz JYUIBLPJNUCKBA-SJORKVTESA-N 1 0 406.483 -0.475 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000516507012 1070024878 /nfs/dbraw/zinc/02/48/78/1070024878.db2.gz LGULUAZKMCYWQS-BMFZPTHFSA-N 1 0 402.499 -0.374 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000516507013 1070024760 /nfs/dbraw/zinc/02/47/60/1070024760.db2.gz LGULUAZKMCYWQS-FVQBIDKESA-N 1 0 402.499 -0.374 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000516507014 1070024699 /nfs/dbraw/zinc/02/46/99/1070024699.db2.gz LGULUAZKMCYWQS-KBMXLJTQSA-N 1 0 402.499 -0.374 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000516507015 1070025365 /nfs/dbraw/zinc/02/53/65/1070025365.db2.gz LGULUAZKMCYWQS-VNQPRFMTSA-N 1 0 402.499 -0.374 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000516513518 1070026774 /nfs/dbraw/zinc/02/67/74/1070026774.db2.gz XSCAMIODQWLTPE-QLFBSQMISA-N 1 0 404.533 -0.858 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 ZINC000516513519 1070027000 /nfs/dbraw/zinc/02/70/00/1070027000.db2.gz XSCAMIODQWLTPE-RBSFLKMASA-N 1 0 404.533 -0.858 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000516513520 1070026706 /nfs/dbraw/zinc/02/67/06/1070026706.db2.gz XSCAMIODQWLTPE-SOUVJXGZSA-N 1 0 404.533 -0.858 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000516514691 1069601392 /nfs/dbraw/zinc/60/13/92/1069601392.db2.gz DQAGHYDQQYYJAH-GOSISDBHSA-N 1 0 407.559 -0.404 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000516514697 1069601528 /nfs/dbraw/zinc/60/15/28/1069601528.db2.gz DQAGHYDQQYYJAH-SFHVURJKSA-N 1 0 407.559 -0.404 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cn2)CC1 ZINC000516515925 1070026826 /nfs/dbraw/zinc/02/68/26/1070026826.db2.gz VXVHFFYGEXYKRV-UHFFFAOYSA-N 1 0 410.544 -0.245 20 0 HBADRO O=S(=O)(c1ccc(OCC[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1)N1CCOCC1 ZINC000516528658 1070028177 /nfs/dbraw/zinc/02/81/77/1070028177.db2.gz BINJUTUUOFKMJY-CRAIPNDOSA-N 1 0 400.497 -0.239 20 0 HBADRO O=S(=O)(c1ccc(OCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1)N1CCOCC1 ZINC000516528659 1070027924 /nfs/dbraw/zinc/02/79/24/1070027924.db2.gz BINJUTUUOFKMJY-MAUKXSAKSA-N 1 0 400.497 -0.239 20 0 HBADRO O=S(=O)(c1ccc(OCC[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1)N1CCOCC1 ZINC000516528660 1070028131 /nfs/dbraw/zinc/02/81/31/1070028131.db2.gz BINJUTUUOFKMJY-QAPCUYQASA-N 1 0 400.497 -0.239 20 0 HBADRO O=S(=O)(c1ccc(OCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1)N1CCOCC1 ZINC000516528661 1070027850 /nfs/dbraw/zinc/02/78/50/1070027850.db2.gz BINJUTUUOFKMJY-YJBOKZPZSA-N 1 0 400.497 -0.239 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000516555853 1070029887 /nfs/dbraw/zinc/02/98/87/1070029887.db2.gz BPMJHUZBYWXBKL-FQEVSTJZSA-N 1 0 415.450 -0.102 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000516555854 1070029959 /nfs/dbraw/zinc/02/99/59/1070029959.db2.gz BPMJHUZBYWXBKL-HXUWFJFHSA-N 1 0 415.450 -0.102 20 0 HBADRO Cn1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516597319 1071296380 /nfs/dbraw/zinc/29/63/80/1071296380.db2.gz PYVVGOLQHWIHFL-UHFFFAOYSA-N 1 0 403.483 -0.240 20 0 HBADRO C[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000516600979 1070031021 /nfs/dbraw/zinc/03/10/21/1070031021.db2.gz NPBQKIUXFQOOOS-AWEZNQCLSA-N 1 0 409.512 -0.950 20 0 HBADRO C[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000516600980 1070030938 /nfs/dbraw/zinc/03/09/38/1070030938.db2.gz NPBQKIUXFQOOOS-CQSZACIVSA-N 1 0 409.512 -0.950 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000516601879 1070031488 /nfs/dbraw/zinc/03/14/88/1070031488.db2.gz WWZCFIKWPUXSGU-KRWDZBQOSA-N 1 0 416.592 -0.462 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000516601880 1070031805 /nfs/dbraw/zinc/03/18/05/1070031805.db2.gz WWZCFIKWPUXSGU-QGZVFWFLSA-N 1 0 416.592 -0.462 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000516602406 1070030878 /nfs/dbraw/zinc/03/08/78/1070030878.db2.gz NZKNXQZBHCGTBB-JXFKEZNVSA-N 1 0 424.567 -0.076 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000516602407 1070032052 /nfs/dbraw/zinc/03/20/52/1070032052.db2.gz NZKNXQZBHCGTBB-OXJNMPFZSA-N 1 0 424.567 -0.076 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000516602408 1070031621 /nfs/dbraw/zinc/03/16/21/1070031621.db2.gz NZKNXQZBHCGTBB-OXQOHEQNSA-N 1 0 424.567 -0.076 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000516602409 1070031892 /nfs/dbraw/zinc/03/18/92/1070031892.db2.gz NZKNXQZBHCGTBB-UZLBHIALSA-N 1 0 424.567 -0.076 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1=O ZINC000516603233 1070032096 /nfs/dbraw/zinc/03/20/96/1070032096.db2.gz SOMSPPKDUSXZHU-BZUAXINKSA-N 1 0 408.499 -0.543 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1=O ZINC000516603234 1070031980 /nfs/dbraw/zinc/03/19/80/1070031980.db2.gz SOMSPPKDUSXZHU-HRCADAONSA-N 1 0 408.499 -0.543 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1=O ZINC000516603235 1070031760 /nfs/dbraw/zinc/03/17/60/1070031760.db2.gz SOMSPPKDUSXZHU-OAGGEKHMSA-N 1 0 408.499 -0.543 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1=O ZINC000516603236 1070031679 /nfs/dbraw/zinc/03/16/79/1070031679.db2.gz SOMSPPKDUSXZHU-PMPSAXMXSA-N 1 0 408.499 -0.543 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000516613710 1070034465 /nfs/dbraw/zinc/03/44/65/1070034465.db2.gz DZHIVUWICHNBCU-INIZCTEOSA-N 1 0 420.514 -0.070 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000516613711 1070034704 /nfs/dbraw/zinc/03/47/04/1070034704.db2.gz DZHIVUWICHNBCU-MRXNPFEDSA-N 1 0 420.514 -0.070 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3nc(C)nn3c2)CC1 ZINC000516690309 1070040108 /nfs/dbraw/zinc/04/01/08/1070040108.db2.gz HHEVLBQNIYRXKE-UHFFFAOYSA-N 1 0 401.471 -0.011 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000516707688 1070041264 /nfs/dbraw/zinc/04/12/64/1070041264.db2.gz CJMVJXHDQATODT-CVEARBPZSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000516707689 1070040922 /nfs/dbraw/zinc/04/09/22/1070040922.db2.gz CJMVJXHDQATODT-HOTGVXAUSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000516707690 1070041020 /nfs/dbraw/zinc/04/10/20/1070041020.db2.gz CJMVJXHDQATODT-HZPDHXFCSA-N 1 0 418.498 -0.377 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000516707691 1070041198 /nfs/dbraw/zinc/04/11/98/1070041198.db2.gz CJMVJXHDQATODT-JKSUJKDBSA-N 1 0 418.498 -0.377 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000516711536 1070041751 /nfs/dbraw/zinc/04/17/51/1070041751.db2.gz DXFDZBGQAQDLIU-GFCCVEGCSA-N 1 0 402.455 -0.581 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000516711537 1070041975 /nfs/dbraw/zinc/04/19/75/1070041975.db2.gz DXFDZBGQAQDLIU-LBPRGKRZSA-N 1 0 402.455 -0.581 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000516745276 1070044782 /nfs/dbraw/zinc/04/47/82/1070044782.db2.gz FAMGSWOKDLFFAA-MSOLQXFVSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000516745277 1070044576 /nfs/dbraw/zinc/04/45/76/1070044576.db2.gz FAMGSWOKDLFFAA-QZTJIDSGSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000516745278 1070044993 /nfs/dbraw/zinc/04/49/93/1070044993.db2.gz FAMGSWOKDLFFAA-ROUUACIJSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000516745279 1070045703 /nfs/dbraw/zinc/04/57/03/1070045703.db2.gz FAMGSWOKDLFFAA-ZWKOTPCHSA-N 1 0 418.494 -0.078 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCC[NH+]1CCOCC1 ZINC000516751232 1070044112 /nfs/dbraw/zinc/04/41/12/1070044112.db2.gz RCDGZMPBRLULGQ-UHFFFAOYSA-N 1 0 412.468 -0.530 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000516753721 1070043933 /nfs/dbraw/zinc/04/39/33/1070043933.db2.gz YRPWRWMOAKUNPG-CABCVRRESA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000516753722 1070043858 /nfs/dbraw/zinc/04/38/58/1070043858.db2.gz YRPWRWMOAKUNPG-GJZGRUSLSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000516753723 1070044055 /nfs/dbraw/zinc/04/40/55/1070044055.db2.gz YRPWRWMOAKUNPG-HUUCEWRRSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000516753724 1070044216 /nfs/dbraw/zinc/04/42/16/1070044216.db2.gz YRPWRWMOAKUNPG-LSDHHAIUSA-N 1 0 403.549 -0.361 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000516753782 1070044541 /nfs/dbraw/zinc/04/45/41/1070044541.db2.gz DBPTVGMXEOWIQQ-MSOLQXFVSA-N 1 0 402.495 -0.005 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000516753783 1070044827 /nfs/dbraw/zinc/04/48/27/1070044827.db2.gz DBPTVGMXEOWIQQ-QZTJIDSGSA-N 1 0 402.495 -0.005 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC000516753784 1070044803 /nfs/dbraw/zinc/04/48/03/1070044803.db2.gz DBPTVGMXEOWIQQ-ROUUACIJSA-N 1 0 402.495 -0.005 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC000516753785 1070044617 /nfs/dbraw/zinc/04/46/17/1070044617.db2.gz DBPTVGMXEOWIQQ-ZWKOTPCHSA-N 1 0 402.495 -0.005 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCN2C1=O ZINC000516785208 1070047145 /nfs/dbraw/zinc/04/71/45/1070047145.db2.gz HEFMWIDTXHLCEI-DOTOQJQBSA-N 1 0 415.475 -0.312 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCN2C1=O ZINC000516785209 1070046803 /nfs/dbraw/zinc/04/68/03/1070046803.db2.gz HEFMWIDTXHLCEI-NVXWUHKLSA-N 1 0 415.475 -0.312 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCN2C1=O ZINC000516785210 1070046859 /nfs/dbraw/zinc/04/68/59/1070046859.db2.gz HEFMWIDTXHLCEI-RDJZCZTQSA-N 1 0 415.475 -0.312 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CCN2C1=O ZINC000516785211 1070047745 /nfs/dbraw/zinc/04/77/45/1070047745.db2.gz HEFMWIDTXHLCEI-WBVHZDCISA-N 1 0 415.475 -0.312 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000516797727 1070051016 /nfs/dbraw/zinc/05/10/16/1070051016.db2.gz IOCOZLBQXXALRO-BRWVUGGUSA-N 1 0 404.515 -0.098 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000516797728 1070050778 /nfs/dbraw/zinc/05/07/78/1070050778.db2.gz IOCOZLBQXXALRO-IKGGRYGDSA-N 1 0 404.515 -0.098 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000516797729 1070051572 /nfs/dbraw/zinc/05/15/72/1070051572.db2.gz IOCOZLBQXXALRO-IXDOHACOSA-N 1 0 404.515 -0.098 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000516797730 1070051613 /nfs/dbraw/zinc/05/16/13/1070051613.db2.gz IOCOZLBQXXALRO-ZACQAIPSSA-N 1 0 404.515 -0.098 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000516798422 1070051385 /nfs/dbraw/zinc/05/13/85/1070051385.db2.gz VNKHFPSCLOJSPJ-UHFFFAOYSA-N 1 0 413.486 -0.633 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCCO1 ZINC000516805331 1070048687 /nfs/dbraw/zinc/04/86/87/1070048687.db2.gz IDQNPZDCUQEUPQ-DLBZAZTESA-N 1 0 410.515 -0.547 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCCO1 ZINC000516805332 1070048939 /nfs/dbraw/zinc/04/89/39/1070048939.db2.gz IDQNPZDCUQEUPQ-IAGOWNOFSA-N 1 0 410.515 -0.547 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCO1 ZINC000516805333 1070049141 /nfs/dbraw/zinc/04/91/41/1070049141.db2.gz IDQNPZDCUQEUPQ-IRXDYDNUSA-N 1 0 410.515 -0.547 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCO1 ZINC000516805334 1070049067 /nfs/dbraw/zinc/04/90/67/1070049067.db2.gz IDQNPZDCUQEUPQ-SJORKVTESA-N 1 0 410.515 -0.547 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808319 1070055902 /nfs/dbraw/zinc/05/59/02/1070055902.db2.gz OTELRDVGMXBPSW-INIZCTEOSA-N 1 0 421.542 -0.058 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808320 1070056057 /nfs/dbraw/zinc/05/60/57/1070056057.db2.gz OTELRDVGMXBPSW-MRXNPFEDSA-N 1 0 421.542 -0.058 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 ZINC000516824620 1070057489 /nfs/dbraw/zinc/05/74/89/1070057489.db2.gz LJSCPKOESAYIFR-FQEVSTJZSA-N 1 0 420.535 -0.074 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 ZINC000516824621 1070057240 /nfs/dbraw/zinc/05/72/40/1070057240.db2.gz LJSCPKOESAYIFR-HXUWFJFHSA-N 1 0 420.535 -0.074 20 0 HBADRO C[NH+]1CCN(CCNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000516846753 1070058663 /nfs/dbraw/zinc/05/86/63/1070058663.db2.gz MRVQWHYTJKYPNU-UHFFFAOYSA-N 1 0 416.569 -0.190 20 0 HBADRO Cc1cc(C)n(CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000516880869 1070059613 /nfs/dbraw/zinc/05/96/13/1070059613.db2.gz BIQVHIXJTYPCIT-KRWDZBQOSA-N 1 0 404.515 -0.229 20 0 HBADRO Cc1cc(C)n(CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000516880870 1070059687 /nfs/dbraw/zinc/05/96/87/1070059687.db2.gz BIQVHIXJTYPCIT-QGZVFWFLSA-N 1 0 404.515 -0.229 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCCCC1 ZINC000516882263 1070059788 /nfs/dbraw/zinc/05/97/88/1070059788.db2.gz REJACTXVMPNDOK-KRWDZBQOSA-N 1 0 405.543 -0.256 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCCCC1 ZINC000516882264 1070059746 /nfs/dbraw/zinc/05/97/46/1070059746.db2.gz REJACTXVMPNDOK-QGZVFWFLSA-N 1 0 405.543 -0.256 20 0 HBADRO CNC(=O)CCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000516884308 1070060665 /nfs/dbraw/zinc/06/06/65/1070060665.db2.gz XBMADXBZARMPRM-KRWDZBQOSA-N 1 0 417.510 -0.405 20 0 HBADRO CNC(=O)CCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000516884309 1070060352 /nfs/dbraw/zinc/06/03/52/1070060352.db2.gz XBMADXBZARMPRM-QGZVFWFLSA-N 1 0 417.510 -0.405 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1=O ZINC000516888873 1070061136 /nfs/dbraw/zinc/06/11/36/1070061136.db2.gz LFOGDWMWTYSTBY-CYBMUJFWSA-N 1 0 416.500 -0.762 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1=O ZINC000516888874 1070061187 /nfs/dbraw/zinc/06/11/87/1070061187.db2.gz LFOGDWMWTYSTBY-ZDUSSCGKSA-N 1 0 416.500 -0.762 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1=O ZINC000516890043 1070061230 /nfs/dbraw/zinc/06/12/30/1070061230.db2.gz OQBXNFCQOFLQLF-UHFFFAOYSA-N 1 0 405.499 -0.035 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)ccn1 ZINC000516890291 1070061308 /nfs/dbraw/zinc/06/13/08/1070061308.db2.gz WDTBQWSRUWIYKH-UHFFFAOYSA-N 1 0 407.515 -0.447 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516893276 1070061782 /nfs/dbraw/zinc/06/17/82/1070061782.db2.gz BRIRJNPBTSUVRW-HZPDHXFCSA-N 1 0 416.544 -0.903 20 0 HBADRO CCC(=O)NCc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000516938570 1070065272 /nfs/dbraw/zinc/06/52/72/1070065272.db2.gz RKQGGYUWMUIJIU-DZGCQCFKSA-N 1 0 410.496 -0.346 20 0 HBADRO CCC(=O)NCc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000516938571 1070064984 /nfs/dbraw/zinc/06/49/84/1070064984.db2.gz RKQGGYUWMUIJIU-HIFRSBDPSA-N 1 0 410.496 -0.346 20 0 HBADRO CCC(=O)NCc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000516938572 1070064900 /nfs/dbraw/zinc/06/49/00/1070064900.db2.gz RKQGGYUWMUIJIU-UKRRQHHQSA-N 1 0 410.496 -0.346 20 0 HBADRO CCC(=O)NCc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000516938573 1070065134 /nfs/dbraw/zinc/06/51/34/1070065134.db2.gz RKQGGYUWMUIJIU-ZFWWWQNUSA-N 1 0 410.496 -0.346 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000516958913 1070066361 /nfs/dbraw/zinc/06/63/61/1070066361.db2.gz VMPRYCXDHWFZRS-AWEZNQCLSA-N 1 0 406.487 -0.284 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000516958914 1070066583 /nfs/dbraw/zinc/06/65/83/1070066583.db2.gz VMPRYCXDHWFZRS-CQSZACIVSA-N 1 0 406.487 -0.284 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000516990316 1070066999 /nfs/dbraw/zinc/06/69/99/1070066999.db2.gz DZYZCHBOOKWTLO-BEFAXECRSA-N 1 0 402.495 -0.051 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000516990317 1070067237 /nfs/dbraw/zinc/06/72/37/1070067237.db2.gz DZYZCHBOOKWTLO-DNVCBOLYSA-N 1 0 402.495 -0.051 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000516990318 1070066884 /nfs/dbraw/zinc/06/68/84/1070066884.db2.gz DZYZCHBOOKWTLO-HNAYVOBHSA-N 1 0 402.495 -0.051 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000516990319 1070067105 /nfs/dbraw/zinc/06/71/05/1070067105.db2.gz DZYZCHBOOKWTLO-KXBFYZLASA-N 1 0 402.495 -0.051 20 0 HBADRO CN(C)S(=O)(=O)n1ccnc1CN[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000517001869 1070068120 /nfs/dbraw/zinc/06/81/20/1070068120.db2.gz YGYZOPRULHOYJG-KRWDZBQOSA-N 1 0 422.555 -0.084 20 0 HBADRO CO[C@H]1C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)N(S(C)(=O)=O)C1 ZINC000517004317 1070068162 /nfs/dbraw/zinc/06/81/62/1070068162.db2.gz YPNKADQWEMBFFB-IXDOHACOSA-N 1 0 402.561 -0.338 20 0 HBADRO CO[C@H]1C[C@H](C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)N(S(C)(=O)=O)C1 ZINC000517004319 1070068253 /nfs/dbraw/zinc/06/82/53/1070068253.db2.gz YPNKADQWEMBFFB-YESZJQIVSA-N 1 0 402.561 -0.338 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517044513 1070069145 /nfs/dbraw/zinc/06/91/45/1070069145.db2.gz AHIOVXJLSOKTAX-KRWDZBQOSA-N 1 0 408.524 -0.301 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517044514 1070069113 /nfs/dbraw/zinc/06/91/13/1070069113.db2.gz AHIOVXJLSOKTAX-QGZVFWFLSA-N 1 0 408.524 -0.301 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000517046164 1070069732 /nfs/dbraw/zinc/06/97/32/1070069732.db2.gz SBYJOYGQBWRVSV-UHFFFAOYSA-N 1 0 407.559 -0.153 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000517050110 1070069840 /nfs/dbraw/zinc/06/98/40/1070069840.db2.gz GNHUQWVDQHREBH-GFCCVEGCSA-N 1 0 408.484 -0.151 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000517050111 1070069640 /nfs/dbraw/zinc/06/96/40/1070069640.db2.gz GNHUQWVDQHREBH-LBPRGKRZSA-N 1 0 408.484 -0.151 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000517050352 1070069703 /nfs/dbraw/zinc/06/97/03/1070069703.db2.gz OTDXWIWKIKEOGT-AWEZNQCLSA-N 1 0 404.558 -0.101 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000517050353 1070069577 /nfs/dbraw/zinc/06/95/77/1070069577.db2.gz OTDXWIWKIKEOGT-CQSZACIVSA-N 1 0 404.558 -0.101 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000517054234 1071577834 /nfs/dbraw/zinc/57/78/34/1071577834.db2.gz FHVJFGDYNIRHCZ-UHFFFAOYSA-N 1 0 407.490 -0.216 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000517055042 1070068498 /nfs/dbraw/zinc/06/84/98/1070068498.db2.gz IQJJYLSLTJHGND-UHFFFAOYSA-N 1 0 409.531 -0.578 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000517076304 1070070875 /nfs/dbraw/zinc/07/08/75/1070070875.db2.gz BQKJUPPKBFTYRL-UHFFFAOYSA-N 1 0 400.476 -0.274 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000517080213 1070070171 /nfs/dbraw/zinc/07/01/71/1070070171.db2.gz NCLKQDNUSNZLBM-UHFFFAOYSA-N 1 0 409.512 -0.002 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000517093078 1070071449 /nfs/dbraw/zinc/07/14/49/1070071449.db2.gz ULLUEPCJMKDIKJ-CVEARBPZSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000517093079 1070071606 /nfs/dbraw/zinc/07/16/06/1070071606.db2.gz ULLUEPCJMKDIKJ-HOTGVXAUSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000517093080 1070071494 /nfs/dbraw/zinc/07/14/94/1070071494.db2.gz ULLUEPCJMKDIKJ-HZPDHXFCSA-N 1 0 403.545 -0.161 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000517093081 1070071273 /nfs/dbraw/zinc/07/12/73/1070071273.db2.gz ULLUEPCJMKDIKJ-JKSUJKDBSA-N 1 0 403.545 -0.161 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C(=O)C1=O ZINC000517094016 1070071323 /nfs/dbraw/zinc/07/13/23/1070071323.db2.gz FPXGNQQKWQXYIJ-UHFFFAOYSA-N 1 0 402.495 -0.050 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517101378 1070072990 /nfs/dbraw/zinc/07/29/90/1070072990.db2.gz XXQBPOSXHVNNOE-UHFFFAOYSA-N 1 0 421.527 -0.205 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000517103253 1070072925 /nfs/dbraw/zinc/07/29/25/1070072925.db2.gz QMOQQDFOIDZWTF-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000517103254 1070072872 /nfs/dbraw/zinc/07/28/72/1070072872.db2.gz QMOQQDFOIDZWTF-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000517104451 1070072816 /nfs/dbraw/zinc/07/28/16/1070072816.db2.gz WULPISJWJGMVEU-INIZCTEOSA-N 1 0 423.514 -0.654 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000517104452 1070072522 /nfs/dbraw/zinc/07/25/22/1070072522.db2.gz WULPISJWJGMVEU-MRXNPFEDSA-N 1 0 423.514 -0.654 20 0 HBADRO Cn1c2ncc(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2c(=O)n(C)c1=O ZINC000517115430 1070073442 /nfs/dbraw/zinc/07/34/42/1070073442.db2.gz OJLQMXVVGCFHJC-GFCCVEGCSA-N 1 0 417.470 -0.659 20 0 HBADRO Cn1c2ncc(NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2c(=O)n(C)c1=O ZINC000517115431 1070073253 /nfs/dbraw/zinc/07/32/53/1070073253.db2.gz OJLQMXVVGCFHJC-LBPRGKRZSA-N 1 0 417.470 -0.659 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000517127759 1070074095 /nfs/dbraw/zinc/07/40/95/1070074095.db2.gz ZWRWDHDDXCUEJW-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[N@H+](C)C1CC1 ZINC000517138299 1070074720 /nfs/dbraw/zinc/07/47/20/1070074720.db2.gz PKIYOOLASASVIN-GFCCVEGCSA-N 1 0 413.500 -0.123 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[N@H+](C)C1CC1 ZINC000517138300 1070074830 /nfs/dbraw/zinc/07/48/30/1070074830.db2.gz PKIYOOLASASVIN-LBPRGKRZSA-N 1 0 413.500 -0.123 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000517151291 1070075826 /nfs/dbraw/zinc/07/58/26/1070075826.db2.gz GBVACPHIIPPFHJ-UHFFFAOYSA-N 1 0 405.499 -0.024 20 0 HBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000517159712 1070077490 /nfs/dbraw/zinc/07/74/90/1070077490.db2.gz VKMWVTSXHAOVKK-GOSISDBHSA-N 1 0 420.510 -0.003 20 0 HBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000517159713 1070077302 /nfs/dbraw/zinc/07/73/02/1070077302.db2.gz VKMWVTSXHAOVKK-SFHVURJKSA-N 1 0 420.510 -0.003 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCCC1 ZINC000517167497 1070076886 /nfs/dbraw/zinc/07/68/86/1070076886.db2.gz UELIQJWKMJPAER-GFCCVEGCSA-N 1 0 402.455 -0.581 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCCC1 ZINC000517167498 1070076959 /nfs/dbraw/zinc/07/69/59/1070076959.db2.gz UELIQJWKMJPAER-LBPRGKRZSA-N 1 0 402.455 -0.581 20 0 HBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1OC ZINC000517177231 1070078201 /nfs/dbraw/zinc/07/82/01/1070078201.db2.gz ZHVKJSJHRKJMBO-CMPLNLGQSA-N 1 0 416.887 -0.359 20 0 HBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1OC ZINC000517177232 1070078032 /nfs/dbraw/zinc/07/80/32/1070078032.db2.gz ZHVKJSJHRKJMBO-JQWIXIFHSA-N 1 0 416.887 -0.359 20 0 HBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1OC ZINC000517177233 1070078743 /nfs/dbraw/zinc/07/87/43/1070078743.db2.gz ZHVKJSJHRKJMBO-PWSUYJOCSA-N 1 0 416.887 -0.359 20 0 HBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1OC ZINC000517177234 1070077789 /nfs/dbraw/zinc/07/77/89/1070077789.db2.gz ZHVKJSJHRKJMBO-ZYHUDNBSSA-N 1 0 416.887 -0.359 20 0 HBADRO CC1(C)[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H]2CCCO[C@@H]21 ZINC000517193963 1070081824 /nfs/dbraw/zinc/08/18/24/1070081824.db2.gz BZNGLXWIKHHSCJ-KSZLIROESA-N 1 0 410.559 -0.188 20 0 HBADRO CC1(C)[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H]2CCCO[C@@H]21 ZINC000517193964 1070081749 /nfs/dbraw/zinc/08/17/49/1070081749.db2.gz BZNGLXWIKHHSCJ-KURKYZTESA-N 1 0 410.559 -0.188 20 0 HBADRO CC1(C)[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H]2CCCO[C@H]21 ZINC000517193965 1070081580 /nfs/dbraw/zinc/08/15/80/1070081580.db2.gz BZNGLXWIKHHSCJ-KZNAEPCWSA-N 1 0 410.559 -0.188 20 0 HBADRO CC1(C)[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H]2CCCO[C@H]21 ZINC000517193966 1070081432 /nfs/dbraw/zinc/08/14/32/1070081432.db2.gz BZNGLXWIKHHSCJ-RCCFBDPRSA-N 1 0 410.559 -0.188 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2=O)n(C)n1 ZINC000517195396 1070079583 /nfs/dbraw/zinc/07/95/83/1070079583.db2.gz JXLWYLLNNWJUCE-CVEARBPZSA-N 1 0 420.514 -0.577 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2=O)n(C)n1 ZINC000517195397 1070079937 /nfs/dbraw/zinc/07/99/37/1070079937.db2.gz JXLWYLLNNWJUCE-HOTGVXAUSA-N 1 0 420.514 -0.577 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2=O)n(C)n1 ZINC000517195398 1070080218 /nfs/dbraw/zinc/08/02/18/1070080218.db2.gz JXLWYLLNNWJUCE-HZPDHXFCSA-N 1 0 420.514 -0.577 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2=O)n(C)n1 ZINC000517195399 1070080609 /nfs/dbraw/zinc/08/06/09/1070080609.db2.gz JXLWYLLNNWJUCE-JKSUJKDBSA-N 1 0 420.514 -0.577 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000517200093 1070080369 /nfs/dbraw/zinc/08/03/69/1070080369.db2.gz NRXWPRYOUMQKDH-UHFFFAOYSA-N 1 0 403.487 -0.491 20 0 HBADRO C[N@H+](C[C@H](O)CN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000517204498 1070082662 /nfs/dbraw/zinc/08/26/62/1070082662.db2.gz YHIRLRVHPVPWGG-INIZCTEOSA-N 1 0 403.483 -0.167 20 0 HBADRO C[N@H+](C[C@@H](O)CN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000517204499 1070082819 /nfs/dbraw/zinc/08/28/19/1070082819.db2.gz YHIRLRVHPVPWGG-MRXNPFEDSA-N 1 0 403.483 -0.167 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000517209031 1070082897 /nfs/dbraw/zinc/08/28/97/1070082897.db2.gz ZVPKIWJSOGISNB-GOSISDBHSA-N 1 0 410.496 -0.409 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000517209033 1070082731 /nfs/dbraw/zinc/08/27/31/1070082731.db2.gz ZVPKIWJSOGISNB-SFHVURJKSA-N 1 0 410.496 -0.409 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000517243389 1070083938 /nfs/dbraw/zinc/08/39/38/1070083938.db2.gz LKPKUJUBSYSJTH-KRWDZBQOSA-N 1 0 403.531 -0.343 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000517243390 1070083912 /nfs/dbraw/zinc/08/39/12/1070083912.db2.gz LKPKUJUBSYSJTH-QGZVFWFLSA-N 1 0 403.531 -0.343 20 0 HBADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)C2=O ZINC000517247793 1070084185 /nfs/dbraw/zinc/08/41/85/1070084185.db2.gz UXOAMKMFIHSYGS-AVUKIGBWSA-N 1 0 405.499 -0.106 20 0 HBADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)C2=O ZINC000517247794 1070084116 /nfs/dbraw/zinc/08/41/16/1070084116.db2.gz UXOAMKMFIHSYGS-HFUQMLBGSA-N 1 0 405.499 -0.106 20 0 HBADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)C2=O ZINC000517247795 1070083978 /nfs/dbraw/zinc/08/39/78/1070083978.db2.gz UXOAMKMFIHSYGS-JWHHTLNTSA-N 1 0 405.499 -0.106 20 0 HBADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)C2=O ZINC000517247796 1070083870 /nfs/dbraw/zinc/08/38/70/1070083870.db2.gz UXOAMKMFIHSYGS-VGWCWKRBSA-N 1 0 405.499 -0.106 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000517256794 1070085188 /nfs/dbraw/zinc/08/51/88/1070085188.db2.gz LBFAIPQDIXLHSJ-HNNXBMFYSA-N 1 0 416.544 -0.725 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000517256795 1070085430 /nfs/dbraw/zinc/08/54/30/1070085430.db2.gz LBFAIPQDIXLHSJ-OAHLLOKOSA-N 1 0 416.544 -0.725 20 0 HBADRO COc1c(F)cc(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1S(N)(=O)=O ZINC000517321201 1070089367 /nfs/dbraw/zinc/08/93/67/1070089367.db2.gz VSNLQDVDIFSHNY-UHFFFAOYSA-N 1 0 403.476 -0.061 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)cnc2n(C)c1=O ZINC000517322837 1070089532 /nfs/dbraw/zinc/08/95/32/1070089532.db2.gz RROMZRUDSJPBNT-UHFFFAOYSA-N 1 0 416.482 -0.239 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517335721 1070090226 /nfs/dbraw/zinc/09/02/26/1070090226.db2.gz VZDPZOHYVAVBOY-INIZCTEOSA-N 1 0 416.526 -0.306 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517335723 1070090172 /nfs/dbraw/zinc/09/01/72/1070090172.db2.gz VZDPZOHYVAVBOY-MRXNPFEDSA-N 1 0 416.526 -0.306 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000517373195 1070093842 /nfs/dbraw/zinc/09/38/42/1070093842.db2.gz JVHKYLKWQZPSPY-AWEZNQCLSA-N 1 0 402.542 -0.266 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000517373199 1070094086 /nfs/dbraw/zinc/09/40/86/1070094086.db2.gz JVHKYLKWQZPSPY-CQSZACIVSA-N 1 0 402.542 -0.266 20 0 HBADRO CC(C)(C)Nc1nc(NC[C@H](O)[C@@H]2CCOC2)[nH+]c(NC[C@H](O)[C@@H]2CCOC2)n1 ZINC000517381036 1070093174 /nfs/dbraw/zinc/09/31/74/1070093174.db2.gz ICEBIHZAZJPKBP-KBXIAJHMSA-N 1 0 410.519 -0.456 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(OCC(=O)NC)cc3)C2)CC1 ZINC000517384430 1070094474 /nfs/dbraw/zinc/09/44/74/1070094474.db2.gz ZFOMVVVJTNXZSG-KRWDZBQOSA-N 1 0 417.510 -0.012 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(OCC(=O)NC)cc3)C2)CC1 ZINC000517384431 1070095341 /nfs/dbraw/zinc/09/53/41/1070095341.db2.gz ZFOMVVVJTNXZSG-QGZVFWFLSA-N 1 0 417.510 -0.012 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000517400042 1070096757 /nfs/dbraw/zinc/09/67/57/1070096757.db2.gz JFVKMCVKWTYPIS-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000517400043 1070096450 /nfs/dbraw/zinc/09/64/50/1070096450.db2.gz JFVKMCVKWTYPIS-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000517400126 1070096648 /nfs/dbraw/zinc/09/66/48/1070096648.db2.gz MYCZILOGLJWLBF-HNNXBMFYSA-N 1 0 412.512 -0.692 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000517400127 1070096499 /nfs/dbraw/zinc/09/64/99/1070096499.db2.gz MYCZILOGLJWLBF-OAHLLOKOSA-N 1 0 412.512 -0.692 20 0 HBADRO Cn1c2nc(C3CC3)cc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)c2c(=O)[nH]c1=O ZINC000517402989 1070093744 /nfs/dbraw/zinc/09/37/44/1070093744.db2.gz MEBAZDIMJSUTQU-AWEZNQCLSA-N 1 0 414.466 -0.019 20 0 HBADRO Cn1c2nc(C3CC3)cc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)c2c(=O)[nH]c1=O ZINC000517402990 1070094870 /nfs/dbraw/zinc/09/48/70/1070094870.db2.gz MEBAZDIMJSUTQU-CQSZACIVSA-N 1 0 414.466 -0.019 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000517404148 1070094752 /nfs/dbraw/zinc/09/47/52/1070094752.db2.gz KHHAAUHLZNZBEH-HNNXBMFYSA-N 1 0 410.496 -0.742 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000517404157 1070094411 /nfs/dbraw/zinc/09/44/11/1070094411.db2.gz KHHAAUHLZNZBEH-OAHLLOKOSA-N 1 0 410.496 -0.742 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000517405148 1070097334 /nfs/dbraw/zinc/09/73/34/1070097334.db2.gz BKSGCIOZWIGJFS-INIZCTEOSA-N 1 0 424.527 -0.563 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000517405149 1070097513 /nfs/dbraw/zinc/09/75/13/1070097513.db2.gz BKSGCIOZWIGJFS-MRXNPFEDSA-N 1 0 424.527 -0.563 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000517407607 1070097583 /nfs/dbraw/zinc/09/75/83/1070097583.db2.gz ZHYSFTWQNXEUGL-INIZCTEOSA-N 1 0 410.496 -0.377 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000517407608 1070097451 /nfs/dbraw/zinc/09/74/51/1070097451.db2.gz ZHYSFTWQNXEUGL-MRXNPFEDSA-N 1 0 410.496 -0.377 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)no1 ZINC000517409894 1070097715 /nfs/dbraw/zinc/09/77/15/1070097715.db2.gz FPUYLJBLWVQRPZ-HNNXBMFYSA-N 1 0 421.502 -0.411 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000517409909 1069596255 /nfs/dbraw/zinc/59/62/55/1069596255.db2.gz FPUYLJBLWVQRPZ-OAHLLOKOSA-N 1 0 421.502 -0.411 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2=O)n(C)n1 ZINC000517420898 1070097277 /nfs/dbraw/zinc/09/72/77/1070097277.db2.gz HPFCVRZLYHALMX-HNNXBMFYSA-N 1 0 419.530 -0.908 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2=O)n(C)n1 ZINC000517420900 1070097552 /nfs/dbraw/zinc/09/75/52/1070097552.db2.gz HPFCVRZLYHALMX-OAHLLOKOSA-N 1 0 419.530 -0.908 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000517426010 1070099481 /nfs/dbraw/zinc/09/94/81/1070099481.db2.gz GOVOJLCHDMHKQT-BETUJISGSA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000517426011 1070099165 /nfs/dbraw/zinc/09/91/65/1070099165.db2.gz GOVOJLCHDMHKQT-CHWSQXEVSA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000517426012 1070099336 /nfs/dbraw/zinc/09/93/36/1070099336.db2.gz GOVOJLCHDMHKQT-STQMWFEESA-N 1 0 416.482 -0.050 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCCN1C(=O)CNC1=O ZINC000517488936 1070103367 /nfs/dbraw/zinc/10/33/67/1070103367.db2.gz CBCCIQXUQXRVPZ-UHFFFAOYSA-N 1 0 418.502 -0.380 20 0 HBADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000517544114 1070106959 /nfs/dbraw/zinc/10/69/59/1070106959.db2.gz FCCVCAWPBBNTGI-IBGZPJMESA-N 1 0 409.508 -0.106 20 0 HBADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000517544115 1070106780 /nfs/dbraw/zinc/10/67/80/1070106780.db2.gz FCCVCAWPBBNTGI-LJQANCHMSA-N 1 0 409.508 -0.106 20 0 HBADRO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517555727 1070107729 /nfs/dbraw/zinc/10/77/29/1070107729.db2.gz BQLJRTYSEFKPOJ-UHFFFAOYSA-N 1 0 411.466 -0.025 20 0 HBADRO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517573829 1070108593 /nfs/dbraw/zinc/10/85/93/1070108593.db2.gz QOQNMCWFDHDSAA-UHFFFAOYSA-N 1 0 411.466 -0.025 20 0 HBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000517597199 1070114351 /nfs/dbraw/zinc/11/43/51/1070114351.db2.gz KBHAADYCFTZPMH-KRWDZBQOSA-N 1 0 403.527 -0.316 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000517597200 1070114448 /nfs/dbraw/zinc/11/44/48/1070114448.db2.gz KBHAADYCFTZPMH-QGZVFWFLSA-N 1 0 403.527 -0.316 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000517605827 1070113080 /nfs/dbraw/zinc/11/30/80/1070113080.db2.gz BIEJJVMTLJUJKB-INIZCTEOSA-N 1 0 407.515 -0.684 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000517605828 1070112852 /nfs/dbraw/zinc/11/28/52/1070112852.db2.gz BIEJJVMTLJUJKB-MRXNPFEDSA-N 1 0 407.515 -0.684 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCCO1 ZINC000517613907 1070116117 /nfs/dbraw/zinc/11/61/17/1070116117.db2.gz WFDQITIKGONESQ-INIZCTEOSA-N 1 0 409.531 -0.974 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCCO1 ZINC000517613908 1070117250 /nfs/dbraw/zinc/11/72/50/1070117250.db2.gz WFDQITIKGONESQ-MRXNPFEDSA-N 1 0 409.531 -0.974 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000517618458 1070117171 /nfs/dbraw/zinc/11/71/71/1070117171.db2.gz JYXHIVRPYILHBH-UHFFFAOYSA-N 1 0 415.487 -0.210 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000517619639 1070117836 /nfs/dbraw/zinc/11/78/36/1070117836.db2.gz FBSRBNSDQNCDID-GOSISDBHSA-N 1 0 419.478 -0.372 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000517619640 1070117887 /nfs/dbraw/zinc/11/78/87/1070117887.db2.gz FBSRBNSDQNCDID-SFHVURJKSA-N 1 0 419.478 -0.372 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000517636890 1070120807 /nfs/dbraw/zinc/12/08/07/1070120807.db2.gz IEJWMSOUPVSYRZ-FQEVSTJZSA-N 1 0 404.467 -0.791 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000517636892 1070120608 /nfs/dbraw/zinc/12/06/08/1070120608.db2.gz IEJWMSOUPVSYRZ-HXUWFJFHSA-N 1 0 404.467 -0.791 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)CC1 ZINC000517641664 1070123395 /nfs/dbraw/zinc/12/33/95/1070123395.db2.gz ZXTNSIBDTTZCRZ-UHFFFAOYSA-N 1 0 414.510 -0.268 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)c(=O)n2C ZINC000517652557 1070122493 /nfs/dbraw/zinc/12/24/93/1070122493.db2.gz GHNBLYSRFIZHRN-UHFFFAOYSA-N 1 0 412.454 -0.781 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652596 1070122417 /nfs/dbraw/zinc/12/24/17/1070122417.db2.gz LDBQFKWQWXFICM-CABCVRRESA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652597 1070122266 /nfs/dbraw/zinc/12/22/66/1070122266.db2.gz LDBQFKWQWXFICM-GJZGRUSLSA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652598 1070122474 /nfs/dbraw/zinc/12/24/74/1070122474.db2.gz LDBQFKWQWXFICM-HUUCEWRRSA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652599 1070122398 /nfs/dbraw/zinc/12/23/98/1070122398.db2.gz LDBQFKWQWXFICM-LSDHHAIUSA-N 1 0 421.523 -0.193 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679077 1070128696 /nfs/dbraw/zinc/12/86/96/1070128696.db2.gz YULZZDKHRHMFPG-DLBZAZTESA-N 1 0 409.531 -0.844 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679078 1070128442 /nfs/dbraw/zinc/12/84/42/1070128442.db2.gz YULZZDKHRHMFPG-IAGOWNOFSA-N 1 0 409.531 -0.844 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679111 1070128487 /nfs/dbraw/zinc/12/84/87/1070128487.db2.gz YULZZDKHRHMFPG-IRXDYDNUSA-N 1 0 409.531 -0.844 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679113 1070128630 /nfs/dbraw/zinc/12/86/30/1070128630.db2.gz YULZZDKHRHMFPG-SJORKVTESA-N 1 0 409.531 -0.844 20 0 HBADRO Cn1c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517685421 1070129339 /nfs/dbraw/zinc/12/93/39/1070129339.db2.gz LQADKXWJNAPUBK-UHFFFAOYSA-N 1 0 416.526 -0.325 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000517685966 1070130162 /nfs/dbraw/zinc/13/01/62/1070130162.db2.gz DAGLWHJXKVWGPN-UHFFFAOYSA-N 1 0 422.551 -0.141 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000517701774 1070132209 /nfs/dbraw/zinc/13/22/09/1070132209.db2.gz VATYMZKBCPKHEE-AWEZNQCLSA-N 1 0 402.542 -0.255 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000517701775 1070131911 /nfs/dbraw/zinc/13/19/11/1070131911.db2.gz VATYMZKBCPKHEE-CQSZACIVSA-N 1 0 402.542 -0.255 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000517725507 1070134486 /nfs/dbraw/zinc/13/44/86/1070134486.db2.gz YDFGBNJXIUGOOO-KRWDZBQOSA-N 1 0 423.539 -0.046 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000517725508 1070134807 /nfs/dbraw/zinc/13/48/07/1070134807.db2.gz YDFGBNJXIUGOOO-QGZVFWFLSA-N 1 0 423.539 -0.046 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000517750510 1070136220 /nfs/dbraw/zinc/13/62/20/1070136220.db2.gz MNTGYMBNJCLSIV-KRWDZBQOSA-N 1 0 419.526 -0.731 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000517750511 1068281312 /nfs/dbraw/zinc/28/13/12/1068281312.db2.gz MNTGYMBNJCLSIV-QGZVFWFLSA-N 1 0 419.526 -0.731 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CCN2C1=O ZINC000517758634 1070138968 /nfs/dbraw/zinc/13/89/68/1070138968.db2.gz AOFRYNTXCLQWKN-GXTWGEPZSA-N 1 0 412.537 -0.155 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CCN2C1=O ZINC000517758635 1070139125 /nfs/dbraw/zinc/13/91/25/1070139125.db2.gz AOFRYNTXCLQWKN-JSGCOSHPSA-N 1 0 412.537 -0.155 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CCN2C1=O ZINC000517758636 1070139075 /nfs/dbraw/zinc/13/90/75/1070139075.db2.gz AOFRYNTXCLQWKN-OCCSQVGLSA-N 1 0 412.537 -0.155 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CCN2C1=O ZINC000517758637 1070138850 /nfs/dbraw/zinc/13/88/50/1070138850.db2.gz AOFRYNTXCLQWKN-TZMCWYRMSA-N 1 0 412.537 -0.155 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)ccn1 ZINC000517776317 1070142155 /nfs/dbraw/zinc/14/21/55/1070142155.db2.gz AHRNJEOGAJTWSF-UHFFFAOYSA-N 1 0 417.388 -0.171 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000517778779 1070143086 /nfs/dbraw/zinc/14/30/86/1070143086.db2.gz BRGJWBZEIRGIAA-UHFFFAOYSA-N 1 0 419.530 -0.702 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC000517782558 1070143729 /nfs/dbraw/zinc/14/37/29/1070143729.db2.gz QVIUFOBECGRQPZ-UHFFFAOYSA-N 1 0 419.526 -0.167 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@H+](C)Cc3ccccc3)cnc2n(C)c1=O ZINC000517795079 1070145619 /nfs/dbraw/zinc/14/56/19/1070145619.db2.gz GTQANCZXVSBJOL-UHFFFAOYSA-N 1 0 424.461 -0.181 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000517799428 1070147265 /nfs/dbraw/zinc/14/72/65/1070147265.db2.gz DITKLYSUXXZADM-INIZCTEOSA-N 1 0 412.560 -0.209 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000517799431 1070147240 /nfs/dbraw/zinc/14/72/40/1070147240.db2.gz DITKLYSUXXZADM-MRXNPFEDSA-N 1 0 412.560 -0.209 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000517838983 1070151589 /nfs/dbraw/zinc/15/15/89/1070151589.db2.gz ROIQYWAMWIODLW-GOSISDBHSA-N 1 0 408.543 -0.072 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000517838992 1070151512 /nfs/dbraw/zinc/15/15/12/1070151512.db2.gz ROIQYWAMWIODLW-SFHVURJKSA-N 1 0 408.543 -0.072 20 0 HBADRO Cn1c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517841213 1070151508 /nfs/dbraw/zinc/15/15/08/1070151508.db2.gz KYWSFTVLIJIEPX-UHFFFAOYSA-N 1 0 403.483 -0.050 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000517863890 1070155028 /nfs/dbraw/zinc/15/50/28/1070155028.db2.gz BQNSXVRVTCBPSJ-INIZCTEOSA-N 1 0 422.530 -0.950 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000517863894 1068521896 /nfs/dbraw/zinc/52/18/96/1068521896.db2.gz BQNSXVRVTCBPSJ-MRXNPFEDSA-N 1 0 422.530 -0.950 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000517865844 1070155112 /nfs/dbraw/zinc/15/51/12/1070155112.db2.gz QXAGHPMTNGZLJH-CABCVRRESA-N 1 0 403.549 -0.455 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000517865845 1070155013 /nfs/dbraw/zinc/15/50/13/1070155013.db2.gz QXAGHPMTNGZLJH-GJZGRUSLSA-N 1 0 403.549 -0.455 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000517865846 1070154903 /nfs/dbraw/zinc/15/49/03/1070154903.db2.gz QXAGHPMTNGZLJH-HUUCEWRRSA-N 1 0 403.549 -0.455 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000517865847 1070155063 /nfs/dbraw/zinc/15/50/63/1070155063.db2.gz QXAGHPMTNGZLJH-LSDHHAIUSA-N 1 0 403.549 -0.455 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000517866959 1070154169 /nfs/dbraw/zinc/15/41/69/1070154169.db2.gz IHBSVUYUBDORSQ-HNNXBMFYSA-N 1 0 411.528 -0.019 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000517866960 1070153972 /nfs/dbraw/zinc/15/39/72/1070153972.db2.gz IHBSVUYUBDORSQ-OAHLLOKOSA-N 1 0 411.528 -0.019 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000517914151 1070157806 /nfs/dbraw/zinc/15/78/06/1070157806.db2.gz UVPSJFOXTRBMHV-UHFFFAOYSA-N 1 0 406.491 -0.828 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000517919570 1070158367 /nfs/dbraw/zinc/15/83/67/1070158367.db2.gz HQJGLULMTWDORM-UHFFFAOYSA-N 1 0 407.519 -0.265 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000517931678 1070158612 /nfs/dbraw/zinc/15/86/12/1070158612.db2.gz HSXZFYOXFHDWNB-UHFFFAOYSA-N 1 0 424.523 -0.399 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[N@@H+]1C1CC1 ZINC000517952530 1070161148 /nfs/dbraw/zinc/16/11/48/1070161148.db2.gz SCFJUZFONXDGFA-DOMZBBRYSA-N 1 0 401.467 -0.076 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[N@@H+]1C1CC1 ZINC000517952531 1070161046 /nfs/dbraw/zinc/16/10/46/1070161046.db2.gz SCFJUZFONXDGFA-IUODEOHRSA-N 1 0 401.467 -0.076 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[N@@H+]1C1CC1 ZINC000517952532 1070161108 /nfs/dbraw/zinc/16/11/08/1070161108.db2.gz SCFJUZFONXDGFA-SWLSCSKDSA-N 1 0 401.467 -0.076 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[N@@H+]1C1CC1 ZINC000517952533 1070161174 /nfs/dbraw/zinc/16/11/74/1070161174.db2.gz SCFJUZFONXDGFA-WFASDCNBSA-N 1 0 401.467 -0.076 20 0 HBADRO C[C@@H](NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21)C(=O)NCC[NH+](C)C ZINC000517977377 1070162167 /nfs/dbraw/zinc/16/21/67/1070162167.db2.gz IVWRQUDZMNXSRZ-LLVKDONJSA-N 1 0 413.438 -0.116 20 0 HBADRO C[C@H](NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21)C(=O)NCC[NH+](C)C ZINC000517977380 1070162099 /nfs/dbraw/zinc/16/20/99/1070162099.db2.gz IVWRQUDZMNXSRZ-NSHDSACASA-N 1 0 413.438 -0.116 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 ZINC000517978531 1070162045 /nfs/dbraw/zinc/16/20/45/1070162045.db2.gz JTNOPTFDOHPLOW-UHFFFAOYSA-N 1 0 410.469 -0.141 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000517982879 1070163968 /nfs/dbraw/zinc/16/39/68/1070163968.db2.gz SEUBBHLFNOIXQZ-DZGCQCFKSA-N 1 0 406.487 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)no1 ZINC000517982882 1070164629 /nfs/dbraw/zinc/16/46/29/1070164629.db2.gz SEUBBHLFNOIXQZ-HIFRSBDPSA-N 1 0 406.487 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)no1 ZINC000517982884 1070163986 /nfs/dbraw/zinc/16/39/86/1070163986.db2.gz SEUBBHLFNOIXQZ-UKRRQHHQSA-N 1 0 406.487 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000517982885 1070164653 /nfs/dbraw/zinc/16/46/53/1070164653.db2.gz SEUBBHLFNOIXQZ-ZFWWWQNUSA-N 1 0 406.487 -0.335 20 0 HBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000517995078 1070166619 /nfs/dbraw/zinc/16/66/19/1070166619.db2.gz VOEAYHSEAUCXJQ-HRBLRVMOSA-N 1 0 405.543 -0.117 20 0 HBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000517995079 1070166453 /nfs/dbraw/zinc/16/64/53/1070166453.db2.gz VOEAYHSEAUCXJQ-XNHLSEOASA-N 1 0 405.543 -0.117 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000517996247 1070167525 /nfs/dbraw/zinc/16/75/25/1070167525.db2.gz RBIBEVNKDWTDGZ-CVEARBPZSA-N 1 0 404.515 -0.173 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000517996248 1070167331 /nfs/dbraw/zinc/16/73/31/1070167331.db2.gz RBIBEVNKDWTDGZ-HOTGVXAUSA-N 1 0 404.515 -0.173 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000517996249 1070167510 /nfs/dbraw/zinc/16/75/10/1070167510.db2.gz RBIBEVNKDWTDGZ-HZPDHXFCSA-N 1 0 404.515 -0.173 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000517996250 1070167481 /nfs/dbraw/zinc/16/74/81/1070167481.db2.gz RBIBEVNKDWTDGZ-JKSUJKDBSA-N 1 0 404.515 -0.173 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000517999502 1070168230 /nfs/dbraw/zinc/16/82/30/1070168230.db2.gz SPVSBBQDRAQBHN-MRXNPFEDSA-N 1 0 418.560 -0.468 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000518006450 1070165820 /nfs/dbraw/zinc/16/58/20/1070165820.db2.gz ABDHUPMCJDCEOF-UHFFFAOYSA-N 1 0 422.530 -0.380 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000518021346 1070170203 /nfs/dbraw/zinc/17/02/03/1070170203.db2.gz KZTXHKGWJBIOBH-UHFFFAOYSA-N 1 0 402.293 -0.145 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000518024212 1070169243 /nfs/dbraw/zinc/16/92/43/1070169243.db2.gz ZXMNVGNHXZUACM-KRWDZBQOSA-N 1 0 418.546 -0.550 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000518024219 1070169137 /nfs/dbraw/zinc/16/91/37/1070169137.db2.gz ZXMNVGNHXZUACM-QGZVFWFLSA-N 1 0 418.546 -0.550 20 0 HBADRO Cn1c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518029365 1070172039 /nfs/dbraw/zinc/17/20/39/1070172039.db2.gz ZBGGGXIBMNXLKK-UHFFFAOYSA-N 1 0 402.499 -0.571 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000518035895 1068531111 /nfs/dbraw/zinc/53/11/11/1068531111.db2.gz CRSWMQILRXAEJZ-UHFFFAOYSA-N 1 0 413.478 -0.709 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000518037565 1068531023 /nfs/dbraw/zinc/53/10/23/1068531023.db2.gz FHIXXUPGBMAHSC-UHFFFAOYSA-N 1 0 424.523 -0.210 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000518043813 1070175001 /nfs/dbraw/zinc/17/50/01/1070175001.db2.gz WHBCNNRBKGVAKG-GFCCVEGCSA-N 1 0 414.304 -0.050 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000518043818 1070174903 /nfs/dbraw/zinc/17/49/03/1070174903.db2.gz WHBCNNRBKGVAKG-LBPRGKRZSA-N 1 0 414.304 -0.050 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000518051837 1070174122 /nfs/dbraw/zinc/17/41/22/1070174122.db2.gz IEICAVUTWKMGEE-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000518051839 1070174174 /nfs/dbraw/zinc/17/41/74/1070174174.db2.gz IEICAVUTWKMGEE-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000518052666 1070174222 /nfs/dbraw/zinc/17/42/22/1070174222.db2.gz SVTNMLJFHCGDAG-UHFFFAOYSA-N 1 0 414.528 -0.131 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000518053335 1070174937 /nfs/dbraw/zinc/17/49/37/1070174937.db2.gz ZNYABGPGFYFAOH-UHFFFAOYSA-N 1 0 400.457 -0.674 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000518077636 1070178679 /nfs/dbraw/zinc/17/86/79/1070178679.db2.gz OVIXFBABIFBLHT-HNNXBMFYSA-N 1 0 410.496 -0.742 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000518077637 1070178616 /nfs/dbraw/zinc/17/86/16/1070178616.db2.gz OVIXFBABIFBLHT-OAHLLOKOSA-N 1 0 410.496 -0.742 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC000518078777 1070179245 /nfs/dbraw/zinc/17/92/45/1070179245.db2.gz PSUKPUNWUKUCEI-AWEZNQCLSA-N 1 0 412.512 -0.379 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC000518078778 1070179406 /nfs/dbraw/zinc/17/94/06/1070179406.db2.gz PSUKPUNWUKUCEI-CQSZACIVSA-N 1 0 412.512 -0.379 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000518082460 1070182540 /nfs/dbraw/zinc/18/25/40/1070182540.db2.gz ROIQJFVOJDYCFO-UHFFFAOYSA-N 1 0 420.514 -0.171 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000518085404 1070180858 /nfs/dbraw/zinc/18/08/58/1070180858.db2.gz QORFTRDUWQCDSB-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000518096720 1070182414 /nfs/dbraw/zinc/18/24/14/1070182414.db2.gz LZKPLOUIHPZAQK-UHFFFAOYSA-N 1 0 410.496 -0.006 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)cnc2n(C)c1=O ZINC000518142963 1070189781 /nfs/dbraw/zinc/18/97/81/1070189781.db2.gz WXNFLZMSISIQLW-UHFFFAOYSA-N 1 0 414.466 -0.439 20 0 HBADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000518148975 1070191596 /nfs/dbraw/zinc/19/15/96/1070191596.db2.gz YCEFFSIHNJXODT-UHFFFAOYSA-N 1 0 409.295 -0.099 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000518177937 1070198671 /nfs/dbraw/zinc/19/86/71/1070198671.db2.gz UPNZAWJDCXTCIH-UHFFFAOYSA-N 1 0 405.499 -0.273 20 0 HBADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000518205458 1070203436 /nfs/dbraw/zinc/20/34/36/1070203436.db2.gz VQZMCDFMDBGNAC-INIZCTEOSA-N 1 0 423.495 -0.180 20 0 HBADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000518205459 1070203706 /nfs/dbraw/zinc/20/37/06/1070203706.db2.gz VQZMCDFMDBGNAC-MRXNPFEDSA-N 1 0 423.495 -0.180 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)CC1 ZINC000518225369 1070207490 /nfs/dbraw/zinc/20/74/90/1070207490.db2.gz LGBWCNCUPIVFFL-UHFFFAOYSA-N 1 0 408.459 -0.842 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](CO)O1 ZINC000518234414 1070206550 /nfs/dbraw/zinc/20/65/50/1070206550.db2.gz WPFVSOFIVRDGOU-DLBZAZTESA-N 1 0 420.514 -0.897 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](CO)O1 ZINC000518234415 1070206646 /nfs/dbraw/zinc/20/66/46/1070206646.db2.gz WPFVSOFIVRDGOU-IAGOWNOFSA-N 1 0 420.514 -0.897 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H](CO)O1 ZINC000518234416 1070206750 /nfs/dbraw/zinc/20/67/50/1070206750.db2.gz WPFVSOFIVRDGOU-IRXDYDNUSA-N 1 0 420.514 -0.897 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H](CO)O1 ZINC000518234417 1070206604 /nfs/dbraw/zinc/20/66/04/1070206604.db2.gz WPFVSOFIVRDGOU-SJORKVTESA-N 1 0 420.514 -0.897 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000518236406 1069729801 /nfs/dbraw/zinc/72/98/01/1069729801.db2.gz TVPGDRIPRQBZSI-UHFFFAOYSA-N 1 0 419.526 -0.017 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518290033 1070215534 /nfs/dbraw/zinc/21/55/34/1070215534.db2.gz HAMJVIYWSGQGQO-UHFFFAOYSA-N 1 0 405.565 -0.100 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000518290220 1070214974 /nfs/dbraw/zinc/21/49/74/1070214974.db2.gz DBJLANIHQADXLH-UHFFFAOYSA-N 1 0 408.547 -0.465 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518290266 1070215060 /nfs/dbraw/zinc/21/50/60/1070215060.db2.gz FPWGTUBAQTUSOQ-KRWDZBQOSA-N 1 0 409.531 -0.038 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518290267 1070215719 /nfs/dbraw/zinc/21/57/19/1070215719.db2.gz FPWGTUBAQTUSOQ-QGZVFWFLSA-N 1 0 409.531 -0.038 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000518290760 1070216926 /nfs/dbraw/zinc/21/69/26/1070216926.db2.gz QDQYSKNTIVUGAM-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000518290761 1070217101 /nfs/dbraw/zinc/21/71/01/1070217101.db2.gz QDQYSKNTIVUGAM-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000518298638 1070215819 /nfs/dbraw/zinc/21/58/19/1070215819.db2.gz SZKFANWJDRQMOK-UHFFFAOYSA-N 1 0 411.528 -0.191 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000518298841 1070216315 /nfs/dbraw/zinc/21/63/15/1070216315.db2.gz YMZKVJMPKSQGOR-UHFFFAOYSA-N 1 0 402.455 -0.293 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000518307111 1070218240 /nfs/dbraw/zinc/21/82/40/1070218240.db2.gz MKNKMMLWEIOCSF-HNNXBMFYSA-N 1 0 403.549 -0.408 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000518307112 1070218387 /nfs/dbraw/zinc/21/83/87/1070218387.db2.gz MKNKMMLWEIOCSF-OAHLLOKOSA-N 1 0 403.549 -0.408 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000518334142 1070220354 /nfs/dbraw/zinc/22/03/54/1070220354.db2.gz GQYRWEQOAMFHIF-KRWDZBQOSA-N 1 0 410.563 -0.219 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000518334143 1070220215 /nfs/dbraw/zinc/22/02/15/1070220215.db2.gz GQYRWEQOAMFHIF-QGZVFWFLSA-N 1 0 410.563 -0.219 20 0 HBADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000518346842 1070221076 /nfs/dbraw/zinc/22/10/76/1070221076.db2.gz DAHBCSLLVQRLRR-INIZCTEOSA-N 1 0 400.483 -0.006 20 0 HBADRO O=C(CN1CC(=O)NC1=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000518346843 1070220893 /nfs/dbraw/zinc/22/08/93/1070220893.db2.gz DAHBCSLLVQRLRR-MRXNPFEDSA-N 1 0 400.483 -0.006 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518395250 1070231549 /nfs/dbraw/zinc/23/15/49/1070231549.db2.gz GGGQNCGRDVJEJQ-IBGZPJMESA-N 1 0 409.575 -0.157 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518395251 1070231370 /nfs/dbraw/zinc/23/13/70/1070231370.db2.gz GGGQNCGRDVJEJQ-LJQANCHMSA-N 1 0 409.575 -0.157 20 0 HBADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCC1 ZINC000518398497 1070229214 /nfs/dbraw/zinc/22/92/14/1070229214.db2.gz TZCVJKDHQOWIKF-CABCVRRESA-N 1 0 402.499 -0.150 20 0 HBADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCC1 ZINC000518398498 1070228956 /nfs/dbraw/zinc/22/89/56/1070228956.db2.gz TZCVJKDHQOWIKF-GJZGRUSLSA-N 1 0 402.499 -0.150 20 0 HBADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCC1 ZINC000518398499 1070229102 /nfs/dbraw/zinc/22/91/02/1070229102.db2.gz TZCVJKDHQOWIKF-HUUCEWRRSA-N 1 0 402.499 -0.150 20 0 HBADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCC1 ZINC000518398500 1070229143 /nfs/dbraw/zinc/22/91/43/1070229143.db2.gz TZCVJKDHQOWIKF-LSDHHAIUSA-N 1 0 402.499 -0.150 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](NC(=O)NC)C3)cn2)CC1 ZINC000518407441 1070232200 /nfs/dbraw/zinc/23/22/00/1070232200.db2.gz AOZDCOMUJTXJAF-INIZCTEOSA-N 1 0 417.514 -0.630 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](NC(=O)NC)C3)cn2)CC1 ZINC000518407442 1070232009 /nfs/dbraw/zinc/23/20/09/1070232009.db2.gz AOZDCOMUJTXJAF-MRXNPFEDSA-N 1 0 417.514 -0.630 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)C[NH+]1CCN(C)CC1 ZINC000518407699 1070232163 /nfs/dbraw/zinc/23/21/63/1070232163.db2.gz AQCQEDBEULECHO-INIZCTEOSA-N 1 0 417.558 -0.065 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)C[NH+]1CCN(C)CC1 ZINC000518407700 1070232087 /nfs/dbraw/zinc/23/20/87/1070232087.db2.gz AQCQEDBEULECHO-MRXNPFEDSA-N 1 0 417.558 -0.065 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000518412969 1070233484 /nfs/dbraw/zinc/23/34/84/1070233484.db2.gz RAKKYKXSAXAJQW-UHFFFAOYSA-N 1 0 400.483 -0.717 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000518423474 1070235107 /nfs/dbraw/zinc/23/51/07/1070235107.db2.gz QFUOOHIPKLZWNW-UYTSQGDYSA-N 1 0 415.560 -0.207 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000518423475 1070235306 /nfs/dbraw/zinc/23/53/06/1070235306.db2.gz QFUOOHIPKLZWNW-WTXIUTQJSA-N 1 0 415.560 -0.207 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000518433267 1070236796 /nfs/dbraw/zinc/23/67/96/1070236796.db2.gz NQKCZXHUYNHWMF-UHFFFAOYSA-N 1 0 414.510 -0.221 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000518436863 1070234605 /nfs/dbraw/zinc/23/46/05/1070234605.db2.gz PULZJGWRNKUOIN-AWEZNQCLSA-N 1 0 402.565 -0.297 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000518436864 1070234483 /nfs/dbraw/zinc/23/44/83/1070234483.db2.gz PULZJGWRNKUOIN-CQSZACIVSA-N 1 0 402.565 -0.297 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000518437497 1070234719 /nfs/dbraw/zinc/23/47/19/1070234719.db2.gz CDEJCGFUADEJJD-INIZCTEOSA-N 1 0 410.540 -0.008 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000518437501 1070234435 /nfs/dbraw/zinc/23/44/35/1070234435.db2.gz CDEJCGFUADEJJD-MRXNPFEDSA-N 1 0 410.540 -0.008 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000518448764 1070238137 /nfs/dbraw/zinc/23/81/37/1070238137.db2.gz TULJCMCEZSZPOY-CYBMUJFWSA-N 1 0 401.533 -0.040 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000518448765 1070237982 /nfs/dbraw/zinc/23/79/82/1070237982.db2.gz TULJCMCEZSZPOY-ZDUSSCGKSA-N 1 0 401.533 -0.040 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000518552007 1070254824 /nfs/dbraw/zinc/25/48/24/1070254824.db2.gz JEZBMUMVCLWEIJ-HNNXBMFYSA-N 1 0 423.539 -0.827 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000518552008 1070254892 /nfs/dbraw/zinc/25/48/92/1070254892.db2.gz JEZBMUMVCLWEIJ-OAHLLOKOSA-N 1 0 423.539 -0.827 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000518566552 1070255627 /nfs/dbraw/zinc/25/56/27/1070255627.db2.gz SOESPEPRXPUOSR-AWEZNQCLSA-N 1 0 402.499 -0.572 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000518566553 1070255381 /nfs/dbraw/zinc/25/53/81/1070255381.db2.gz SOESPEPRXPUOSR-CQSZACIVSA-N 1 0 402.499 -0.572 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCCN3CC[NH+](C)CC3)cnc21 ZINC000518576984 1070257556 /nfs/dbraw/zinc/25/75/56/1070257556.db2.gz JGCUIAIPZUXUAV-UHFFFAOYSA-N 1 0 410.500 -0.660 20 0 HBADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[N@H+](C)C1 ZINC000518583466 1070255414 /nfs/dbraw/zinc/25/54/14/1070255414.db2.gz TYQSTKKCRXBJBH-KBPBESRZSA-N 1 0 400.501 -0.173 20 0 HBADRO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000518587765 1070257933 /nfs/dbraw/zinc/25/79/33/1070257933.db2.gz BVWLOBAWDQHBMB-CYBMUJFWSA-N 1 0 403.439 -0.168 20 0 HBADRO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000518587766 1070257983 /nfs/dbraw/zinc/25/79/83/1070257983.db2.gz BVWLOBAWDQHBMB-ZDUSSCGKSA-N 1 0 403.439 -0.168 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000518593433 1070258060 /nfs/dbraw/zinc/25/80/60/1070258060.db2.gz OVAQQSUHXITRQY-HNNXBMFYSA-N 1 0 414.528 -0.118 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000518593434 1070258007 /nfs/dbraw/zinc/25/80/07/1070258007.db2.gz OVAQQSUHXITRQY-OAHLLOKOSA-N 1 0 414.528 -0.118 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000518595882 1070259318 /nfs/dbraw/zinc/25/93/18/1070259318.db2.gz BCRDFHVQBYOTEU-UHFFFAOYSA-N 1 0 423.539 -0.524 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000518604096 1070261817 /nfs/dbraw/zinc/26/18/17/1070261817.db2.gz YVXRXXXBRQZNEW-HNNXBMFYSA-N 1 0 400.476 -0.050 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000518604097 1070261658 /nfs/dbraw/zinc/26/16/58/1070261658.db2.gz YVXRXXXBRQZNEW-OAHLLOKOSA-N 1 0 400.476 -0.050 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000518605401 1070261623 /nfs/dbraw/zinc/26/16/23/1070261623.db2.gz CPRBTTWTHCOHKU-BBRMVZONSA-N 1 0 412.512 -0.182 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000518605402 1070261728 /nfs/dbraw/zinc/26/17/28/1070261728.db2.gz CPRBTTWTHCOHKU-XJKSGUPXSA-N 1 0 412.512 -0.182 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000518605789 1068570004 /nfs/dbraw/zinc/57/00/04/1068570004.db2.gz XTFUOHKJGVOFFF-AWEZNQCLSA-N 1 0 400.476 -0.050 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000518605790 1070262630 /nfs/dbraw/zinc/26/26/30/1070262630.db2.gz XTFUOHKJGVOFFF-CQSZACIVSA-N 1 0 400.476 -0.050 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000518609154 1070259942 /nfs/dbraw/zinc/25/99/42/1070259942.db2.gz KXRDHBVGPHDRFC-INIZCTEOSA-N 1 0 411.528 -0.088 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000518609155 1070260170 /nfs/dbraw/zinc/26/01/70/1070260170.db2.gz KXRDHBVGPHDRFC-MRXNPFEDSA-N 1 0 411.528 -0.088 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000518611797 1070260516 /nfs/dbraw/zinc/26/05/16/1070260516.db2.gz IKUMUMVBNJCJHN-HNNXBMFYSA-N 1 0 412.512 -0.496 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000518611798 1070260803 /nfs/dbraw/zinc/26/08/03/1070260803.db2.gz IKUMUMVBNJCJHN-OAHLLOKOSA-N 1 0 412.512 -0.496 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000518612982 1070260602 /nfs/dbraw/zinc/26/06/02/1070260602.db2.gz OPQLJULHHCADSW-KRWDZBQOSA-N 1 0 418.546 -0.372 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000518612983 1070261205 /nfs/dbraw/zinc/26/12/05/1070261205.db2.gz OPQLJULHHCADSW-QGZVFWFLSA-N 1 0 418.546 -0.372 20 0 HBADRO COC1CC[NH+](C2(CNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CCCC2)CC1 ZINC000518620207 1070264161 /nfs/dbraw/zinc/26/41/61/1070264161.db2.gz MXDZHFFSSSXDMQ-UHFFFAOYSA-N 1 0 414.528 -0.214 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000518637175 1070267250 /nfs/dbraw/zinc/26/72/50/1070267250.db2.gz BQKZKWADURSTMG-KRWDZBQOSA-N 1 0 424.546 -0.691 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000518637176 1070267164 /nfs/dbraw/zinc/26/71/64/1070267164.db2.gz BQKZKWADURSTMG-QGZVFWFLSA-N 1 0 424.546 -0.691 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000518650343 1070267281 /nfs/dbraw/zinc/26/72/81/1070267281.db2.gz OCHKYEKWPKGRON-HZSPNIEDSA-N 1 0 400.501 -0.654 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCN3C(=O)CNC3=O)cn2)CC1 ZINC000518656357 1070267689 /nfs/dbraw/zinc/26/76/89/1070267689.db2.gz QSNGUGPIXLZKDN-UHFFFAOYSA-N 1 0 403.487 -0.035 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000518662323 1070268988 /nfs/dbraw/zinc/26/89/88/1070268988.db2.gz CAXYTQJGZCOPMP-GFCCVEGCSA-N 1 0 412.468 -0.531 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000518662324 1070269100 /nfs/dbraw/zinc/26/91/00/1070269100.db2.gz CAXYTQJGZCOPMP-LBPRGKRZSA-N 1 0 412.468 -0.531 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)c2)CC1 ZINC000518671841 1070268400 /nfs/dbraw/zinc/26/84/00/1070268400.db2.gz HEFSMZVWWDWSBP-UHFFFAOYSA-N 1 0 416.482 -0.569 20 0 HBADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000518763656 1070280727 /nfs/dbraw/zinc/28/07/27/1070280727.db2.gz IFWGMRDTLKUGMM-UHFFFAOYSA-N 1 0 418.494 -0.230 20 0 HBADRO COc1cc(C(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc(OC)c1OC ZINC000518765965 1070281239 /nfs/dbraw/zinc/28/12/39/1070281239.db2.gz AKHYRKYOFPNTGZ-UHFFFAOYSA-N 1 0 422.482 -0.325 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000518765992 1070281265 /nfs/dbraw/zinc/28/12/65/1070281265.db2.gz FDSXIUSSTBDZID-UHFFFAOYSA-N 1 0 402.542 -0.314 20 0 HBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000518767051 1070281161 /nfs/dbraw/zinc/28/11/61/1070281161.db2.gz ALMNITVUBKTQKO-UHFFFAOYSA-N 1 0 415.498 -0.390 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000518767148 1070281181 /nfs/dbraw/zinc/28/11/81/1070281181.db2.gz NZDNGAWGKRMPNA-AWEZNQCLSA-N 1 0 412.512 -0.406 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c2)CC1 ZINC000518784121 1070287179 /nfs/dbraw/zinc/28/71/79/1070287179.db2.gz RAMOXTJVFNUXSW-UHFFFAOYSA-N 1 0 411.528 -0.225 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000518803187 1070290133 /nfs/dbraw/zinc/29/01/33/1070290133.db2.gz MGJRUKZTURNJEL-KRWDZBQOSA-N 1 0 403.531 -0.437 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000518803188 1070290299 /nfs/dbraw/zinc/29/02/99/1070290299.db2.gz MGJRUKZTURNJEL-QGZVFWFLSA-N 1 0 403.531 -0.437 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000518805278 1070287874 /nfs/dbraw/zinc/28/78/74/1070287874.db2.gz BHHGMMSPTITROZ-UHFFFAOYSA-N 1 0 424.546 -0.693 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000518808591 1070290327 /nfs/dbraw/zinc/29/03/27/1070290327.db2.gz IIKAAPHAGQBXER-INIZCTEOSA-N 1 0 418.498 -0.835 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000518808592 1070290626 /nfs/dbraw/zinc/29/06/26/1070290626.db2.gz IIKAAPHAGQBXER-MRXNPFEDSA-N 1 0 418.498 -0.835 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OCC(N)=O ZINC000518808789 1070290764 /nfs/dbraw/zinc/29/07/64/1070290764.db2.gz NWTTWBUCVIXAKB-HNNXBMFYSA-N 1 0 422.482 -0.293 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OCC(N)=O ZINC000518808790 1070290776 /nfs/dbraw/zinc/29/07/76/1070290776.db2.gz NWTTWBUCVIXAKB-OAHLLOKOSA-N 1 0 422.482 -0.293 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1C ZINC000518811360 1070290885 /nfs/dbraw/zinc/29/08/85/1070290885.db2.gz PLEMHNXAYDPJPW-UHFFFAOYSA-N 1 0 414.532 -0.934 20 0 HBADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000518819908 1070291233 /nfs/dbraw/zinc/29/12/33/1070291233.db2.gz YDJRLSDECRMFRC-ARFHVFGLSA-N 1 0 403.545 -0.210 20 0 HBADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000518819909 1070291447 /nfs/dbraw/zinc/29/14/47/1070291447.db2.gz YDJRLSDECRMFRC-BZUAXINKSA-N 1 0 403.545 -0.210 20 0 HBADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000518819910 1070291523 /nfs/dbraw/zinc/29/15/23/1070291523.db2.gz YDJRLSDECRMFRC-OAGGEKHMSA-N 1 0 403.545 -0.210 20 0 HBADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000518819911 1070291186 /nfs/dbraw/zinc/29/11/86/1070291186.db2.gz YDJRLSDECRMFRC-XHSDSOJGSA-N 1 0 403.545 -0.210 20 0 HBADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1CCS(=O)(=O)CC1 ZINC000518821536 1070650308 /nfs/dbraw/zinc/65/03/08/1070650308.db2.gz LACPBXNSWYTPFY-INIZCTEOSA-N 1 0 403.545 -0.017 20 0 HBADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CN1CCS(=O)(=O)CC1 ZINC000518821537 1070290258 /nfs/dbraw/zinc/29/02/58/1070290258.db2.gz LACPBXNSWYTPFY-MRXNPFEDSA-N 1 0 403.545 -0.017 20 0 HBADRO COC(=O)Cn1ncc2c1ncn(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c2=O ZINC000518823679 1070292908 /nfs/dbraw/zinc/29/29/08/1070292908.db2.gz GNNYIIRLTZYDHT-AWEZNQCLSA-N 1 0 420.470 -0.761 20 0 HBADRO COC(=O)Cn1ncc2c1ncn(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c2=O ZINC000518823680 1070654516 /nfs/dbraw/zinc/65/45/16/1070654516.db2.gz GNNYIIRLTZYDHT-CQSZACIVSA-N 1 0 420.470 -0.761 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000518839415 1070941043 /nfs/dbraw/zinc/94/10/43/1070941043.db2.gz BAFKYIKKERZJFN-INIZCTEOSA-N 1 0 400.545 -0.094 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000518839416 1070293652 /nfs/dbraw/zinc/29/36/52/1070293652.db2.gz BAFKYIKKERZJFN-MRXNPFEDSA-N 1 0 400.545 -0.094 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000518862094 1070294820 /nfs/dbraw/zinc/29/48/20/1070294820.db2.gz JHLPNQFQGAJYHZ-INIZCTEOSA-N 1 0 417.576 -0.052 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000518862095 1070294547 /nfs/dbraw/zinc/29/45/47/1070294547.db2.gz JHLPNQFQGAJYHZ-MRXNPFEDSA-N 1 0 417.576 -0.052 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000518862656 1070294604 /nfs/dbraw/zinc/29/46/04/1070294604.db2.gz YACPXJKUVFXXGA-UHFFFAOYSA-N 1 0 415.487 -0.210 20 0 HBADRO COCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000518877834 1070296655 /nfs/dbraw/zinc/29/66/55/1070296655.db2.gz CDQLZSDBABQWFC-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000518947411 1070304198 /nfs/dbraw/zinc/30/41/98/1070304198.db2.gz FMARLJJAYYVCNZ-UHFFFAOYSA-N 1 0 402.293 -0.193 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000518963200 1070305173 /nfs/dbraw/zinc/30/51/73/1070305173.db2.gz LAKBFEBEDTYTMV-IBGZPJMESA-N 1 0 423.583 -0.191 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000518963201 1070304892 /nfs/dbraw/zinc/30/48/92/1070304892.db2.gz LAKBFEBEDTYTMV-LJQANCHMSA-N 1 0 423.583 -0.191 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000518989896 1070308516 /nfs/dbraw/zinc/30/85/16/1070308516.db2.gz ALWBJLLPANSLMY-AWEZNQCLSA-N 1 0 412.512 -0.512 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000518989897 1070308315 /nfs/dbraw/zinc/30/83/15/1070308315.db2.gz ALWBJLLPANSLMY-CQSZACIVSA-N 1 0 412.512 -0.512 20 0 HBADRO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000519021428 1070311428 /nfs/dbraw/zinc/31/14/28/1070311428.db2.gz NPCGFASZIMGAHN-CYBMUJFWSA-N 1 0 400.501 -0.452 20 0 HBADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000519021429 1070311625 /nfs/dbraw/zinc/31/16/25/1070311625.db2.gz NPCGFASZIMGAHN-ZDUSSCGKSA-N 1 0 400.501 -0.452 20 0 HBADRO CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000519021985 1070311463 /nfs/dbraw/zinc/31/14/63/1070311463.db2.gz NRQOUGMHFUPWJE-UHFFFAOYSA-N 1 0 403.549 -0.346 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000519024980 1070311920 /nfs/dbraw/zinc/31/19/20/1070311920.db2.gz QORUDXHHBBUYEO-UHFFFAOYSA-N 1 0 423.539 -0.174 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000519109272 1070319518 /nfs/dbraw/zinc/31/95/18/1070319518.db2.gz GQFLWBAJCGQVFU-KRWDZBQOSA-N 1 0 416.526 -0.047 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000519109273 1070319328 /nfs/dbraw/zinc/31/93/28/1070319328.db2.gz GQFLWBAJCGQVFU-QGZVFWFLSA-N 1 0 416.526 -0.047 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519122651 1070323250 /nfs/dbraw/zinc/32/32/50/1070323250.db2.gz QQPQCPFKLIPNIB-UHFFFAOYSA-N 1 0 410.544 -0.775 20 0 HBADRO O=C(CCN1CCCS1(=O)=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519126663 1070322195 /nfs/dbraw/zinc/32/21/95/1070322195.db2.gz HUKIDYFNNXIZSP-UHFFFAOYSA-N 1 0 410.544 -0.079 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000519128152 1070324595 /nfs/dbraw/zinc/32/45/95/1070324595.db2.gz FICLZQHGMPCYJW-UHFFFAOYSA-N 1 0 423.539 -0.092 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000519136111 1070324382 /nfs/dbraw/zinc/32/43/82/1070324382.db2.gz PYRQGSVCOREWOJ-CYBMUJFWSA-N 1 0 402.542 -0.003 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000519136112 1070324533 /nfs/dbraw/zinc/32/45/33/1070324533.db2.gz PYRQGSVCOREWOJ-ZDUSSCGKSA-N 1 0 402.542 -0.003 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000519144910 1070324350 /nfs/dbraw/zinc/32/43/50/1070324350.db2.gz MYGCBPDLQIRTEQ-UHFFFAOYSA-N 1 0 407.500 -0.838 20 0 HBADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCC1 ZINC000519153852 1070325141 /nfs/dbraw/zinc/32/51/41/1070325141.db2.gz DFTGSZULTUGDFS-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO CN(C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1)S(C)(=O)=O ZINC000519153938 1070325031 /nfs/dbraw/zinc/32/50/31/1070325031.db2.gz IYUUZTJUUDNLJX-AWEZNQCLSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1)S(C)(=O)=O ZINC000519153939 1070324802 /nfs/dbraw/zinc/32/48/02/1070324802.db2.gz IYUUZTJUUDNLJX-CQSZACIVSA-N 1 0 403.549 -0.361 20 0 HBADRO CCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000519153985 1070324843 /nfs/dbraw/zinc/32/48/43/1070324843.db2.gz MKZUOHXSRBLAKO-AWEZNQCLSA-N 1 0 403.549 -0.313 20 0 HBADRO CCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000519153986 1070324714 /nfs/dbraw/zinc/32/47/14/1070324714.db2.gz MKZUOHXSRBLAKO-CQSZACIVSA-N 1 0 403.549 -0.313 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC[N@H+](C)CCOC)c1 ZINC000519155181 1070325473 /nfs/dbraw/zinc/32/54/73/1070325473.db2.gz RFIXBGSFMSRUMU-UHFFFAOYSA-N 1 0 401.489 -0.589 20 0 HBADRO CN(CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000519167598 1070328002 /nfs/dbraw/zinc/32/80/02/1070328002.db2.gz CYNFLKGPQPHQCH-KRWDZBQOSA-N 1 0 424.571 -0.386 20 0 HBADRO CN(CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000519167599 1070328148 /nfs/dbraw/zinc/32/81/48/1070328148.db2.gz CYNFLKGPQPHQCH-QGZVFWFLSA-N 1 0 424.571 -0.386 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cn1 ZINC000519192227 1070329593 /nfs/dbraw/zinc/32/95/93/1070329593.db2.gz FOPLIOMGQSPVPI-UHFFFAOYSA-N 1 0 413.438 -0.505 20 0 HBADRO CC(C)(C)Nc1nc(NCC2(O)CCOCC2)[nH+]c(NCC2(O)CCOCC2)n1 ZINC000519201399 1070333200 /nfs/dbraw/zinc/33/32/00/1070333200.db2.gz OFQKAUFAUQNBGC-UHFFFAOYSA-N 1 0 410.519 -0.167 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000519220601 1070334832 /nfs/dbraw/zinc/33/48/32/1070334832.db2.gz PCYOMKQAHGKKCX-ARFHVFGLSA-N 1 0 416.544 -0.979 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000519220602 1070334662 /nfs/dbraw/zinc/33/46/62/1070334662.db2.gz PCYOMKQAHGKKCX-HRCADAONSA-N 1 0 416.544 -0.979 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000519220603 1070334405 /nfs/dbraw/zinc/33/44/05/1070334405.db2.gz PCYOMKQAHGKKCX-JYJNAYRXSA-N 1 0 416.544 -0.979 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000519220604 1070334524 /nfs/dbraw/zinc/33/45/24/1070334524.db2.gz PCYOMKQAHGKKCX-XHSDSOJGSA-N 1 0 416.544 -0.979 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC(=O)N1C ZINC000519232115 1070336086 /nfs/dbraw/zinc/33/60/86/1070336086.db2.gz MUQJQUAVWBLYJZ-CDHAZOANSA-N 1 0 404.515 -0.022 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC(=O)N1C ZINC000519232117 1070336467 /nfs/dbraw/zinc/33/64/67/1070336467.db2.gz MUQJQUAVWBLYJZ-WBHUJUFNSA-N 1 0 404.515 -0.022 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000519269953 1070340440 /nfs/dbraw/zinc/34/04/40/1070340440.db2.gz SILFYTAOCOCCDO-UHFFFAOYSA-N 1 0 403.531 -0.203 20 0 HBADRO O=C1COc2ccc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cc2N1 ZINC000519295597 1070345498 /nfs/dbraw/zinc/34/54/98/1070345498.db2.gz GOFNASKAKWRRRD-UHFFFAOYSA-N 1 0 412.512 -0.314 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000519325148 1070348490 /nfs/dbraw/zinc/34/84/90/1070348490.db2.gz WNDAEUXAZBEILC-INIZCTEOSA-N 1 0 410.544 -0.267 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000519325151 1070348566 /nfs/dbraw/zinc/34/85/66/1070348566.db2.gz WNDAEUXAZBEILC-MRXNPFEDSA-N 1 0 410.544 -0.267 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000519327749 1070348533 /nfs/dbraw/zinc/34/85/33/1070348533.db2.gz MEPZDHFPKMGFBM-AWEZNQCLSA-N 1 0 400.483 -0.516 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000519327750 1070348607 /nfs/dbraw/zinc/34/86/07/1070348607.db2.gz MEPZDHFPKMGFBM-CQSZACIVSA-N 1 0 400.483 -0.516 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)C2)CC1 ZINC000519328192 1070348440 /nfs/dbraw/zinc/34/84/40/1070348440.db2.gz SVYONWCGKPWTOP-INIZCTEOSA-N 1 0 412.560 -0.365 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)C2)CC1 ZINC000519328193 1070348258 /nfs/dbraw/zinc/34/82/58/1070348258.db2.gz SVYONWCGKPWTOP-MRXNPFEDSA-N 1 0 412.560 -0.365 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000519328669 1070348636 /nfs/dbraw/zinc/34/86/36/1070348636.db2.gz AEMXYVNJFXGFQI-MOPGFXCFSA-N 1 0 407.559 -0.595 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000519328670 1070348670 /nfs/dbraw/zinc/34/86/70/1070348670.db2.gz AEMXYVNJFXGFQI-OALUTQOASA-N 1 0 407.559 -0.595 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000519328671 1070348232 /nfs/dbraw/zinc/34/82/32/1070348232.db2.gz AEMXYVNJFXGFQI-RBUKOAKNSA-N 1 0 407.559 -0.595 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000519328672 1070349098 /nfs/dbraw/zinc/34/90/98/1070349098.db2.gz AEMXYVNJFXGFQI-RTBURBONSA-N 1 0 407.559 -0.595 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000519335891 1070347943 /nfs/dbraw/zinc/34/79/43/1070347943.db2.gz MSOGPIFJINJNHZ-AWEZNQCLSA-N 1 0 402.542 -0.266 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000519335894 1070347847 /nfs/dbraw/zinc/34/78/47/1070347847.db2.gz MSOGPIFJINJNHZ-CQSZACIVSA-N 1 0 402.542 -0.266 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000519336847 1070349882 /nfs/dbraw/zinc/34/98/82/1070349882.db2.gz DZVGCKBIJPLKTC-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000519336848 1070349953 /nfs/dbraw/zinc/34/99/53/1070349953.db2.gz DZVGCKBIJPLKTC-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000519364955 1070354176 /nfs/dbraw/zinc/35/41/76/1070354176.db2.gz LDCMEINAJJDKQK-HNNXBMFYSA-N 1 0 414.528 -0.284 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000519364956 1070353922 /nfs/dbraw/zinc/35/39/22/1070353922.db2.gz LDCMEINAJJDKQK-OAHLLOKOSA-N 1 0 414.528 -0.284 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000519365364 1070353884 /nfs/dbraw/zinc/35/38/84/1070353884.db2.gz YRXFNBXTZLZFLX-INIZCTEOSA-N 1 0 424.523 -0.223 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000519365365 1070353796 /nfs/dbraw/zinc/35/37/96/1070353796.db2.gz YRXFNBXTZLZFLX-MRXNPFEDSA-N 1 0 424.523 -0.223 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000519366413 1070350928 /nfs/dbraw/zinc/35/09/28/1070350928.db2.gz XNXNNVXEPHUDNS-JTQLQIEISA-N 1 0 402.249 -0.833 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000519366415 1070350656 /nfs/dbraw/zinc/35/06/56/1070350656.db2.gz XNXNNVXEPHUDNS-SNVBAGLBSA-N 1 0 402.249 -0.833 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000519369632 1070351186 /nfs/dbraw/zinc/35/11/86/1070351186.db2.gz PDLHSKVOJPWFSC-AWEZNQCLSA-N 1 0 413.496 -0.037 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000519369633 1070351466 /nfs/dbraw/zinc/35/14/66/1070351466.db2.gz PDLHSKVOJPWFSC-CQSZACIVSA-N 1 0 413.496 -0.037 20 0 HBADRO CCCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000519373011 1070351836 /nfs/dbraw/zinc/35/18/36/1070351836.db2.gz OGKCTKBTXRCDCY-HNNXBMFYSA-N 1 0 403.549 -0.170 20 0 HBADRO CCCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000519373012 1070352210 /nfs/dbraw/zinc/35/22/10/1070352210.db2.gz OGKCTKBTXRCDCY-OAHLLOKOSA-N 1 0 403.549 -0.170 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cnc2n(C)c1=O ZINC000519379174 1070358543 /nfs/dbraw/zinc/35/85/43/1070358543.db2.gz OHNCOZUOQXSZFF-AWEZNQCLSA-N 1 0 414.466 -0.343 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cnc2n(C)c1=O ZINC000519379175 1070358305 /nfs/dbraw/zinc/35/83/05/1070358305.db2.gz OHNCOZUOQXSZFF-CQSZACIVSA-N 1 0 414.466 -0.343 20 0 HBADRO CN1CC(=O)N(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1=O ZINC000519434401 1070366719 /nfs/dbraw/zinc/36/67/19/1070366719.db2.gz ZFWFYVJYNDTLQV-INIZCTEOSA-N 1 0 401.467 -0.106 20 0 HBADRO CN1CC(=O)N(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O ZINC000519434402 1070366894 /nfs/dbraw/zinc/36/68/94/1070366894.db2.gz ZFWFYVJYNDTLQV-MRXNPFEDSA-N 1 0 401.467 -0.106 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000519450777 1070368529 /nfs/dbraw/zinc/36/85/29/1070368529.db2.gz MAIOIVAZWRJBBM-GFCCVEGCSA-N 1 0 401.489 -0.265 20 0 HBADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000519486889 1070373194 /nfs/dbraw/zinc/37/31/94/1070373194.db2.gz GOMNFRDBDDYUIK-GFCCVEGCSA-N 1 0 404.471 -0.193 20 0 HBADRO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519557431 1071142243 /nfs/dbraw/zinc/14/22/43/1071142243.db2.gz TXICQFMMPJOZMU-BXUZGUMPSA-N 1 0 404.448 -0.046 20 0 HBADRO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519557477 1070389926 /nfs/dbraw/zinc/38/99/26/1070389926.db2.gz TXICQFMMPJOZMU-FZMZJTMJSA-N 1 0 404.448 -0.046 20 0 HBADRO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519557479 1070389956 /nfs/dbraw/zinc/38/99/56/1070389956.db2.gz TXICQFMMPJOZMU-RISCZKNCSA-N 1 0 404.448 -0.046 20 0 HBADRO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519557481 1070390170 /nfs/dbraw/zinc/39/01/70/1070390170.db2.gz TXICQFMMPJOZMU-SMDDNHRTSA-N 1 0 404.448 -0.046 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cn2)CC1 ZINC000519573911 1070412543 /nfs/dbraw/zinc/41/25/43/1070412543.db2.gz UNLRHARADJQTNB-HNNXBMFYSA-N 1 0 401.471 -0.331 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cn2)CC1 ZINC000519573921 1070413243 /nfs/dbraw/zinc/41/32/43/1070413243.db2.gz UNLRHARADJQTNB-OAHLLOKOSA-N 1 0 401.471 -0.331 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000519603107 1070479146 /nfs/dbraw/zinc/47/91/46/1070479146.db2.gz CLEGIIIQOUUWKM-DOTOQJQBSA-N 1 0 421.523 -0.347 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000519603120 1070479352 /nfs/dbraw/zinc/47/93/52/1070479352.db2.gz CLEGIIIQOUUWKM-NVXWUHKLSA-N 1 0 421.523 -0.347 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000519603124 1070479432 /nfs/dbraw/zinc/47/94/32/1070479432.db2.gz CLEGIIIQOUUWKM-RDJZCZTQSA-N 1 0 421.523 -0.347 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000519603126 1070479170 /nfs/dbraw/zinc/47/91/70/1070479170.db2.gz CLEGIIIQOUUWKM-WBVHZDCISA-N 1 0 421.523 -0.347 20 0 HBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000519632947 1070531581 /nfs/dbraw/zinc/53/15/81/1070531581.db2.gz ODWHGKUBGXVIOQ-KRWDZBQOSA-N 1 0 405.499 -0.991 20 0 HBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000519632955 1070531465 /nfs/dbraw/zinc/53/14/65/1070531465.db2.gz ODWHGKUBGXVIOQ-QGZVFWFLSA-N 1 0 405.499 -0.991 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519644500 1070533161 /nfs/dbraw/zinc/53/31/61/1070533161.db2.gz IHJBAWOQNFLWNL-GDBMZVCRSA-N 1 0 408.480 -0.672 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000519644524 1070532848 /nfs/dbraw/zinc/53/28/48/1070532848.db2.gz IHJBAWOQNFLWNL-GOEBONIOSA-N 1 0 408.480 -0.672 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000519644534 1070533029 /nfs/dbraw/zinc/53/30/29/1070533029.db2.gz IHJBAWOQNFLWNL-HOCLYGCPSA-N 1 0 408.480 -0.672 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519644550 1070532977 /nfs/dbraw/zinc/53/29/77/1070532977.db2.gz IHJBAWOQNFLWNL-ZBFHGGJFSA-N 1 0 408.480 -0.672 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1 ZINC000519663547 1070534269 /nfs/dbraw/zinc/53/42/69/1070534269.db2.gz RFSQQEKZPOIOGK-FRRDWIJNSA-N 1 0 408.421 -0.119 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000519663615 1070534358 /nfs/dbraw/zinc/53/43/58/1070534358.db2.gz RFSQQEKZPOIOGK-JHJVBQTASA-N 1 0 408.421 -0.119 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000519663620 1070534153 /nfs/dbraw/zinc/53/41/53/1070534153.db2.gz RFSQQEKZPOIOGK-UPJWGTAASA-N 1 0 408.421 -0.119 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H](C)O1 ZINC000519663627 1070534311 /nfs/dbraw/zinc/53/43/11/1070534311.db2.gz RFSQQEKZPOIOGK-XQQFMLRXSA-N 1 0 408.421 -0.119 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000519664091 1070534009 /nfs/dbraw/zinc/53/40/09/1070534009.db2.gz IBNQGXAENBEXAF-UHFFFAOYSA-N 1 0 405.499 -0.035 20 0 HBADRO Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000519689746 1070536389 /nfs/dbraw/zinc/53/63/89/1070536389.db2.gz AACMIWAZOFRZRH-GDBMZVCRSA-N 1 0 422.555 -0.260 20 0 HBADRO Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000519689785 1070536185 /nfs/dbraw/zinc/53/61/85/1070536185.db2.gz AACMIWAZOFRZRH-GOEBONIOSA-N 1 0 422.555 -0.260 20 0 HBADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000519689786 1070536251 /nfs/dbraw/zinc/53/62/51/1070536251.db2.gz AACMIWAZOFRZRH-HOCLYGCPSA-N 1 0 422.555 -0.260 20 0 HBADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000519689787 1070536484 /nfs/dbraw/zinc/53/64/84/1070536484.db2.gz AACMIWAZOFRZRH-ZBFHGGJFSA-N 1 0 422.555 -0.260 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000519700864 1070535481 /nfs/dbraw/zinc/53/54/81/1070535481.db2.gz DFOAGAPJCVZACU-CVEARBPZSA-N 1 0 419.530 -0.791 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000519700878 1070535722 /nfs/dbraw/zinc/53/57/22/1070535722.db2.gz DFOAGAPJCVZACU-HOTGVXAUSA-N 1 0 419.530 -0.791 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000519700881 1070535696 /nfs/dbraw/zinc/53/56/96/1070535696.db2.gz DFOAGAPJCVZACU-HZPDHXFCSA-N 1 0 419.530 -0.791 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000519700888 1070535772 /nfs/dbraw/zinc/53/57/72/1070535772.db2.gz DFOAGAPJCVZACU-JKSUJKDBSA-N 1 0 419.530 -0.791 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000519728095 1070538012 /nfs/dbraw/zinc/53/80/12/1070538012.db2.gz PFBLTTIUKJYGCB-DLBZAZTESA-N 1 0 402.499 -0.381 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000519728101 1070537986 /nfs/dbraw/zinc/53/79/86/1070537986.db2.gz NWANUMBDEDJPBX-AWEZNQCLSA-N 1 0 406.574 -0.719 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000519728158 1070538148 /nfs/dbraw/zinc/53/81/48/1070538148.db2.gz PFBLTTIUKJYGCB-IAGOWNOFSA-N 1 0 402.499 -0.381 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000519728172 1070537973 /nfs/dbraw/zinc/53/79/73/1070537973.db2.gz PFBLTTIUKJYGCB-IRXDYDNUSA-N 1 0 402.499 -0.381 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000519728184 1070538162 /nfs/dbraw/zinc/53/81/62/1070538162.db2.gz PFBLTTIUKJYGCB-SJORKVTESA-N 1 0 402.499 -0.381 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000519728208 1070538037 /nfs/dbraw/zinc/53/80/37/1070538037.db2.gz NWANUMBDEDJPBX-CQSZACIVSA-N 1 0 406.574 -0.719 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519729437 1070538361 /nfs/dbraw/zinc/53/83/61/1070538361.db2.gz VABJGNLLTNBECO-IKGGRYGDSA-N 1 0 423.558 -0.587 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519729600 1070538082 /nfs/dbraw/zinc/53/80/82/1070538082.db2.gz VABJGNLLTNBECO-IXDOHACOSA-N 1 0 423.558 -0.587 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519729606 1070538325 /nfs/dbraw/zinc/53/83/25/1070538325.db2.gz VABJGNLLTNBECO-ULQDDVLXSA-N 1 0 423.558 -0.587 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519729630 1070538179 /nfs/dbraw/zinc/53/81/79/1070538179.db2.gz VABJGNLLTNBECO-YESZJQIVSA-N 1 0 423.558 -0.587 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000519781538 1070542070 /nfs/dbraw/zinc/54/20/70/1070542070.db2.gz HAIQXDVVCZDRNY-DLBZAZTESA-N 1 0 420.489 -0.242 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000519781592 1070541796 /nfs/dbraw/zinc/54/17/96/1070541796.db2.gz HAIQXDVVCZDRNY-IAGOWNOFSA-N 1 0 420.489 -0.242 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000519781613 1070541921 /nfs/dbraw/zinc/54/19/21/1070541921.db2.gz HAIQXDVVCZDRNY-IRXDYDNUSA-N 1 0 420.489 -0.242 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000519781628 1070542020 /nfs/dbraw/zinc/54/20/20/1070542020.db2.gz HAIQXDVVCZDRNY-SJORKVTESA-N 1 0 420.489 -0.242 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000519781830 1070541885 /nfs/dbraw/zinc/54/18/85/1070541885.db2.gz YHKCDDKGPWLURT-AEFFLSMTSA-N 1 0 423.558 -0.729 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000519781960 1070541736 /nfs/dbraw/zinc/54/17/36/1070541736.db2.gz YHKCDDKGPWLURT-FUHWJXTLSA-N 1 0 423.558 -0.729 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000519781970 1070541830 /nfs/dbraw/zinc/54/18/30/1070541830.db2.gz YHKCDDKGPWLURT-SJLPKXTDSA-N 1 0 423.558 -0.729 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000519781979 1070541774 /nfs/dbraw/zinc/54/17/74/1070541774.db2.gz YHKCDDKGPWLURT-WMZOPIPTSA-N 1 0 423.558 -0.729 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000519783124 1070541973 /nfs/dbraw/zinc/54/19/73/1070541973.db2.gz CUKRIXZTSSGINX-INIZCTEOSA-N 1 0 420.514 -0.007 20 0 HBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519783150 1070542638 /nfs/dbraw/zinc/54/26/38/1070542638.db2.gz WRORAQSMWYMAAJ-GDBMZVCRSA-N 1 0 402.451 -0.455 20 0 HBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000519783157 1070542508 /nfs/dbraw/zinc/54/25/08/1070542508.db2.gz WRORAQSMWYMAAJ-GOEBONIOSA-N 1 0 402.451 -0.455 20 0 HBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000519783172 1070542387 /nfs/dbraw/zinc/54/23/87/1070542387.db2.gz WRORAQSMWYMAAJ-HOCLYGCPSA-N 1 0 402.451 -0.455 20 0 HBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519783185 1070542436 /nfs/dbraw/zinc/54/24/36/1070542436.db2.gz WRORAQSMWYMAAJ-ZBFHGGJFSA-N 1 0 402.451 -0.455 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000519783231 1070542796 /nfs/dbraw/zinc/54/27/96/1070542796.db2.gz CUKRIXZTSSGINX-MRXNPFEDSA-N 1 0 420.514 -0.007 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000519783549 1070541819 /nfs/dbraw/zinc/54/18/19/1070541819.db2.gz SXSACVUWWVVJCK-UHFFFAOYSA-N 1 0 404.471 -0.916 20 0 HBADRO Cn1cc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(=O)n(C)c1=O ZINC000519784350 1070542580 /nfs/dbraw/zinc/54/25/80/1070542580.db2.gz ZLPQETPHJVPIOT-UHFFFAOYSA-N 1 0 412.434 -0.128 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000519788929 1070540390 /nfs/dbraw/zinc/54/03/90/1070540390.db2.gz JITXKBIBYVODEY-HKUYNNGSSA-N 1 0 401.511 -0.172 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000519788931 1070540743 /nfs/dbraw/zinc/54/07/43/1070540743.db2.gz JITXKBIBYVODEY-IEBWSBKVSA-N 1 0 401.511 -0.172 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000519788934 1070540593 /nfs/dbraw/zinc/54/05/93/1070540593.db2.gz JITXKBIBYVODEY-MJGOQNOKSA-N 1 0 401.511 -0.172 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000519788936 1070540633 /nfs/dbraw/zinc/54/06/33/1070540633.db2.gz JITXKBIBYVODEY-PKOBYXMFSA-N 1 0 401.511 -0.172 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000519789818 1070540553 /nfs/dbraw/zinc/54/05/53/1070540553.db2.gz IYGCAXJQEPISIM-CGTJXYLNSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000519789838 1070540850 /nfs/dbraw/zinc/54/08/50/1070540850.db2.gz IYGCAXJQEPISIM-JQHSSLGASA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000519789841 1070540691 /nfs/dbraw/zinc/54/06/91/1070540691.db2.gz IYGCAXJQEPISIM-RYQLBKOJSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000519789843 1070540470 /nfs/dbraw/zinc/54/04/70/1070540470.db2.gz IYGCAXJQEPISIM-SZMVWBNQSA-N 1 0 413.515 -0.365 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000519842106 1070547561 /nfs/dbraw/zinc/54/75/61/1070547561.db2.gz JZBMJCDJVXYMCE-HNNXBMFYSA-N 1 0 417.510 -0.279 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000519842117 1070547741 /nfs/dbraw/zinc/54/77/41/1070547741.db2.gz JZBMJCDJVXYMCE-OAHLLOKOSA-N 1 0 417.510 -0.279 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000519843760 1070547533 /nfs/dbraw/zinc/54/75/33/1070547533.db2.gz QHRAXTUVDYMAHI-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000519843809 1070547789 /nfs/dbraw/zinc/54/77/89/1070547789.db2.gz QHRAXTUVDYMAHI-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1OCC[NH+](C)C)c(=O)n2C ZINC000519914466 1070554368 /nfs/dbraw/zinc/55/43/68/1070554368.db2.gz KKTRRXZNZRCYDA-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000519974442 1070559828 /nfs/dbraw/zinc/55/98/28/1070559828.db2.gz ZQBVSFXSXIEAJD-INIZCTEOSA-N 1 0 404.581 -0.464 20 0 HBADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000519974443 1070559721 /nfs/dbraw/zinc/55/97/21/1070559721.db2.gz ZQBVSFXSXIEAJD-MRXNPFEDSA-N 1 0 404.581 -0.464 20 0 HBADRO COCCN(CCOC)S(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000520025480 1070562678 /nfs/dbraw/zinc/56/26/78/1070562678.db2.gz IGALPMYWYMBXQH-UHFFFAOYSA-N 1 0 401.533 -0.237 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000520058005 1070565182 /nfs/dbraw/zinc/56/51/82/1070565182.db2.gz KDSPKKCBQOHRFY-UHFFFAOYSA-N 1 0 403.531 -0.203 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000520083909 1070570783 /nfs/dbraw/zinc/57/07/83/1070570783.db2.gz CHXSGHXPEHAMNO-UHFFFAOYSA-N 1 0 423.539 -0.227 20 0 HBADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000520180634 1070583839 /nfs/dbraw/zinc/58/38/39/1070583839.db2.gz JUVFOMHSKAGLQS-CRAIPNDOSA-N 1 0 417.462 -0.008 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000520180635 1070584069 /nfs/dbraw/zinc/58/40/69/1070584069.db2.gz JUVFOMHSKAGLQS-MAUKXSAKSA-N 1 0 417.462 -0.008 20 0 HBADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000520180636 1070583905 /nfs/dbraw/zinc/58/39/05/1070583905.db2.gz JUVFOMHSKAGLQS-QAPCUYQASA-N 1 0 417.462 -0.008 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000520180637 1070583752 /nfs/dbraw/zinc/58/37/52/1070583752.db2.gz JUVFOMHSKAGLQS-YJBOKZPZSA-N 1 0 417.462 -0.008 20 0 HBADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000520205685 1070585175 /nfs/dbraw/zinc/58/51/75/1070585175.db2.gz ZLHWTMZEQRKPPK-UHFFFAOYSA-N 1 0 416.486 -0.333 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)C(=O)N1CCOCC1 ZINC000520210059 1070585918 /nfs/dbraw/zinc/58/59/18/1070585918.db2.gz IYKRMTCPDICRSM-DLBZAZTESA-N 1 0 412.531 -0.301 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)C(=O)N1CCOCC1 ZINC000520210060 1070585797 /nfs/dbraw/zinc/58/57/97/1070585797.db2.gz IYKRMTCPDICRSM-IAGOWNOFSA-N 1 0 412.531 -0.301 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)C(=O)N1CCOCC1 ZINC000520210061 1070585933 /nfs/dbraw/zinc/58/59/33/1070585933.db2.gz IYKRMTCPDICRSM-IRXDYDNUSA-N 1 0 412.531 -0.301 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)C(=O)N1CCOCC1 ZINC000520210062 1070586041 /nfs/dbraw/zinc/58/60/41/1070586041.db2.gz IYKRMTCPDICRSM-SJORKVTESA-N 1 0 412.531 -0.301 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000520227182 1070589253 /nfs/dbraw/zinc/58/92/53/1070589253.db2.gz JQMBWYXMINOTKA-UHFFFAOYSA-N 1 0 406.468 -0.060 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000520236968 1070587470 /nfs/dbraw/zinc/58/74/70/1070587470.db2.gz KRIRSLNEORKLRZ-HNNXBMFYSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000520236969 1070587675 /nfs/dbraw/zinc/58/76/75/1070587675.db2.gz KRIRSLNEORKLRZ-OAHLLOKOSA-N 1 0 417.576 -0.100 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000520239274 1070588094 /nfs/dbraw/zinc/58/80/94/1070588094.db2.gz XQXZKMOBMMHHOV-INIZCTEOSA-N 1 0 406.483 -0.041 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000520239275 1070587989 /nfs/dbraw/zinc/58/79/89/1070587989.db2.gz XQXZKMOBMMHHOV-MRXNPFEDSA-N 1 0 406.483 -0.041 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000520240901 1070588126 /nfs/dbraw/zinc/58/81/26/1070588126.db2.gz SZOBNKHSGJFPEG-UHFFFAOYSA-N 1 0 416.482 -0.695 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000520312136 1070595297 /nfs/dbraw/zinc/59/52/97/1070595297.db2.gz MBWKPFFARNOJGY-CYBMUJFWSA-N 1 0 401.558 -0.272 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000520312137 1070595504 /nfs/dbraw/zinc/59/55/04/1070595504.db2.gz MBWKPFFARNOJGY-ZDUSSCGKSA-N 1 0 401.558 -0.272 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341265 1070598544 /nfs/dbraw/zinc/59/85/44/1070598544.db2.gz ZMDNIZRSSWZSBO-MSOLQXFVSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341266 1070598653 /nfs/dbraw/zinc/59/86/53/1070598653.db2.gz ZMDNIZRSSWZSBO-QZTJIDSGSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341267 1070598847 /nfs/dbraw/zinc/59/88/47/1070598847.db2.gz ZMDNIZRSSWZSBO-ROUUACIJSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341268 1070598474 /nfs/dbraw/zinc/59/84/74/1070598474.db2.gz ZMDNIZRSSWZSBO-ZWKOTPCHSA-N 1 0 423.558 -0.597 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000520391318 1070609323 /nfs/dbraw/zinc/60/93/23/1070609323.db2.gz YAKWKEHVUJHOQZ-INIZCTEOSA-N 1 0 406.549 -0.114 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000520391319 1070610329 /nfs/dbraw/zinc/61/03/29/1070610329.db2.gz YAKWKEHVUJHOQZ-MRXNPFEDSA-N 1 0 406.549 -0.114 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000520391931 1070610363 /nfs/dbraw/zinc/61/03/63/1070610363.db2.gz YAXHATGMMLCCSF-INIZCTEOSA-N 1 0 413.544 -0.344 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000520391932 1070610275 /nfs/dbraw/zinc/61/02/75/1070610275.db2.gz YAXHATGMMLCCSF-MRXNPFEDSA-N 1 0 413.544 -0.344 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000520399000 1070610040 /nfs/dbraw/zinc/61/00/40/1070610040.db2.gz WNCGMEXIDISXOS-HNNXBMFYSA-N 1 0 411.528 -0.971 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000520399001 1070610300 /nfs/dbraw/zinc/61/03/00/1070610300.db2.gz WNCGMEXIDISXOS-OAHLLOKOSA-N 1 0 411.528 -0.971 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000520406125 1070611790 /nfs/dbraw/zinc/61/17/90/1070611790.db2.gz CKTRJYYBLMWCRO-UHFFFAOYSA-N 1 0 412.468 -0.577 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000520411381 1070612747 /nfs/dbraw/zinc/61/27/47/1070612747.db2.gz MMAZEDHLGREDBP-KRWDZBQOSA-N 1 0 411.547 -0.872 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000520411382 1070612644 /nfs/dbraw/zinc/61/26/44/1070612644.db2.gz MMAZEDHLGREDBP-QGZVFWFLSA-N 1 0 411.547 -0.872 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000520440975 1070639610 /nfs/dbraw/zinc/63/96/10/1070639610.db2.gz DBOIAKSRKRDUKZ-UHFFFAOYSA-N 1 0 402.503 -0.140 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000520449239 1070644165 /nfs/dbraw/zinc/64/41/65/1070644165.db2.gz ALXYPFRUWVDUIH-KRWDZBQOSA-N 1 0 412.531 -0.301 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000520449240 1070644027 /nfs/dbraw/zinc/64/40/27/1070644027.db2.gz ALXYPFRUWVDUIH-QGZVFWFLSA-N 1 0 412.531 -0.301 20 0 HBADRO CNc1nc(NC2CCC(NC(C)=O)CC2)nc(NC2CCC(NC(C)=O)CC2)[nH+]1 ZINC000520451129 1070644950 /nfs/dbraw/zinc/64/49/50/1070644950.db2.gz DZKMDBOVEWRFPH-UHFFFAOYSA-N 1 0 418.546 -0.103 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000520515283 1070669512 /nfs/dbraw/zinc/66/95/12/1070669512.db2.gz PZBLUFVNLJXPKW-KRWDZBQOSA-N 1 0 423.558 -0.726 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000520515284 1070669541 /nfs/dbraw/zinc/66/95/41/1070669541.db2.gz PZBLUFVNLJXPKW-QGZVFWFLSA-N 1 0 423.558 -0.726 20 0 HBADRO O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000520515750 1070669528 /nfs/dbraw/zinc/66/95/28/1070669528.db2.gz DCXDSYFIIGUFOV-AWEZNQCLSA-N 1 0 415.450 -0.138 20 0 HBADRO O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000520515751 1070669401 /nfs/dbraw/zinc/66/94/01/1070669401.db2.gz DCXDSYFIIGUFOV-CQSZACIVSA-N 1 0 415.450 -0.138 20 0 HBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000520516110 1070669492 /nfs/dbraw/zinc/66/94/92/1070669492.db2.gz WZNUTAFJFYDSPZ-HNNXBMFYSA-N 1 0 414.462 -0.421 20 0 HBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000520516111 1070669269 /nfs/dbraw/zinc/66/92/69/1070669269.db2.gz WZNUTAFJFYDSPZ-OAHLLOKOSA-N 1 0 414.462 -0.421 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000520525885 1070670126 /nfs/dbraw/zinc/67/01/26/1070670126.db2.gz AFRSWFOWALHJJV-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000520541776 1070673894 /nfs/dbraw/zinc/67/38/94/1070673894.db2.gz NAOBOXZJNMNFJP-CABCVRRESA-N 1 0 422.507 -0.226 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000520541778 1070673917 /nfs/dbraw/zinc/67/39/17/1070673917.db2.gz NAOBOXZJNMNFJP-GJZGRUSLSA-N 1 0 422.507 -0.226 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000520541779 1070673826 /nfs/dbraw/zinc/67/38/26/1070673826.db2.gz NAOBOXZJNMNFJP-HUUCEWRRSA-N 1 0 422.507 -0.226 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 ZINC000520541780 1070673805 /nfs/dbraw/zinc/67/38/05/1070673805.db2.gz NAOBOXZJNMNFJP-LSDHHAIUSA-N 1 0 422.507 -0.226 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cn1C ZINC000520554922 1070674554 /nfs/dbraw/zinc/67/45/54/1070674554.db2.gz UHYQAVZILJQVIZ-HNNXBMFYSA-N 1 0 401.533 -0.034 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cn1C ZINC000520554924 1070674695 /nfs/dbraw/zinc/67/46/95/1070674695.db2.gz UHYQAVZILJQVIZ-OAHLLOKOSA-N 1 0 401.533 -0.034 20 0 HBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000520570338 1070676858 /nfs/dbraw/zinc/67/68/58/1070676858.db2.gz DFSPXOAMUVBBPN-DOTOQJQBSA-N 1 0 414.514 -0.022 20 0 HBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000520570339 1070676987 /nfs/dbraw/zinc/67/69/87/1070676987.db2.gz DFSPXOAMUVBBPN-NVXWUHKLSA-N 1 0 414.514 -0.022 20 0 HBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000520570340 1070676944 /nfs/dbraw/zinc/67/69/44/1070676944.db2.gz DFSPXOAMUVBBPN-RDJZCZTQSA-N 1 0 414.514 -0.022 20 0 HBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000520570341 1070676823 /nfs/dbraw/zinc/67/68/23/1070676823.db2.gz DFSPXOAMUVBBPN-WBVHZDCISA-N 1 0 414.514 -0.022 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000520584096 1070680637 /nfs/dbraw/zinc/68/06/37/1070680637.db2.gz VWPAFUFYSNACKI-UHFFFAOYSA-N 1 0 405.499 -0.136 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000520616635 1070688025 /nfs/dbraw/zinc/68/80/25/1070688025.db2.gz MORACNBBCFXJAG-UHFFFAOYSA-N 1 0 423.558 -0.183 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000520620655 1070690342 /nfs/dbraw/zinc/69/03/42/1070690342.db2.gz JANPZSAYPREJJG-UHFFFAOYSA-N 1 0 422.530 -0.985 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000520620727 1070688963 /nfs/dbraw/zinc/68/89/63/1070688963.db2.gz LPOYUEZMINZEGN-UHFFFAOYSA-N 1 0 424.575 -0.697 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000520621570 1070690373 /nfs/dbraw/zinc/69/03/73/1070690373.db2.gz LMGZYLJOXMAREF-UHFFFAOYSA-N 1 0 423.514 -0.510 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)n1 ZINC000520653995 1070698569 /nfs/dbraw/zinc/69/85/69/1070698569.db2.gz CHQOYXQIZKFGJS-KBPBESRZSA-N 1 0 406.487 -0.398 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)n1 ZINC000520653999 1070698411 /nfs/dbraw/zinc/69/84/11/1070698411.db2.gz CHQOYXQIZKFGJS-KGLIPLIRSA-N 1 0 406.487 -0.398 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)n1 ZINC000520654001 1070698626 /nfs/dbraw/zinc/69/86/26/1070698626.db2.gz CHQOYXQIZKFGJS-UONOGXRCSA-N 1 0 406.487 -0.398 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)n1 ZINC000520654002 1070698697 /nfs/dbraw/zinc/69/86/97/1070698697.db2.gz CHQOYXQIZKFGJS-ZIAGYGMSSA-N 1 0 406.487 -0.398 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000520670800 1070701890 /nfs/dbraw/zinc/70/18/90/1070701890.db2.gz QQEPIACUSNVGHW-AWEZNQCLSA-N 1 0 415.512 -0.103 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000520670801 1070701732 /nfs/dbraw/zinc/70/17/32/1070701732.db2.gz QQEPIACUSNVGHW-CQSZACIVSA-N 1 0 415.512 -0.103 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000520683780 1070703077 /nfs/dbraw/zinc/70/30/77/1070703077.db2.gz NANRDGVLNQVEEN-UHFFFAOYSA-N 1 0 400.501 -0.088 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000520697961 1070704738 /nfs/dbraw/zinc/70/47/38/1070704738.db2.gz VPRPHXYSJNJPEF-CYBMUJFWSA-N 1 0 403.483 -0.099 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000520769907 1070716366 /nfs/dbraw/zinc/71/63/66/1070716366.db2.gz LYVWJYDIZQOZKX-UHFFFAOYSA-N 1 0 406.487 -0.561 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000520770244 1070716350 /nfs/dbraw/zinc/71/63/50/1070716350.db2.gz YVYZERRSLMMOGM-UHFFFAOYSA-N 1 0 406.487 -0.561 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000520785579 1070734255 /nfs/dbraw/zinc/73/42/55/1070734255.db2.gz AWOLPIXVUDFUMB-GOSISDBHSA-N 1 0 410.563 -0.362 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000520785580 1070734102 /nfs/dbraw/zinc/73/41/02/1070734102.db2.gz AWOLPIXVUDFUMB-SFHVURJKSA-N 1 0 410.563 -0.362 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000520862554 1070796001 /nfs/dbraw/zinc/79/60/01/1070796001.db2.gz GIKUMTWRRXZEHY-BMFZPTHFSA-N 1 0 411.528 -0.200 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000520862555 1068531726 /nfs/dbraw/zinc/53/17/26/1068531726.db2.gz GIKUMTWRRXZEHY-BPUTZDHNSA-N 1 0 411.528 -0.200 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000520862556 1070795818 /nfs/dbraw/zinc/79/58/18/1070795818.db2.gz GIKUMTWRRXZEHY-IMJJTQAJSA-N 1 0 411.528 -0.200 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000520862557 1068531627 /nfs/dbraw/zinc/53/16/27/1068531627.db2.gz GIKUMTWRRXZEHY-KBMXLJTQSA-N 1 0 411.528 -0.200 20 0 HBADRO CS(=O)(=O)NCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000520880494 1070796658 /nfs/dbraw/zinc/79/66/58/1070796658.db2.gz FUFUFPXMGMXYNL-INIZCTEOSA-N 1 0 411.528 -0.268 20 0 HBADRO CS(=O)(=O)NCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000520880497 1070796590 /nfs/dbraw/zinc/79/65/90/1070796590.db2.gz FUFUFPXMGMXYNL-MRXNPFEDSA-N 1 0 411.528 -0.268 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000520884191 1070797941 /nfs/dbraw/zinc/79/79/41/1070797941.db2.gz NXBQSEPOBOXAGV-UHFFFAOYSA-N 1 0 413.500 -0.703 20 0 HBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000520891940 1070798422 /nfs/dbraw/zinc/79/84/22/1070798422.db2.gz VRCCLUSDTWVQMN-OAHLLOKOSA-N 1 0 418.560 -0.514 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCC(C)CC1 ZINC000520904946 1070799010 /nfs/dbraw/zinc/79/90/10/1070799010.db2.gz BXLUDDJURRQKGO-CYBMUJFWSA-N 1 0 416.482 -0.193 20 0 HBADRO COc1cc(C[NH2+]CCCNS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000520951160 1070822799 /nfs/dbraw/zinc/82/27/99/1070822799.db2.gz SGVKSGNYJZJFII-UHFFFAOYSA-N 1 0 415.512 -0.038 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000520988878 1070842662 /nfs/dbraw/zinc/84/26/62/1070842662.db2.gz KJANJJDMWMVKLJ-UHFFFAOYSA-N 1 0 416.482 -0.695 20 0 HBADRO Cc1ccc(CN(CCO)C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC000521012978 1070854769 /nfs/dbraw/zinc/85/47/69/1070854769.db2.gz HCYXGRQIMYKVPB-KRWDZBQOSA-N 1 0 408.499 -0.032 20 0 HBADRO Cc1ccc(CN(CCO)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC000521012979 1070855071 /nfs/dbraw/zinc/85/50/71/1070855071.db2.gz HCYXGRQIMYKVPB-QGZVFWFLSA-N 1 0 408.499 -0.032 20 0 HBADRO COCc1cc(N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)n2ncnc2n1 ZINC000521013485 1070855259 /nfs/dbraw/zinc/85/52/59/1070855259.db2.gz JXQQCTFCWKBCLJ-UHFFFAOYSA-N 1 0 416.530 -0.055 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000521017427 1070856825 /nfs/dbraw/zinc/85/68/25/1070856825.db2.gz UMWDTOIXFWZZBB-HZMVEIRTSA-N 1 0 415.556 -0.067 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000521017428 1070857147 /nfs/dbraw/zinc/85/71/47/1070857147.db2.gz UMWDTOIXFWZZBB-MWDXBVQZSA-N 1 0 415.556 -0.067 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000521017429 1070856530 /nfs/dbraw/zinc/85/65/30/1070856530.db2.gz UMWDTOIXFWZZBB-NXOAAHMSSA-N 1 0 415.556 -0.067 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000521017430 1070856702 /nfs/dbraw/zinc/85/67/02/1070856702.db2.gz UMWDTOIXFWZZBB-YLFCFFPRSA-N 1 0 415.556 -0.067 20 0 HBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000521069643 1070862301 /nfs/dbraw/zinc/86/23/01/1070862301.db2.gz PXCUQVVOFGIKDZ-HKUYNNGSSA-N 1 0 413.522 -0.040 20 0 HBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000521069644 1070862442 /nfs/dbraw/zinc/86/24/42/1070862442.db2.gz PXCUQVVOFGIKDZ-IEBWSBKVSA-N 1 0 413.522 -0.040 20 0 HBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000521069645 1070862718 /nfs/dbraw/zinc/86/27/18/1070862718.db2.gz PXCUQVVOFGIKDZ-MJGOQNOKSA-N 1 0 413.522 -0.040 20 0 HBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000521069646 1070862552 /nfs/dbraw/zinc/86/25/52/1070862552.db2.gz PXCUQVVOFGIKDZ-PKOBYXMFSA-N 1 0 413.522 -0.040 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000521084865 1069591487 /nfs/dbraw/zinc/59/14/87/1069591487.db2.gz PGCWFDPLSIAZTG-UHFFFAOYSA-N 1 0 408.503 -0.086 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000521087782 1070864820 /nfs/dbraw/zinc/86/48/20/1070864820.db2.gz NZXBYWNZFLXPRR-KRWDZBQOSA-N 1 0 420.514 -0.631 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000521087783 1070864589 /nfs/dbraw/zinc/86/45/89/1070864589.db2.gz NZXBYWNZFLXPRR-QGZVFWFLSA-N 1 0 420.514 -0.631 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000521102680 1070866855 /nfs/dbraw/zinc/86/68/55/1070866855.db2.gz FJEOEKIKWZCRIY-INIZCTEOSA-N 1 0 418.608 -0.028 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000521102681 1070866568 /nfs/dbraw/zinc/86/65/68/1070866568.db2.gz FJEOEKIKWZCRIY-MRXNPFEDSA-N 1 0 418.608 -0.028 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000521108664 1070870092 /nfs/dbraw/zinc/87/00/92/1070870092.db2.gz PEVICBPCACIEKM-AWEZNQCLSA-N 1 0 415.516 -0.553 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000521108665 1070869818 /nfs/dbraw/zinc/86/98/18/1070869818.db2.gz PEVICBPCACIEKM-CQSZACIVSA-N 1 0 415.516 -0.553 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000521113442 1070870333 /nfs/dbraw/zinc/87/03/33/1070870333.db2.gz HEVABCRWGLMHJN-MRXNPFEDSA-N 1 0 417.576 -0.989 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000521126230 1070874740 /nfs/dbraw/zinc/87/47/40/1070874740.db2.gz WLMYJELPRFUOSR-UHFFFAOYSA-N 1 0 403.483 -0.619 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000521126657 1070869276 /nfs/dbraw/zinc/86/92/76/1070869276.db2.gz ICDJZQIVTOYCCV-INIZCTEOSA-N 1 0 412.512 -0.162 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000521126658 1070868833 /nfs/dbraw/zinc/86/88/33/1070868833.db2.gz ICDJZQIVTOYCCV-MRXNPFEDSA-N 1 0 412.512 -0.162 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000521141873 1070873079 /nfs/dbraw/zinc/87/30/79/1070873079.db2.gz JORDZTJDVDZGPP-FQEVSTJZSA-N 1 0 421.586 -0.347 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000521141874 1070872879 /nfs/dbraw/zinc/87/28/79/1070872879.db2.gz JORDZTJDVDZGPP-HXUWFJFHSA-N 1 0 421.586 -0.347 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000521142176 1070872548 /nfs/dbraw/zinc/87/25/48/1070872548.db2.gz RWIMMNOAPHAEHO-UHFFFAOYSA-N 1 0 414.510 -0.268 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000521164280 1070885697 /nfs/dbraw/zinc/88/56/97/1070885697.db2.gz QZZXIGHKCPVZSM-KRWDZBQOSA-N 1 0 416.592 -0.320 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000521164281 1070885397 /nfs/dbraw/zinc/88/53/97/1070885397.db2.gz QZZXIGHKCPVZSM-QGZVFWFLSA-N 1 0 416.592 -0.320 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000521168102 1070886261 /nfs/dbraw/zinc/88/62/61/1070886261.db2.gz IJONXWINKZAUHG-CABCVRRESA-N 1 0 419.548 -0.886 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000521168103 1070886127 /nfs/dbraw/zinc/88/61/27/1070886127.db2.gz IJONXWINKZAUHG-GJZGRUSLSA-N 1 0 419.548 -0.886 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000521168104 1070885979 /nfs/dbraw/zinc/88/59/79/1070885979.db2.gz IJONXWINKZAUHG-HUUCEWRRSA-N 1 0 419.548 -0.886 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000521168105 1070886448 /nfs/dbraw/zinc/88/64/48/1070886448.db2.gz IJONXWINKZAUHG-LSDHHAIUSA-N 1 0 419.548 -0.886 20 0 HBADRO CCOC(=O)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000521184513 1070894488 /nfs/dbraw/zinc/89/44/88/1070894488.db2.gz ZIRCNRHEGONGGG-UHFFFAOYSA-N 1 0 424.542 -0.345 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000521201825 1070895054 /nfs/dbraw/zinc/89/50/54/1070895054.db2.gz VYWPHWRWQITARB-UHFFFAOYSA-N 1 0 410.496 -0.600 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccccc3OCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000521211071 1070895678 /nfs/dbraw/zinc/89/56/78/1070895678.db2.gz HRQKSIHVHAFEJK-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO O=C(COCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCc1cccnc1 ZINC000521268807 1070904720 /nfs/dbraw/zinc/90/47/20/1070904720.db2.gz SDIFKFWYDQKHSD-UHFFFAOYSA-N 1 0 403.483 -0.519 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000521273160 1070904459 /nfs/dbraw/zinc/90/44/59/1070904459.db2.gz LJGJVIJUSGOQBY-GXTWGEPZSA-N 1 0 400.888 -0.269 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000521273163 1070904570 /nfs/dbraw/zinc/90/45/70/1070904570.db2.gz LJGJVIJUSGOQBY-JSGCOSHPSA-N 1 0 400.888 -0.269 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000521273164 1070904636 /nfs/dbraw/zinc/90/46/36/1070904636.db2.gz LJGJVIJUSGOQBY-OCCSQVGLSA-N 1 0 400.888 -0.269 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000521273165 1070904764 /nfs/dbraw/zinc/90/47/64/1070904764.db2.gz LJGJVIJUSGOQBY-TZMCWYRMSA-N 1 0 400.888 -0.269 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CCN2C1=O ZINC000521273501 1070904514 /nfs/dbraw/zinc/90/45/14/1070904514.db2.gz UIAICQDFEPJYNO-AEGPPILISA-N 1 0 400.435 -0.419 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CCN2C1=O ZINC000521273502 1070904613 /nfs/dbraw/zinc/90/46/13/1070904613.db2.gz UIAICQDFEPJYNO-BPLDGKMQSA-N 1 0 400.435 -0.419 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CCN2C1=O ZINC000521273503 1070904857 /nfs/dbraw/zinc/90/48/57/1070904857.db2.gz UIAICQDFEPJYNO-NWANDNLSSA-N 1 0 400.435 -0.419 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CCN2C1=O ZINC000521273504 1070905533 /nfs/dbraw/zinc/90/55/33/1070905533.db2.gz UIAICQDFEPJYNO-VHDGCEQUSA-N 1 0 400.435 -0.419 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000521284923 1070905515 /nfs/dbraw/zinc/90/55/15/1070905515.db2.gz FCYFNXSLYRJCHZ-UHFFFAOYSA-N 1 0 404.471 -0.281 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000521288950 1070906153 /nfs/dbraw/zinc/90/61/53/1070906153.db2.gz YZKLMWXCOBBJRL-INIZCTEOSA-N 1 0 417.514 -0.816 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000521288951 1070906304 /nfs/dbraw/zinc/90/63/04/1070906304.db2.gz YZKLMWXCOBBJRL-MRXNPFEDSA-N 1 0 417.514 -0.816 20 0 HBADRO [NH3+]CCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000521292869 1070907055 /nfs/dbraw/zinc/90/70/55/1070907055.db2.gz YSLXYIFXCIAWAD-UHFFFAOYSA-N 1 0 402.860 -0.147 20 0 HBADRO CCN(CCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)S(C)(=O)=O ZINC000521339337 1068270017 /nfs/dbraw/zinc/27/00/17/1068270017.db2.gz ZDGWTIPNEAGOBY-UHFFFAOYSA-N 1 0 405.565 -0.100 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000521347593 1070918203 /nfs/dbraw/zinc/91/82/03/1070918203.db2.gz KTHYCOUVRLXBFG-UHFFFAOYSA-N 1 0 415.560 -0.345 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1OC ZINC000521375567 1070921341 /nfs/dbraw/zinc/92/13/41/1070921341.db2.gz VSBHMLWFURVYGZ-UHFFFAOYSA-N 1 0 415.512 -0.103 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000521416415 1070925834 /nfs/dbraw/zinc/92/58/34/1070925834.db2.gz SIVVPPLIZDTDMA-DLBZAZTESA-N 1 0 403.483 -0.474 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000521416416 1070925942 /nfs/dbraw/zinc/92/59/42/1070925942.db2.gz SIVVPPLIZDTDMA-IAGOWNOFSA-N 1 0 403.483 -0.474 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000521416417 1070926023 /nfs/dbraw/zinc/92/60/23/1070926023.db2.gz SIVVPPLIZDTDMA-IRXDYDNUSA-N 1 0 403.483 -0.474 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000521416418 1070925687 /nfs/dbraw/zinc/92/56/87/1070925687.db2.gz SIVVPPLIZDTDMA-SJORKVTESA-N 1 0 403.483 -0.474 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000521452358 1070928199 /nfs/dbraw/zinc/92/81/99/1070928199.db2.gz DHUIGMAOINHKQZ-DLBZAZTESA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000521452359 1070928422 /nfs/dbraw/zinc/92/84/22/1070928422.db2.gz DHUIGMAOINHKQZ-IAGOWNOFSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000521452360 1070928142 /nfs/dbraw/zinc/92/81/42/1070928142.db2.gz DHUIGMAOINHKQZ-IRXDYDNUSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000521452361 1070928350 /nfs/dbraw/zinc/92/83/50/1070928350.db2.gz DHUIGMAOINHKQZ-SJORKVTESA-N 1 0 414.510 -0.281 20 0 HBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452451 1070928250 /nfs/dbraw/zinc/92/82/50/1070928250.db2.gz KBUIIPLCWBJFKY-FXAWDEMLSA-N 1 0 417.554 -0.115 20 0 HBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452452 1070928365 /nfs/dbraw/zinc/92/83/65/1070928365.db2.gz KBUIIPLCWBJFKY-PXNSSMCTSA-N 1 0 417.554 -0.115 20 0 HBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452453 1070928997 /nfs/dbraw/zinc/92/89/97/1070928997.db2.gz KBUIIPLCWBJFKY-XLIONFOSSA-N 1 0 417.554 -0.115 20 0 HBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452454 1070928925 /nfs/dbraw/zinc/92/89/25/1070928925.db2.gz KBUIIPLCWBJFKY-YLJYHZDGSA-N 1 0 417.554 -0.115 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000521478112 1070929172 /nfs/dbraw/zinc/92/91/72/1070929172.db2.gz XPZBWOSMKGELFC-UHFFFAOYSA-N 1 0 417.557 -0.712 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC000521479625 1070929249 /nfs/dbraw/zinc/92/92/49/1070929249.db2.gz BGBAVQNHYMPUIW-UHFFFAOYSA-N 1 0 417.514 -0.768 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000521479839 1070929285 /nfs/dbraw/zinc/92/92/85/1070929285.db2.gz IOFGDFFTNRYUCA-UHFFFAOYSA-N 1 0 405.499 -0.536 20 0 HBADRO CCN1CCN(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C(=O)C1=O ZINC000521492038 1070930511 /nfs/dbraw/zinc/93/05/11/1070930511.db2.gz CBEXCMPNGVTOKJ-UHFFFAOYSA-N 1 0 417.514 -0.814 20 0 HBADRO O=C(CCCN1C(=O)CNC1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000521496249 1070931322 /nfs/dbraw/zinc/93/13/22/1070931322.db2.gz HCSALCZVJVJOOM-UHFFFAOYSA-N 1 0 403.487 -0.173 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000521497137 1070931260 /nfs/dbraw/zinc/93/12/60/1070931260.db2.gz AKALDMSMTMLJIQ-UHFFFAOYSA-N 1 0 415.502 -0.512 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000521505044 1070932081 /nfs/dbraw/zinc/93/20/81/1070932081.db2.gz YXJYNFABQSGQKT-UHFFFAOYSA-N 1 0 421.542 -0.438 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 ZINC000521508551 1070932682 /nfs/dbraw/zinc/93/26/82/1070932682.db2.gz VFKAAFPBQQZWMK-KRWDZBQOSA-N 1 0 417.510 -0.081 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 ZINC000521508557 1070932547 /nfs/dbraw/zinc/93/25/47/1070932547.db2.gz VFKAAFPBQQZWMK-QGZVFWFLSA-N 1 0 417.510 -0.081 20 0 HBADRO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000521509701 1070932623 /nfs/dbraw/zinc/93/26/23/1070932623.db2.gz VCOODPUREKCRLL-QGZVFWFLSA-N 1 0 409.531 -0.181 20 0 HBADRO CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000521551757 1070934068 /nfs/dbraw/zinc/93/40/68/1070934068.db2.gz KMYKLSBUDDIIHR-UHFFFAOYSA-N 1 0 423.539 -0.178 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)CC1 ZINC000521552652 1070934677 /nfs/dbraw/zinc/93/46/77/1070934677.db2.gz QIFCXTFRGSDLAM-AWEZNQCLSA-N 1 0 401.467 -0.263 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)CC1 ZINC000521552654 1070934430 /nfs/dbraw/zinc/93/44/30/1070934430.db2.gz QIFCXTFRGSDLAM-CQSZACIVSA-N 1 0 401.467 -0.263 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000521585833 1070936496 /nfs/dbraw/zinc/93/64/96/1070936496.db2.gz AOHSBYZXJYWRST-UHFFFAOYSA-N 1 0 400.479 -0.027 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000521586537 1070936791 /nfs/dbraw/zinc/93/67/91/1070936791.db2.gz RYBQSPSYZUDQTP-UHFFFAOYSA-N 1 0 412.468 -0.843 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)no1 ZINC000521623239 1069596865 /nfs/dbraw/zinc/59/68/65/1069596865.db2.gz FBDZFDMHVHISAO-HNNXBMFYSA-N 1 0 407.519 -0.115 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)no1 ZINC000521623241 1069597034 /nfs/dbraw/zinc/59/70/34/1069597034.db2.gz FBDZFDMHVHISAO-OAHLLOKOSA-N 1 0 407.519 -0.115 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC000521630885 1070940368 /nfs/dbraw/zinc/94/03/68/1070940368.db2.gz HFQDXABQQLOXRU-INIZCTEOSA-N 1 0 421.517 -0.400 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC000521630886 1070940482 /nfs/dbraw/zinc/94/04/82/1070940482.db2.gz HFQDXABQQLOXRU-MRXNPFEDSA-N 1 0 421.517 -0.400 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521645941 1070941132 /nfs/dbraw/zinc/94/11/32/1070941132.db2.gz NOKUOTGMVKXAHE-CABCVRRESA-N 1 0 403.483 -0.626 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521645943 1070941186 /nfs/dbraw/zinc/94/11/86/1070941186.db2.gz NOKUOTGMVKXAHE-GJZGRUSLSA-N 1 0 403.483 -0.626 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521645944 1070941206 /nfs/dbraw/zinc/94/12/06/1070941206.db2.gz NOKUOTGMVKXAHE-HUUCEWRRSA-N 1 0 403.483 -0.626 20 0 HBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521645945 1070941013 /nfs/dbraw/zinc/94/10/13/1070941013.db2.gz NOKUOTGMVKXAHE-LSDHHAIUSA-N 1 0 403.483 -0.626 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000521650461 1070942125 /nfs/dbraw/zinc/94/21/25/1070942125.db2.gz GOPTZBZSQIEGJO-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000521650462 1070942298 /nfs/dbraw/zinc/94/22/98/1070942298.db2.gz GOPTZBZSQIEGJO-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651053 1070941828 /nfs/dbraw/zinc/94/18/28/1070941828.db2.gz PEYAGZFMBBMNRX-MSOLQXFVSA-N 1 0 411.591 -0.320 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651054 1070941950 /nfs/dbraw/zinc/94/19/50/1070941950.db2.gz PEYAGZFMBBMNRX-QZTJIDSGSA-N 1 0 411.591 -0.320 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651055 1070942177 /nfs/dbraw/zinc/94/21/77/1070942177.db2.gz PEYAGZFMBBMNRX-ROUUACIJSA-N 1 0 411.591 -0.320 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651056 1070942032 /nfs/dbraw/zinc/94/20/32/1070942032.db2.gz PEYAGZFMBBMNRX-ZWKOTPCHSA-N 1 0 411.591 -0.320 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000521657124 1070942883 /nfs/dbraw/zinc/94/28/83/1070942883.db2.gz QNESEKOWHZNMBU-HNNXBMFYSA-N 1 0 415.498 -0.124 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000521657125 1070942705 /nfs/dbraw/zinc/94/27/05/1070942705.db2.gz QNESEKOWHZNMBU-OAHLLOKOSA-N 1 0 415.498 -0.124 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000521657558 1070943045 /nfs/dbraw/zinc/94/30/45/1070943045.db2.gz YAARXDJGCYKCDR-CYBMUJFWSA-N 1 0 418.560 -0.721 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000521657559 1070942812 /nfs/dbraw/zinc/94/28/12/1070942812.db2.gz YAARXDJGCYKCDR-ZDUSSCGKSA-N 1 0 418.560 -0.721 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000521671557 1070947046 /nfs/dbraw/zinc/94/70/46/1070947046.db2.gz HBRUEHBFPBWPCY-AWEZNQCLSA-N 1 0 400.439 -0.098 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000521671558 1070946929 /nfs/dbraw/zinc/94/69/29/1070946929.db2.gz HBRUEHBFPBWPCY-CQSZACIVSA-N 1 0 400.439 -0.098 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000521674124 1070947721 /nfs/dbraw/zinc/94/77/21/1070947721.db2.gz CKHAGMTVRNUTCO-QRQLOZEOSA-N 1 0 408.543 -0.339 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000521674125 1070947613 /nfs/dbraw/zinc/94/76/13/1070947613.db2.gz CKHAGMTVRNUTCO-QXAKKESOSA-N 1 0 408.543 -0.339 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000521674126 1070948350 /nfs/dbraw/zinc/94/83/50/1070948350.db2.gz CKHAGMTVRNUTCO-UHOSZYNNSA-N 1 0 408.543 -0.339 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000521676547 1070943730 /nfs/dbraw/zinc/94/37/30/1070943730.db2.gz BPMJIVHEDJGPLG-INIZCTEOSA-N 1 0 413.544 -0.034 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000521676551 1070943845 /nfs/dbraw/zinc/94/38/45/1070943845.db2.gz BPMJIVHEDJGPLG-MRXNPFEDSA-N 1 0 413.544 -0.034 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000521676650 1070943767 /nfs/dbraw/zinc/94/37/67/1070943767.db2.gz DKZVNBCDDIFTIA-KRWDZBQOSA-N 1 0 413.478 -0.486 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000521676652 1070943869 /nfs/dbraw/zinc/94/38/69/1070943869.db2.gz DKZVNBCDDIFTIA-QGZVFWFLSA-N 1 0 413.478 -0.486 20 0 HBADRO CS(=O)(=O)NCCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000521677144 1070944408 /nfs/dbraw/zinc/94/44/08/1070944408.db2.gz HFSKMECZTDVYMF-CYBMUJFWSA-N 1 0 402.542 -0.091 20 0 HBADRO CS(=O)(=O)NCCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000521677146 1070944747 /nfs/dbraw/zinc/94/47/47/1070944747.db2.gz HFSKMECZTDVYMF-ZDUSSCGKSA-N 1 0 402.542 -0.091 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000521677431 1070943933 /nfs/dbraw/zinc/94/39/33/1070943933.db2.gz JGAIWDCKMYUKKW-KRWDZBQOSA-N 1 0 424.523 -0.223 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000521677433 1070943602 /nfs/dbraw/zinc/94/36/02/1070943602.db2.gz JGAIWDCKMYUKKW-QGZVFWFLSA-N 1 0 424.523 -0.223 20 0 HBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000521684302 1070946102 /nfs/dbraw/zinc/94/61/02/1070946102.db2.gz VVZZKSLQUUTGSJ-INIZCTEOSA-N 1 0 415.498 -0.166 20 0 HBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000521684307 1070946240 /nfs/dbraw/zinc/94/62/40/1070946240.db2.gz VVZZKSLQUUTGSJ-MRXNPFEDSA-N 1 0 415.498 -0.166 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000521705985 1070951474 /nfs/dbraw/zinc/95/14/74/1070951474.db2.gz PNUNAOZZRJNPQG-UHFFFAOYSA-N 1 0 417.510 -0.074 20 0 HBADRO Cn1c(=O)ccn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1=O ZINC000521709377 1070952105 /nfs/dbraw/zinc/95/21/05/1070952105.db2.gz SBEHJYICMCMMAH-KRWDZBQOSA-N 1 0 413.478 -0.439 20 0 HBADRO Cn1c(=O)ccn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1=O ZINC000521709379 1070952140 /nfs/dbraw/zinc/95/21/40/1070952140.db2.gz SBEHJYICMCMMAH-QGZVFWFLSA-N 1 0 413.478 -0.439 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000521731002 1070955166 /nfs/dbraw/zinc/95/51/66/1070955166.db2.gz UMHNOYXLAYJYDP-KRWDZBQOSA-N 1 0 403.483 -0.748 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000521731009 1070955020 /nfs/dbraw/zinc/95/50/20/1070955020.db2.gz UMHNOYXLAYJYDP-QGZVFWFLSA-N 1 0 403.483 -0.748 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCS(=O)(=O)CC3)c2)C1 ZINC000521733329 1070951998 /nfs/dbraw/zinc/95/19/98/1070951998.db2.gz FEURFTZLUNUTID-GOSISDBHSA-N 1 0 422.551 -0.270 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCS(=O)(=O)CC3)c2)C1 ZINC000521733331 1070952191 /nfs/dbraw/zinc/95/21/91/1070952191.db2.gz FEURFTZLUNUTID-SFHVURJKSA-N 1 0 422.551 -0.270 20 0 HBADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000521764329 1070959080 /nfs/dbraw/zinc/95/90/80/1070959080.db2.gz FQZGILRFGYVJLI-UHFFFAOYSA-N 1 0 422.530 -0.048 20 0 HBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000521769490 1070959831 /nfs/dbraw/zinc/95/98/31/1070959831.db2.gz XFLCJPCCFCKQSE-UHFFFAOYSA-N 1 0 422.511 -0.002 20 0 HBADRO CCS(=O)(=O)N(C)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000521796111 1070963850 /nfs/dbraw/zinc/96/38/50/1070963850.db2.gz LEQDPEWKNGZAIL-HNNXBMFYSA-N 1 0 403.549 -0.218 20 0 HBADRO CCS(=O)(=O)N(C)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000521796512 1070961296 /nfs/dbraw/zinc/96/12/96/1070961296.db2.gz LEQDPEWKNGZAIL-OAHLLOKOSA-N 1 0 403.549 -0.218 20 0 HBADRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000521804684 1070964525 /nfs/dbraw/zinc/96/45/25/1070964525.db2.gz ZYUJQLCLKOERPW-IBGZPJMESA-N 1 0 407.559 -0.450 20 0 HBADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000521804685 1070964641 /nfs/dbraw/zinc/96/46/41/1070964641.db2.gz ZYUJQLCLKOERPW-LJQANCHMSA-N 1 0 407.559 -0.450 20 0 HBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000521845562 1070968886 /nfs/dbraw/zinc/96/88/86/1070968886.db2.gz ZHJUVNYTLHXHTM-INIZCTEOSA-N 1 0 400.487 -0.493 20 0 HBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000521845563 1070969608 /nfs/dbraw/zinc/96/96/08/1070969608.db2.gz ZHJUVNYTLHXHTM-MRXNPFEDSA-N 1 0 400.487 -0.493 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000521852591 1070971038 /nfs/dbraw/zinc/97/10/38/1070971038.db2.gz QZRHLCQFJNWSCP-HNNXBMFYSA-N 1 0 412.512 -0.258 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000521852592 1070971008 /nfs/dbraw/zinc/97/10/08/1070971008.db2.gz QZRHLCQFJNWSCP-OAHLLOKOSA-N 1 0 412.512 -0.258 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000521868426 1070973385 /nfs/dbraw/zinc/97/33/85/1070973385.db2.gz SORAENMSFQKATD-UHFFFAOYSA-N 1 0 417.576 -0.052 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000521902283 1070975003 /nfs/dbraw/zinc/97/50/03/1070975003.db2.gz SQBVTKRURCENDJ-UHFFFAOYSA-N 1 0 417.576 -0.099 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000521922007 1070979384 /nfs/dbraw/zinc/97/93/84/1070979384.db2.gz RVUZQOYSSNNFIY-AWEZNQCLSA-N 1 0 414.528 -0.266 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000521922012 1070979175 /nfs/dbraw/zinc/97/91/75/1070979175.db2.gz RVUZQOYSSNNFIY-CQSZACIVSA-N 1 0 414.528 -0.266 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000521924952 1070979257 /nfs/dbraw/zinc/97/92/57/1070979257.db2.gz SXEMJXXJBFMBGU-INIZCTEOSA-N 1 0 411.528 -0.373 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000521924953 1070979107 /nfs/dbraw/zinc/97/91/07/1070979107.db2.gz SXEMJXXJBFMBGU-MRXNPFEDSA-N 1 0 411.528 -0.373 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCC(=O)NC3=O)c2)C1 ZINC000521929848 1070980064 /nfs/dbraw/zinc/98/00/64/1070980064.db2.gz USTPSCSFRBWSLN-INIZCTEOSA-N 1 0 401.467 -0.058 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCC(=O)NC3=O)c2)C1 ZINC000521929849 1070980821 /nfs/dbraw/zinc/98/08/21/1070980821.db2.gz USTPSCSFRBWSLN-MRXNPFEDSA-N 1 0 401.467 -0.058 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)N1CCOCC1 ZINC000521934735 1070980535 /nfs/dbraw/zinc/98/05/35/1070980535.db2.gz AYDHSYHRZSBQBT-KRWDZBQOSA-N 1 0 410.515 -0.689 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)N1CCOCC1 ZINC000521934736 1070980563 /nfs/dbraw/zinc/98/05/63/1070980563.db2.gz AYDHSYHRZSBQBT-QGZVFWFLSA-N 1 0 410.515 -0.689 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000521987775 1070997271 /nfs/dbraw/zinc/99/72/71/1070997271.db2.gz OPPXZCPUFQMJSH-UHFFFAOYSA-N 1 0 418.560 -0.465 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000521988721 1070993834 /nfs/dbraw/zinc/99/38/34/1070993834.db2.gz OLBDLKNTGGXINC-MOPGFXCFSA-N 1 0 415.538 -0.302 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000521988722 1070993918 /nfs/dbraw/zinc/99/39/18/1070993918.db2.gz OLBDLKNTGGXINC-OALUTQOASA-N 1 0 415.538 -0.302 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000521988725 1070993979 /nfs/dbraw/zinc/99/39/79/1070993979.db2.gz OLBDLKNTGGXINC-RBUKOAKNSA-N 1 0 415.538 -0.302 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000521988727 1070994038 /nfs/dbraw/zinc/99/40/38/1070994038.db2.gz OLBDLKNTGGXINC-RTBURBONSA-N 1 0 415.538 -0.302 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCCN2CC[NH+](C)CC2)cn1C ZINC000522010905 1071001121 /nfs/dbraw/zinc/00/11/21/1071001121.db2.gz BGYHGTUCOUEYHO-UHFFFAOYSA-N 1 0 400.549 -0.507 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cn1C ZINC000522011096 1070999400 /nfs/dbraw/zinc/99/94/00/1070999400.db2.gz HMZRYIWPNDTRER-UHFFFAOYSA-N 1 0 412.560 -0.507 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000522016778 1071001854 /nfs/dbraw/zinc/00/18/54/1071001854.db2.gz QLKZQNKHGFFHGV-CYBMUJFWSA-N 1 0 424.514 -0.086 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000522016779 1071002121 /nfs/dbraw/zinc/00/21/21/1071002121.db2.gz QLKZQNKHGFFHGV-ZDUSSCGKSA-N 1 0 424.514 -0.086 20 0 HBADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000522022066 1071002838 /nfs/dbraw/zinc/00/28/38/1071002838.db2.gz FAHKAOZUSDSVAS-KBPBESRZSA-N 1 0 406.574 -0.578 20 0 HBADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000522022068 1071002799 /nfs/dbraw/zinc/00/27/99/1071002799.db2.gz FAHKAOZUSDSVAS-KGLIPLIRSA-N 1 0 406.574 -0.578 20 0 HBADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000522022069 1071002371 /nfs/dbraw/zinc/00/23/71/1071002371.db2.gz FAHKAOZUSDSVAS-UONOGXRCSA-N 1 0 406.574 -0.578 20 0 HBADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000522022070 1071002452 /nfs/dbraw/zinc/00/24/52/1071002452.db2.gz FAHKAOZUSDSVAS-ZIAGYGMSSA-N 1 0 406.574 -0.578 20 0 HBADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@H](C)O1 ZINC000522025238 1071001420 /nfs/dbraw/zinc/00/14/20/1071001420.db2.gz KKVUTQLEJGWFRC-FCEWJHQRSA-N 1 0 404.511 -0.182 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@@H](C)O1 ZINC000522025239 1071001641 /nfs/dbraw/zinc/00/16/41/1071001641.db2.gz KKVUTQLEJGWFRC-GPMSIDNRSA-N 1 0 404.511 -0.182 20 0 HBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@H](C)O1 ZINC000522025240 1071001599 /nfs/dbraw/zinc/00/15/99/1071001599.db2.gz KKVUTQLEJGWFRC-JTDSTZFVSA-N 1 0 404.511 -0.182 20 0 HBADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@@H](C)O1 ZINC000522025241 1071001269 /nfs/dbraw/zinc/00/12/69/1071001269.db2.gz KKVUTQLEJGWFRC-MDZRGWNJSA-N 1 0 404.511 -0.182 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000522026878 1071003275 /nfs/dbraw/zinc/00/32/75/1071003275.db2.gz KRZORVJVTMDEIZ-LUKYLMHMSA-N 1 0 401.504 -0.461 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000522026881 1071003144 /nfs/dbraw/zinc/00/31/44/1071003144.db2.gz KRZORVJVTMDEIZ-VVLHAWIVSA-N 1 0 401.504 -0.461 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000522026883 1071003512 /nfs/dbraw/zinc/00/35/12/1071003512.db2.gz KRZORVJVTMDEIZ-WCXIOVBPSA-N 1 0 401.504 -0.461 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000522026884 1071003434 /nfs/dbraw/zinc/00/34/34/1071003434.db2.gz KRZORVJVTMDEIZ-YYIAUSFCSA-N 1 0 401.504 -0.461 20 0 HBADRO C[NH+]1CCN(CCNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000522033055 1071004294 /nfs/dbraw/zinc/00/42/94/1071004294.db2.gz OWOVRMWBTUGOFD-UHFFFAOYSA-N 1 0 424.523 -0.534 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000522045406 1071006515 /nfs/dbraw/zinc/00/65/15/1071006515.db2.gz NLFDCMNJINFCBV-CVEARBPZSA-N 1 0 412.560 -0.211 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000522045407 1071006201 /nfs/dbraw/zinc/00/62/01/1071006201.db2.gz NLFDCMNJINFCBV-HOTGVXAUSA-N 1 0 412.560 -0.211 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000522045408 1071006375 /nfs/dbraw/zinc/00/63/75/1071006375.db2.gz NLFDCMNJINFCBV-HZPDHXFCSA-N 1 0 412.560 -0.211 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000522045409 1071006028 /nfs/dbraw/zinc/00/60/28/1071006028.db2.gz NLFDCMNJINFCBV-JKSUJKDBSA-N 1 0 412.560 -0.211 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000522045445 1071006280 /nfs/dbraw/zinc/00/62/80/1071006280.db2.gz OYNUDRFGHOIACU-GOSISDBHSA-N 1 0 423.583 -0.337 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cc1 ZINC000522045446 1071006089 /nfs/dbraw/zinc/00/60/89/1071006089.db2.gz OYNUDRFGHOIACU-SFHVURJKSA-N 1 0 423.583 -0.337 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000522046276 1071007089 /nfs/dbraw/zinc/00/70/89/1071007089.db2.gz CVPSVOVJMJMOPD-HNNXBMFYSA-N 1 0 413.544 -0.759 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000522046277 1071006963 /nfs/dbraw/zinc/00/69/63/1071006963.db2.gz CVPSVOVJMJMOPD-OAHLLOKOSA-N 1 0 413.544 -0.759 20 0 HBADRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000522046347 1071619449 /nfs/dbraw/zinc/61/94/49/1071619449.db2.gz HJKPOIZLGAUHDU-KRWDZBQOSA-N 1 0 410.540 -0.008 20 0 HBADRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000522046348 1071006904 /nfs/dbraw/zinc/00/69/04/1071006904.db2.gz HJKPOIZLGAUHDU-QGZVFWFLSA-N 1 0 410.540 -0.008 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000522075504 1071011588 /nfs/dbraw/zinc/01/15/88/1071011588.db2.gz MASBLOKZPHDMEG-KRWDZBQOSA-N 1 0 403.531 -0.335 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000522075505 1071011401 /nfs/dbraw/zinc/01/14/01/1071011401.db2.gz MASBLOKZPHDMEG-QGZVFWFLSA-N 1 0 403.531 -0.335 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000522099061 1071014777 /nfs/dbraw/zinc/01/47/77/1071014777.db2.gz YSMBBWUSZYEGQA-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000522099062 1071014616 /nfs/dbraw/zinc/01/46/16/1071014616.db2.gz YSMBBWUSZYEGQA-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)CC1 ZINC000522114686 1071016103 /nfs/dbraw/zinc/01/61/03/1071016103.db2.gz KKYHDYRALWJEHN-UHFFFAOYSA-N 1 0 420.558 -0.323 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 ZINC000522124197 1069547060 /nfs/dbraw/zinc/54/70/60/1069547060.db2.gz FWALSUGLGMDCSG-UHFFFAOYSA-N 1 0 420.495 -0.183 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1=O ZINC000522169378 1071020120 /nfs/dbraw/zinc/02/01/20/1071020120.db2.gz DEWICGFHZGMVFV-DOTOQJQBSA-N 1 0 419.526 -0.731 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1=O ZINC000522169379 1071019757 /nfs/dbraw/zinc/01/97/57/1071019757.db2.gz DEWICGFHZGMVFV-NVXWUHKLSA-N 1 0 419.526 -0.731 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1=O ZINC000522169380 1071020584 /nfs/dbraw/zinc/02/05/84/1071020584.db2.gz DEWICGFHZGMVFV-RDJZCZTQSA-N 1 0 419.526 -0.731 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1=O ZINC000522169381 1071020265 /nfs/dbraw/zinc/02/02/65/1071020265.db2.gz DEWICGFHZGMVFV-WBVHZDCISA-N 1 0 419.526 -0.731 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O ZINC000522174586 1071021631 /nfs/dbraw/zinc/02/16/31/1071021631.db2.gz CHNYLNWHRHXOGR-AEFFLSMTSA-N 1 0 405.543 -0.258 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O ZINC000522174587 1071021371 /nfs/dbraw/zinc/02/13/71/1071021371.db2.gz CHNYLNWHRHXOGR-FUHWJXTLSA-N 1 0 405.543 -0.258 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O ZINC000522174588 1071021672 /nfs/dbraw/zinc/02/16/72/1071021672.db2.gz CHNYLNWHRHXOGR-SJLPKXTDSA-N 1 0 405.543 -0.258 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O ZINC000522174589 1071021584 /nfs/dbraw/zinc/02/15/84/1071021584.db2.gz CHNYLNWHRHXOGR-WMZOPIPTSA-N 1 0 405.543 -0.258 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000522189851 1071060261 /nfs/dbraw/zinc/06/02/61/1071060261.db2.gz YCIBLCQVMIXOEZ-AWEZNQCLSA-N 1 0 404.515 -0.421 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000522189852 1071060110 /nfs/dbraw/zinc/06/01/10/1071060110.db2.gz YCIBLCQVMIXOEZ-CQSZACIVSA-N 1 0 404.515 -0.421 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cn1C ZINC000522190108 1071060346 /nfs/dbraw/zinc/06/03/46/1071060346.db2.gz NCKDZSFRDSVWDL-UHFFFAOYSA-N 1 0 400.549 -0.509 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000522190763 1071061975 /nfs/dbraw/zinc/06/19/75/1071061975.db2.gz GREWSCQFCHOTHZ-AWEZNQCLSA-N 1 0 400.549 -0.603 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000522190772 1071062172 /nfs/dbraw/zinc/06/21/72/1071062172.db2.gz GREWSCQFCHOTHZ-CQSZACIVSA-N 1 0 400.549 -0.603 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000522191304 1071063028 /nfs/dbraw/zinc/06/30/28/1071063028.db2.gz WHOWSSPIFDXALB-UHFFFAOYSA-N 1 0 404.515 -0.326 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000522206957 1071069168 /nfs/dbraw/zinc/06/91/68/1071069168.db2.gz VKHDYBPPVJQCLA-HOTGVXAUSA-N 1 0 401.577 -0.081 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000522206958 1071069118 /nfs/dbraw/zinc/06/91/18/1071069118.db2.gz VKHDYBPPVJQCLA-HZPDHXFCSA-N 1 0 401.577 -0.081 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000522206959 1071069257 /nfs/dbraw/zinc/06/92/57/1071069257.db2.gz VKHDYBPPVJQCLA-IYBDPMFKSA-N 1 0 401.577 -0.081 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cn1C ZINC000522241025 1071075794 /nfs/dbraw/zinc/07/57/94/1071075794.db2.gz HQZPGTRABDFFBZ-UHFFFAOYSA-N 1 0 421.527 -0.530 20 0 HBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)CC1 ZINC000522272851 1071081576 /nfs/dbraw/zinc/08/15/76/1071081576.db2.gz WLGGBUNVGFHOAU-UHFFFAOYSA-N 1 0 409.556 -0.034 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NCCOC)CC2)CC1=O ZINC000522273268 1071080948 /nfs/dbraw/zinc/08/09/48/1071080948.db2.gz LHIZWLNEKWWNHZ-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NCCOC)CC2)CC1=O ZINC000522273269 1071080742 /nfs/dbraw/zinc/08/07/42/1071080742.db2.gz LHIZWLNEKWWNHZ-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NCCOC)CC2)CC1=O ZINC000522273270 1071080700 /nfs/dbraw/zinc/08/07/00/1071080700.db2.gz LHIZWLNEKWWNHZ-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NCCOC)CC2)CC1=O ZINC000522273271 1071081067 /nfs/dbraw/zinc/08/10/67/1071081067.db2.gz LHIZWLNEKWWNHZ-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](Cc3cccnc3)CC1)c(=O)n2C ZINC000522284875 1071082701 /nfs/dbraw/zinc/08/27/01/1071082701.db2.gz AMBYBVHFJNEMRC-UHFFFAOYSA-N 1 0 411.466 -0.391 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000522286484 1071082893 /nfs/dbraw/zinc/08/28/93/1071082893.db2.gz JWSFDOBDPBFCHS-MSOLQXFVSA-N 1 0 410.563 -0.803 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000522286485 1071082979 /nfs/dbraw/zinc/08/29/79/1071082979.db2.gz JWSFDOBDPBFCHS-QZTJIDSGSA-N 1 0 410.563 -0.803 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000522286486 1071083840 /nfs/dbraw/zinc/08/38/40/1071083840.db2.gz JWSFDOBDPBFCHS-ROUUACIJSA-N 1 0 410.563 -0.803 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000522286487 1071083466 /nfs/dbraw/zinc/08/34/66/1071083466.db2.gz JWSFDOBDPBFCHS-ZWKOTPCHSA-N 1 0 410.563 -0.803 20 0 HBADRO Cn1c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000522286875 1071082859 /nfs/dbraw/zinc/08/28/59/1071082859.db2.gz GXRMZGAFIQWSBE-UHFFFAOYSA-N 1 0 421.498 -0.079 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000522288730 1071083575 /nfs/dbraw/zinc/08/35/75/1071083575.db2.gz UYTPDABKMZAVKE-HNNXBMFYSA-N 1 0 400.549 -0.958 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000522288731 1071083727 /nfs/dbraw/zinc/08/37/27/1071083727.db2.gz UYTPDABKMZAVKE-OAHLLOKOSA-N 1 0 400.549 -0.958 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000522319285 1071088676 /nfs/dbraw/zinc/08/86/76/1071088676.db2.gz RROJOZFJEWXFOZ-KRWDZBQOSA-N 1 0 411.547 -0.328 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000522319286 1071088565 /nfs/dbraw/zinc/08/85/65/1071088565.db2.gz RROJOZFJEWXFOZ-QGZVFWFLSA-N 1 0 411.547 -0.328 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000522362037 1071096780 /nfs/dbraw/zinc/09/67/80/1071096780.db2.gz WODZIWCCASRSKJ-CABCVRRESA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000522362038 1071096512 /nfs/dbraw/zinc/09/65/12/1071096512.db2.gz WODZIWCCASRSKJ-GJZGRUSLSA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000522362039 1071097216 /nfs/dbraw/zinc/09/72/16/1071097216.db2.gz WODZIWCCASRSKJ-HUUCEWRRSA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000522362040 1071097389 /nfs/dbraw/zinc/09/73/89/1071097389.db2.gz WODZIWCCASRSKJ-LSDHHAIUSA-N 1 0 420.514 -0.313 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000522366110 1071097557 /nfs/dbraw/zinc/09/75/57/1071097557.db2.gz FSCKTRGCOKQXGU-UHFFFAOYSA-N 1 0 420.539 -0.145 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000522371901 1071097289 /nfs/dbraw/zinc/09/72/89/1071097289.db2.gz HGXXQVIXBDXXOO-KBPBESRZSA-N 1 0 402.517 -0.501 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000522371902 1071097424 /nfs/dbraw/zinc/09/74/24/1071097424.db2.gz HGXXQVIXBDXXOO-KGLIPLIRSA-N 1 0 402.517 -0.501 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000522371903 1071098326 /nfs/dbraw/zinc/09/83/26/1071098326.db2.gz HGXXQVIXBDXXOO-UONOGXRCSA-N 1 0 402.517 -0.501 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000522371904 1071098153 /nfs/dbraw/zinc/09/81/53/1071098153.db2.gz HGXXQVIXBDXXOO-ZIAGYGMSSA-N 1 0 402.517 -0.501 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000522376520 1071098668 /nfs/dbraw/zinc/09/86/68/1071098668.db2.gz AHUPEXWJLFBVJT-UHFFFAOYSA-N 1 0 407.500 -0.616 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)CCn3cc(S(N)(=O)=O)cn3)ccn2)CC1 ZINC000522401876 1071105944 /nfs/dbraw/zinc/10/59/44/1071105944.db2.gz PBIYXFATYVGLJZ-UHFFFAOYSA-N 1 0 407.500 -0.616 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c(=O)n2C ZINC000522410486 1071106462 /nfs/dbraw/zinc/10/64/62/1071106462.db2.gz ZEIKXHFJDXSRQB-UHFFFAOYSA-N 1 0 402.430 -0.049 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000522442547 1071130503 /nfs/dbraw/zinc/13/05/03/1071130503.db2.gz SHGDPNAOJOCXON-DLBZAZTESA-N 1 0 409.531 -0.038 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000522442548 1071130457 /nfs/dbraw/zinc/13/04/57/1071130457.db2.gz SHGDPNAOJOCXON-IAGOWNOFSA-N 1 0 409.531 -0.038 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000522442549 1071130600 /nfs/dbraw/zinc/13/06/00/1071130600.db2.gz SHGDPNAOJOCXON-IRXDYDNUSA-N 1 0 409.531 -0.038 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000522442550 1071131296 /nfs/dbraw/zinc/13/12/96/1071131296.db2.gz SHGDPNAOJOCXON-SJORKVTESA-N 1 0 409.531 -0.038 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522442639 1071130521 /nfs/dbraw/zinc/13/05/21/1071130521.db2.gz WCANYNVHBKWADA-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522442640 1071130634 /nfs/dbraw/zinc/13/06/34/1071130634.db2.gz WCANYNVHBKWADA-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CC[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C1CC1 ZINC000522442660 1071130481 /nfs/dbraw/zinc/13/04/81/1071130481.db2.gz WSIALQUMRAYGJX-UHFFFAOYSA-N 1 0 413.500 -0.121 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000522446426 1071133080 /nfs/dbraw/zinc/13/30/80/1071133080.db2.gz XPYMXCSYXLDDQC-KRWDZBQOSA-N 1 0 408.547 -0.465 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000522446427 1071134114 /nfs/dbraw/zinc/13/41/14/1071134114.db2.gz XPYMXCSYXLDDQC-QGZVFWFLSA-N 1 0 408.547 -0.465 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522447673 1071135385 /nfs/dbraw/zinc/13/53/85/1071135385.db2.gz VQKCXKPJBMHIBN-KRWDZBQOSA-N 1 0 410.563 -0.219 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522447674 1071135594 /nfs/dbraw/zinc/13/55/94/1071135594.db2.gz VQKCXKPJBMHIBN-QGZVFWFLSA-N 1 0 410.563 -0.219 20 0 HBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1Cl ZINC000522485835 1071171597 /nfs/dbraw/zinc/17/15/97/1071171597.db2.gz FSQGBPJNJULTPI-GFCCVEGCSA-N 1 0 400.863 -0.216 20 0 HBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1Cl ZINC000522485836 1071171577 /nfs/dbraw/zinc/17/15/77/1071171577.db2.gz FSQGBPJNJULTPI-LBPRGKRZSA-N 1 0 400.863 -0.216 20 0 HBADRO C[NH+](C)Cc1cc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1F ZINC000522495040 1071172292 /nfs/dbraw/zinc/17/22/92/1071172292.db2.gz OGGGSUXFHFUYTG-UHFFFAOYSA-N 1 0 404.450 -0.072 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000522500206 1071173753 /nfs/dbraw/zinc/17/37/53/1071173753.db2.gz YFSKCFXLWALNPY-INIZCTEOSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000522500207 1071173810 /nfs/dbraw/zinc/17/38/10/1071173810.db2.gz YFSKCFXLWALNPY-MRXNPFEDSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000522502306 1071174534 /nfs/dbraw/zinc/17/45/34/1071174534.db2.gz SYOLWBKVGVEICA-INIZCTEOSA-N 1 0 414.470 -0.340 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000522502307 1071174656 /nfs/dbraw/zinc/17/46/56/1071174656.db2.gz SYOLWBKVGVEICA-MRXNPFEDSA-N 1 0 414.470 -0.340 20 0 HBADRO CS(=O)(=O)N[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000522661620 1071193529 /nfs/dbraw/zinc/19/35/29/1071193529.db2.gz HIRCCRNPKPWFRM-INIZCTEOSA-N 1 0 402.561 -0.239 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000522661621 1071193334 /nfs/dbraw/zinc/19/33/34/1071193334.db2.gz HIRCCRNPKPWFRM-MRXNPFEDSA-N 1 0 402.561 -0.239 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000522693534 1071197283 /nfs/dbraw/zinc/19/72/83/1071197283.db2.gz KDMXLVLWQCTSNR-UHFFFAOYSA-N 1 0 419.534 -0.915 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000522756135 1071208577 /nfs/dbraw/zinc/20/85/77/1071208577.db2.gz KONIGZJYNHAFLO-INIZCTEOSA-N 1 0 413.544 -0.344 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000522756136 1071208506 /nfs/dbraw/zinc/20/85/06/1071208506.db2.gz KONIGZJYNHAFLO-MRXNPFEDSA-N 1 0 413.544 -0.344 20 0 HBADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000522765446 1071209181 /nfs/dbraw/zinc/20/91/81/1071209181.db2.gz CMPRFHHLNGUZBN-UHFFFAOYSA-N 1 0 402.448 -0.537 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@H+](C)C3CCCCC3)cnc2n(C)c1=O ZINC000522771099 1071211015 /nfs/dbraw/zinc/21/10/15/1071211015.db2.gz FTWKHHOWSUJMSV-UHFFFAOYSA-N 1 0 416.482 -0.049 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000522771837 1071209273 /nfs/dbraw/zinc/20/92/73/1071209273.db2.gz WGGZFUWNVGYMHN-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000522771860 1071209382 /nfs/dbraw/zinc/20/93/82/1071209382.db2.gz YNZMYGUDLVTVGS-UHFFFAOYSA-N 1 0 422.482 -0.200 20 0 HBADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000522774239 1071210741 /nfs/dbraw/zinc/21/07/41/1071210741.db2.gz NATXJKLTZJLKBU-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000522775068 1071211638 /nfs/dbraw/zinc/21/16/38/1071211638.db2.gz YDVVPHAWLJLKEB-UHFFFAOYSA-N 1 0 416.475 -0.002 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)cnc2n(C)c1=O ZINC000522789155 1071215332 /nfs/dbraw/zinc/21/53/32/1071215332.db2.gz DGKWFTKMYURFFO-UHFFFAOYSA-N 1 0 402.455 -0.439 20 0 HBADRO O=C(NCCC[NH+]1CCCC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522826149 1071220154 /nfs/dbraw/zinc/22/01/54/1071220154.db2.gz NUTZXZVFCYTILB-UHFFFAOYSA-N 1 0 403.549 -0.187 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCCCC1 ZINC000522828310 1071220806 /nfs/dbraw/zinc/22/08/06/1071220806.db2.gz BMDUPVJSDAGUBN-CYBMUJFWSA-N 1 0 416.482 -0.191 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C[NH+]1CCCCC1 ZINC000522828311 1071220891 /nfs/dbraw/zinc/22/08/91/1071220891.db2.gz BMDUPVJSDAGUBN-ZDUSSCGKSA-N 1 0 416.482 -0.191 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2oc1=O ZINC000522828891 1071220936 /nfs/dbraw/zinc/22/09/36/1071220936.db2.gz AWALJEIIABOILW-GFCCVEGCSA-N 1 0 403.439 -0.226 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2oc1=O ZINC000522828892 1071221007 /nfs/dbraw/zinc/22/10/07/1071221007.db2.gz AWALJEIIABOILW-LBPRGKRZSA-N 1 0 403.439 -0.226 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000522829700 1071220874 /nfs/dbraw/zinc/22/08/74/1071220874.db2.gz SWBCKJRBKSEUAV-INIZCTEOSA-N 1 0 413.482 -0.032 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000522829701 1071220794 /nfs/dbraw/zinc/22/07/94/1071220794.db2.gz SWBCKJRBKSEUAV-MRXNPFEDSA-N 1 0 413.482 -0.032 20 0 HBADRO CC(=O)NCc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000522829744 1071220760 /nfs/dbraw/zinc/22/07/60/1071220760.db2.gz WFIRPJKFQAAYHU-INIZCTEOSA-N 1 0 403.483 -0.035 20 0 HBADRO CC(=O)NCc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000522829745 1071220859 /nfs/dbraw/zinc/22/08/59/1071220859.db2.gz WFIRPJKFQAAYHU-MRXNPFEDSA-N 1 0 403.483 -0.035 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000522831371 1071220815 /nfs/dbraw/zinc/22/08/15/1071220815.db2.gz ZITXPKHYTKEDMM-HNNXBMFYSA-N 1 0 405.499 -0.121 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000522831372 1071220724 /nfs/dbraw/zinc/22/07/24/1071220724.db2.gz ZITXPKHYTKEDMM-OAHLLOKOSA-N 1 0 405.499 -0.121 20 0 HBADRO O=C(NCC[NH+]1CCCCC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522835997 1071221667 /nfs/dbraw/zinc/22/16/67/1071221667.db2.gz QJDUIWOEMYCDJR-UHFFFAOYSA-N 1 0 403.549 -0.187 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000522836730 1071221544 /nfs/dbraw/zinc/22/15/44/1071221544.db2.gz QVAGEHJWJKXDGM-KRWDZBQOSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000522836731 1071221733 /nfs/dbraw/zinc/22/17/33/1071221733.db2.gz QVAGEHJWJKXDGM-QGZVFWFLSA-N 1 0 415.560 -0.093 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522852268 1071222295 /nfs/dbraw/zinc/22/22/95/1071222295.db2.gz REUITUKQVNOSNT-NRFANRHFSA-N 1 0 402.495 -0.180 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522852269 1071222836 /nfs/dbraw/zinc/22/28/36/1071222836.db2.gz REUITUKQVNOSNT-OAQYLSRUSA-N 1 0 402.495 -0.180 20 0 HBADRO Cn1c2ncn(CC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000522890333 1071229668 /nfs/dbraw/zinc/22/96/68/1071229668.db2.gz CVBLEGQYZQHEKU-UHFFFAOYSA-N 1 0 404.471 -0.996 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1C ZINC000522911802 1071235292 /nfs/dbraw/zinc/23/52/92/1071235292.db2.gz LDWTUBWECZKBIU-UHFFFAOYSA-N 1 0 413.544 -0.032 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000522930967 1071238713 /nfs/dbraw/zinc/23/87/13/1071238713.db2.gz WSARMVVIVMZBNY-CVEARBPZSA-N 1 0 400.545 -0.692 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000522930968 1071238423 /nfs/dbraw/zinc/23/84/23/1071238423.db2.gz WSARMVVIVMZBNY-HOTGVXAUSA-N 1 0 400.545 -0.692 20 0 HBADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000522930969 1071238660 /nfs/dbraw/zinc/23/86/60/1071238660.db2.gz WSARMVVIVMZBNY-HZPDHXFCSA-N 1 0 400.545 -0.692 20 0 HBADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000522930970 1071238633 /nfs/dbraw/zinc/23/86/33/1071238633.db2.gz WSARMVVIVMZBNY-JKSUJKDBSA-N 1 0 400.545 -0.692 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522933083 1071239880 /nfs/dbraw/zinc/23/98/80/1071239880.db2.gz XYXSBHXXRQKJTO-CYBMUJFWSA-N 1 0 403.483 -0.194 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522933084 1071239951 /nfs/dbraw/zinc/23/99/51/1071239951.db2.gz XYXSBHXXRQKJTO-ZDUSSCGKSA-N 1 0 403.483 -0.194 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522935358 1071239930 /nfs/dbraw/zinc/23/99/30/1071239930.db2.gz OAWDPLUTTLDVQL-MSOLQXFVSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522935359 1071240221 /nfs/dbraw/zinc/24/02/21/1071240221.db2.gz OAWDPLUTTLDVQL-QZTJIDSGSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522935360 1071239896 /nfs/dbraw/zinc/23/98/96/1071239896.db2.gz OAWDPLUTTLDVQL-ROUUACIJSA-N 1 0 408.543 -0.216 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522935361 1071240171 /nfs/dbraw/zinc/24/01/71/1071240171.db2.gz OAWDPLUTTLDVQL-ZWKOTPCHSA-N 1 0 408.543 -0.216 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1C ZINC000522970281 1071244641 /nfs/dbraw/zinc/24/46/41/1071244641.db2.gz DPKYKRDSFIVDQN-UHFFFAOYSA-N 1 0 407.500 -0.208 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000522974230 1071245807 /nfs/dbraw/zinc/24/58/07/1071245807.db2.gz CWUANABBVZIVEP-INIZCTEOSA-N 1 0 418.560 -0.021 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000522974231 1071245995 /nfs/dbraw/zinc/24/59/95/1071245995.db2.gz CWUANABBVZIVEP-MRXNPFEDSA-N 1 0 418.560 -0.021 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000522985757 1071246088 /nfs/dbraw/zinc/24/60/88/1071246088.db2.gz LFOGORZZXAYOFE-HNNXBMFYSA-N 1 0 411.528 -0.114 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000522985758 1071245840 /nfs/dbraw/zinc/24/58/40/1071245840.db2.gz LFOGORZZXAYOFE-OAHLLOKOSA-N 1 0 411.528 -0.114 20 0 HBADRO CN(CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000522995652 1071246894 /nfs/dbraw/zinc/24/68/94/1071246894.db2.gz AOWUMBRKZIYKFQ-KRWDZBQOSA-N 1 0 410.540 -0.287 20 0 HBADRO CN(CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000522995653 1071246689 /nfs/dbraw/zinc/24/66/89/1071246689.db2.gz AOWUMBRKZIYKFQ-QGZVFWFLSA-N 1 0 410.540 -0.287 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000523035452 1071287346 /nfs/dbraw/zinc/28/73/46/1071287346.db2.gz RYCITUMFCGJIFF-HNNXBMFYSA-N 1 0 406.439 -0.084 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000523035453 1071287432 /nfs/dbraw/zinc/28/74/32/1071287432.db2.gz RYCITUMFCGJIFF-OAHLLOKOSA-N 1 0 406.439 -0.084 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000523036605 1071288304 /nfs/dbraw/zinc/28/83/04/1071288304.db2.gz ITEOJKGTVMDWQO-UHFFFAOYSA-N 1 0 413.500 -0.429 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000523040124 1071288813 /nfs/dbraw/zinc/28/88/13/1071288813.db2.gz AWTDIMZUGXARFQ-INIZCTEOSA-N 1 0 412.512 -0.099 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000523040125 1071289006 /nfs/dbraw/zinc/28/90/06/1071289006.db2.gz AWTDIMZUGXARFQ-MRXNPFEDSA-N 1 0 412.512 -0.099 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000523040615 1071289081 /nfs/dbraw/zinc/28/90/81/1071289081.db2.gz WEIAQHGCMSLLLX-CYBMUJFWSA-N 1 0 402.448 -0.361 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000523040616 1071289044 /nfs/dbraw/zinc/28/90/44/1071289044.db2.gz WEIAQHGCMSLLLX-ZDUSSCGKSA-N 1 0 402.448 -0.361 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)ccc2oc1=O ZINC000523045211 1071292799 /nfs/dbraw/zinc/29/27/99/1071292799.db2.gz CTMKPSAUYLYVFU-UHFFFAOYSA-N 1 0 417.422 -0.640 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)c2)CC1 ZINC000523047084 1071293655 /nfs/dbraw/zinc/29/36/55/1071293655.db2.gz YCJVABGIKYZTIR-UHFFFAOYSA-N 1 0 401.467 -0.362 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000523049300 1071295571 /nfs/dbraw/zinc/29/55/71/1071295571.db2.gz ZECDHRCIXVKBCF-UHFFFAOYSA-N 1 0 419.482 -0.168 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1S(N)(=O)=O ZINC000523051933 1071296193 /nfs/dbraw/zinc/29/61/93/1071296193.db2.gz ZQXNDWYMAGKBLZ-UHFFFAOYSA-N 1 0 423.539 -0.179 20 0 HBADRO CCc1ccc(NC(=O)C(=O)NCCN2CC[NH+](CC)CC2)cc1S(N)(=O)=O ZINC000523053170 1071298754 /nfs/dbraw/zinc/29/87/54/1071298754.db2.gz AGWQGTVDSBKKRM-UHFFFAOYSA-N 1 0 411.528 -0.411 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000523057119 1071299422 /nfs/dbraw/zinc/29/94/22/1071299422.db2.gz YPEHGBQBUOYKPV-GOSISDBHSA-N 1 0 417.510 -0.049 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000523057120 1071299294 /nfs/dbraw/zinc/29/92/94/1071299294.db2.gz YPEHGBQBUOYKPV-SFHVURJKSA-N 1 0 417.510 -0.049 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000523068370 1071300795 /nfs/dbraw/zinc/30/07/95/1071300795.db2.gz LLZICYOBUPMGEC-GOSISDBHSA-N 1 0 417.510 -0.330 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000523068371 1071301007 /nfs/dbraw/zinc/30/10/07/1071301007.db2.gz LLZICYOBUPMGEC-SFHVURJKSA-N 1 0 417.510 -0.330 20 0 HBADRO NS(=O)(=O)CCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000523072119 1071301675 /nfs/dbraw/zinc/30/16/75/1071301675.db2.gz HPRZEKLKLYIVKL-UHFFFAOYSA-N 1 0 423.539 -0.048 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000523072567 1071301528 /nfs/dbraw/zinc/30/15/28/1071301528.db2.gz LKEUHYPSLIDOPS-UHFFFAOYSA-N 1 0 416.482 -0.191 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCC3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000523072979 1071301655 /nfs/dbraw/zinc/30/16/55/1071301655.db2.gz LFCTUTYSRFDMRE-UHFFFAOYSA-N 1 0 402.455 -0.581 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000523074900 1071302365 /nfs/dbraw/zinc/30/23/65/1071302365.db2.gz YZGKKFPPXPUGSW-INIZCTEOSA-N 1 0 423.539 -0.099 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000523074901 1071302187 /nfs/dbraw/zinc/30/21/87/1071302187.db2.gz YZGKKFPPXPUGSW-MRXNPFEDSA-N 1 0 423.539 -0.099 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1 ZINC000523082792 1071304099 /nfs/dbraw/zinc/30/40/99/1071304099.db2.gz BHBRFQHALUSYMK-UHFFFAOYSA-N 1 0 413.500 -0.429 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cn1 ZINC000523093459 1071303599 /nfs/dbraw/zinc/30/35/99/1071303599.db2.gz LJTAAPXYZRZQJB-UHFFFAOYSA-N 1 0 403.505 -0.570 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000523093460 1071303535 /nfs/dbraw/zinc/30/35/35/1071303535.db2.gz LTDRDQWVIFYWGT-UHFFFAOYSA-N 1 0 419.482 -0.022 20 0 HBADRO Cn1c2ncn(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000523094187 1071303686 /nfs/dbraw/zinc/30/36/86/1071303686.db2.gz REWPZVRBSZHQEA-UHFFFAOYSA-N 1 0 422.486 -0.834 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cn1C ZINC000523114799 1071315127 /nfs/dbraw/zinc/31/51/27/1071315127.db2.gz ODPUQJLUENBJGO-UHFFFAOYSA-N 1 0 417.532 -0.261 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2O1 ZINC000523116382 1071316823 /nfs/dbraw/zinc/31/68/23/1071316823.db2.gz QYPUYARCHAFWLV-CRAIPNDOSA-N 1 0 418.494 -0.120 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2O1 ZINC000523116383 1071316953 /nfs/dbraw/zinc/31/69/53/1071316953.db2.gz QYPUYARCHAFWLV-MAUKXSAKSA-N 1 0 418.494 -0.120 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2O1 ZINC000523116384 1071316981 /nfs/dbraw/zinc/31/69/81/1071316981.db2.gz QYPUYARCHAFWLV-QAPCUYQASA-N 1 0 418.494 -0.120 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2O1 ZINC000523116385 1071316672 /nfs/dbraw/zinc/31/66/72/1071316672.db2.gz QYPUYARCHAFWLV-YJBOKZPZSA-N 1 0 418.494 -0.120 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2C1=O ZINC000523117201 1071316552 /nfs/dbraw/zinc/31/65/52/1071316552.db2.gz YGJRUJBHLJVWRT-AWEZNQCLSA-N 1 0 401.423 -0.693 20 0 HBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2C1=O ZINC000523117202 1071316710 /nfs/dbraw/zinc/31/67/10/1071316710.db2.gz YGJRUJBHLJVWRT-CQSZACIVSA-N 1 0 401.423 -0.693 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1S(N)(=O)=O ZINC000523117714 1071316764 /nfs/dbraw/zinc/31/67/64/1071316764.db2.gz QQIPIVCVLTZZEJ-HNNXBMFYSA-N 1 0 412.512 -0.066 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1S(N)(=O)=O ZINC000523117715 1071316970 /nfs/dbraw/zinc/31/69/70/1071316970.db2.gz QQIPIVCVLTZZEJ-OAHLLOKOSA-N 1 0 412.512 -0.066 20 0 HBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2CCC1=O ZINC000523118233 1071317541 /nfs/dbraw/zinc/31/75/41/1071317541.db2.gz HSPFDAUPJXHFEQ-INIZCTEOSA-N 1 0 401.467 -0.010 20 0 HBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2CCC1=O ZINC000523118234 1071317664 /nfs/dbraw/zinc/31/76/64/1071317664.db2.gz HSPFDAUPJXHFEQ-MRXNPFEDSA-N 1 0 401.467 -0.010 20 0 HBADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000523119066 1071316891 /nfs/dbraw/zinc/31/68/91/1071316891.db2.gz NRFZBIZKCFMLAS-HNNXBMFYSA-N 1 0 410.496 -0.125 20 0 HBADRO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000523119067 1071316624 /nfs/dbraw/zinc/31/66/24/1071316624.db2.gz NRFZBIZKCFMLAS-OAHLLOKOSA-N 1 0 410.496 -0.125 20 0 HBADRO C[C@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2NC1=O ZINC000523120232 1071317405 /nfs/dbraw/zinc/31/74/05/1071317405.db2.gz FITHFUFHHMAUDN-BXUZGUMPSA-N 1 0 403.439 -0.200 20 0 HBADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2NC1=O ZINC000523120233 1071317582 /nfs/dbraw/zinc/31/75/82/1071317582.db2.gz FITHFUFHHMAUDN-FZMZJTMJSA-N 1 0 403.439 -0.200 20 0 HBADRO C[C@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2NC1=O ZINC000523120234 1071317616 /nfs/dbraw/zinc/31/76/16/1071317616.db2.gz FITHFUFHHMAUDN-RISCZKNCSA-N 1 0 403.439 -0.200 20 0 HBADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2NC1=O ZINC000523120235 1071317253 /nfs/dbraw/zinc/31/72/53/1071317253.db2.gz FITHFUFHHMAUDN-SMDDNHRTSA-N 1 0 403.439 -0.200 20 0 HBADRO Cn1c(=O)ccn(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1=O ZINC000523127215 1071319000 /nfs/dbraw/zinc/31/90/00/1071319000.db2.gz UAKLSBNCODCEEJ-UHFFFAOYSA-N 1 0 415.494 -0.164 20 0 HBADRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523128333 1071318678 /nfs/dbraw/zinc/31/86/78/1071318678.db2.gz PIFDNSXFEJCKRG-UHFFFAOYSA-N 1 0 414.510 -0.206 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523138823 1071318781 /nfs/dbraw/zinc/31/87/81/1071318781.db2.gz MIHRXMOMEQBUKZ-AWEZNQCLSA-N 1 0 416.526 -0.056 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523138824 1071318700 /nfs/dbraw/zinc/31/87/00/1071318700.db2.gz MIHRXMOMEQBUKZ-CQSZACIVSA-N 1 0 416.526 -0.056 20 0 HBADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523152030 1071320116 /nfs/dbraw/zinc/32/01/16/1071320116.db2.gz MUKVVMYGKOMQAK-CYBMUJFWSA-N 1 0 416.482 -0.742 20 0 HBADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523152031 1071320392 /nfs/dbraw/zinc/32/03/92/1071320392.db2.gz MUKVVMYGKOMQAK-ZDUSSCGKSA-N 1 0 416.482 -0.742 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CCn3cc(S(N)(=O)=O)cn3)cn2)CC1 ZINC000523175813 1071327461 /nfs/dbraw/zinc/32/74/61/1071327461.db2.gz QFSHXQWVDZBAAE-UHFFFAOYSA-N 1 0 421.527 -0.226 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000523207951 1071329070 /nfs/dbraw/zinc/32/90/70/1071329070.db2.gz FOHSPBDGSMYKEQ-INIZCTEOSA-N 1 0 417.576 -0.006 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000523207952 1071329243 /nfs/dbraw/zinc/32/92/43/1071329243.db2.gz FOHSPBDGSMYKEQ-MRXNPFEDSA-N 1 0 417.576 -0.006 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000523209195 1071330118 /nfs/dbraw/zinc/33/01/18/1071330118.db2.gz AIDVLLHDBKFPHM-AWEZNQCLSA-N 1 0 405.565 -0.054 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000523209196 1071329960 /nfs/dbraw/zinc/32/99/60/1071329960.db2.gz AIDVLLHDBKFPHM-CQSZACIVSA-N 1 0 405.565 -0.054 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000523209209 1071329832 /nfs/dbraw/zinc/32/98/32/1071329832.db2.gz ASYNYCSADQYDBR-CVEARBPZSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000523209210 1071329876 /nfs/dbraw/zinc/32/98/76/1071329876.db2.gz ASYNYCSADQYDBR-HOTGVXAUSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000523209211 1071330179 /nfs/dbraw/zinc/33/01/79/1071330179.db2.gz ASYNYCSADQYDBR-HZPDHXFCSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000523209212 1071330079 /nfs/dbraw/zinc/33/00/79/1071330079.db2.gz ASYNYCSADQYDBR-JKSUJKDBSA-N 1 0 417.576 -0.100 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000523236126 1071334947 /nfs/dbraw/zinc/33/49/47/1071334947.db2.gz BZWFDJGIONZWKZ-INIZCTEOSA-N 1 0 403.483 -0.288 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000523236127 1071334782 /nfs/dbraw/zinc/33/47/82/1071334782.db2.gz BZWFDJGIONZWKZ-MRXNPFEDSA-N 1 0 403.483 -0.288 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000523237352 1071335555 /nfs/dbraw/zinc/33/55/55/1071335555.db2.gz BWOKDFKGEVNETI-INIZCTEOSA-N 1 0 414.470 -0.340 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000523237353 1071335316 /nfs/dbraw/zinc/33/53/16/1071335316.db2.gz BWOKDFKGEVNETI-MRXNPFEDSA-N 1 0 414.470 -0.340 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523241769 1071333828 /nfs/dbraw/zinc/33/38/28/1071333828.db2.gz KBKZZOQFZJUGRM-CABCVRRESA-N 1 0 404.533 -0.209 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523241770 1071333883 /nfs/dbraw/zinc/33/38/83/1071333883.db2.gz KBKZZOQFZJUGRM-GJZGRUSLSA-N 1 0 404.533 -0.209 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523241771 1071333649 /nfs/dbraw/zinc/33/36/49/1071333649.db2.gz KBKZZOQFZJUGRM-HUUCEWRRSA-N 1 0 404.533 -0.209 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523241772 1071333499 /nfs/dbraw/zinc/33/34/99/1071333499.db2.gz KBKZZOQFZJUGRM-LSDHHAIUSA-N 1 0 404.533 -0.209 20 0 HBADRO C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000523249273 1071336253 /nfs/dbraw/zinc/33/62/53/1071336253.db2.gz HPGACPHQIGWFBV-AWEZNQCLSA-N 1 0 419.482 -0.069 20 0 HBADRO C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000523249274 1071336173 /nfs/dbraw/zinc/33/61/73/1071336173.db2.gz HPGACPHQIGWFBV-CQSZACIVSA-N 1 0 419.482 -0.069 20 0 HBADRO COCCOCC(=O)NC1CCC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000523319423 1071343632 /nfs/dbraw/zinc/34/36/32/1071343632.db2.gz BVHDHOATTVPKMP-UHFFFAOYSA-N 1 0 412.531 -0.443 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1C ZINC000523381482 1071352109 /nfs/dbraw/zinc/35/21/09/1071352109.db2.gz NGZPABAVBUHHOD-UHFFFAOYSA-N 1 0 421.527 -0.530 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523427769 1071354333 /nfs/dbraw/zinc/35/43/33/1071354333.db2.gz QMUSWBCOPBDWFJ-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000523443625 1071356452 /nfs/dbraw/zinc/35/64/52/1071356452.db2.gz ZRUGUMPKOZORMT-GDBMZVCRSA-N 1 0 404.515 -0.026 20 0 HBADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000523443626 1071356292 /nfs/dbraw/zinc/35/62/92/1071356292.db2.gz ZRUGUMPKOZORMT-GOEBONIOSA-N 1 0 404.515 -0.026 20 0 HBADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000523443627 1071356492 /nfs/dbraw/zinc/35/64/92/1071356492.db2.gz ZRUGUMPKOZORMT-HOCLYGCPSA-N 1 0 404.515 -0.026 20 0 HBADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000523443628 1071356332 /nfs/dbraw/zinc/35/63/32/1071356332.db2.gz ZRUGUMPKOZORMT-ZBFHGGJFSA-N 1 0 404.515 -0.026 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000523467034 1071357091 /nfs/dbraw/zinc/35/70/91/1071357091.db2.gz HJGQCZMWBLKVBT-UHFFFAOYSA-N 1 0 400.501 -0.071 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCC1=O ZINC000523477504 1071358075 /nfs/dbraw/zinc/35/80/75/1071358075.db2.gz XRYAUWPGABNXLJ-CYBMUJFWSA-N 1 0 403.439 -0.168 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCC1=O ZINC000523477505 1071358183 /nfs/dbraw/zinc/35/81/83/1071358183.db2.gz XRYAUWPGABNXLJ-ZDUSSCGKSA-N 1 0 403.439 -0.168 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCCC[NH+]2CCN(C)CC2)cn1C ZINC000523507932 1071358868 /nfs/dbraw/zinc/35/88/68/1071358868.db2.gz IRDCFAVWAMYDGO-UHFFFAOYSA-N 1 0 400.549 -0.459 20 0 HBADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000523553160 1071360556 /nfs/dbraw/zinc/36/05/56/1071360556.db2.gz PKKTVPUGXPVPGM-IBGZPJMESA-N 1 0 407.559 -0.593 20 0 HBADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000523553161 1071360757 /nfs/dbraw/zinc/36/07/57/1071360757.db2.gz PKKTVPUGXPVPGM-LJQANCHMSA-N 1 0 407.559 -0.593 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000523577463 1071362136 /nfs/dbraw/zinc/36/21/36/1071362136.db2.gz MILZPDFQGZGQEF-AWEZNQCLSA-N 1 0 412.516 -0.922 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000523577464 1071362086 /nfs/dbraw/zinc/36/20/86/1071362086.db2.gz MILZPDFQGZGQEF-CQSZACIVSA-N 1 0 412.516 -0.922 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000523579250 1071361837 /nfs/dbraw/zinc/36/18/37/1071361837.db2.gz IKKIAHWPKXGAHB-INIZCTEOSA-N 1 0 410.544 -0.589 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000523579251 1071362010 /nfs/dbraw/zinc/36/20/10/1071362010.db2.gz IKKIAHWPKXGAHB-MRXNPFEDSA-N 1 0 410.544 -0.589 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000523579614 1071361782 /nfs/dbraw/zinc/36/17/82/1071361782.db2.gz WQXJEGRFIBMZFL-INIZCTEOSA-N 1 0 403.549 -0.235 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000523579615 1071361871 /nfs/dbraw/zinc/36/18/71/1071361871.db2.gz WQXJEGRFIBMZFL-MRXNPFEDSA-N 1 0 403.549 -0.235 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000523600810 1071363872 /nfs/dbraw/zinc/36/38/72/1071363872.db2.gz FTYWVMLUPSVKDU-KRWDZBQOSA-N 1 0 419.592 -0.200 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000523600811 1071364233 /nfs/dbraw/zinc/36/42/33/1071364233.db2.gz FTYWVMLUPSVKDU-QGZVFWFLSA-N 1 0 419.592 -0.200 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523626354 1071364108 /nfs/dbraw/zinc/36/41/08/1071364108.db2.gz ARCDKDCYCZHCKV-INIZCTEOSA-N 1 0 424.546 -0.693 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523626355 1071364258 /nfs/dbraw/zinc/36/42/58/1071364258.db2.gz ARCDKDCYCZHCKV-MRXNPFEDSA-N 1 0 424.546 -0.693 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523628211 1071364352 /nfs/dbraw/zinc/36/43/52/1071364352.db2.gz XUQFVFNYSNBPLF-HNNXBMFYSA-N 1 0 405.565 -0.100 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523628212 1071364183 /nfs/dbraw/zinc/36/41/83/1071364183.db2.gz XUQFVFNYSNBPLF-OAHLLOKOSA-N 1 0 405.565 -0.100 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000523629066 1071364875 /nfs/dbraw/zinc/36/48/75/1071364875.db2.gz KIORYTYPJRPUAB-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000523629067 1071365150 /nfs/dbraw/zinc/36/51/50/1071365150.db2.gz KIORYTYPJRPUAB-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000523630703 1071365113 /nfs/dbraw/zinc/36/51/13/1071365113.db2.gz YRSSPGDDINJBRG-GOSISDBHSA-N 1 0 422.574 -0.121 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000523630704 1071365062 /nfs/dbraw/zinc/36/50/62/1071365062.db2.gz YRSSPGDDINJBRG-SFHVURJKSA-N 1 0 422.574 -0.121 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523649619 1071367157 /nfs/dbraw/zinc/36/71/57/1071367157.db2.gz YGAAGBZAFBIXFX-UHFFFAOYSA-N 1 0 416.526 -0.136 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000523653864 1071369403 /nfs/dbraw/zinc/36/94/03/1071369403.db2.gz AIEWJBAXIDEVPJ-BBWFWOEESA-N 1 0 404.577 -0.042 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000523653865 1071369069 /nfs/dbraw/zinc/36/90/69/1071369069.db2.gz AIEWJBAXIDEVPJ-BRWVUGGUSA-N 1 0 404.577 -0.042 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000523653866 1071369259 /nfs/dbraw/zinc/36/92/59/1071369259.db2.gz AIEWJBAXIDEVPJ-IXDOHACOSA-N 1 0 404.577 -0.042 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000523653867 1071369528 /nfs/dbraw/zinc/36/95/28/1071369528.db2.gz AIEWJBAXIDEVPJ-ZACQAIPSSA-N 1 0 404.577 -0.042 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cn1C ZINC000523663303 1071370952 /nfs/dbraw/zinc/37/09/52/1071370952.db2.gz FZURDYNBVMLYPQ-UHFFFAOYSA-N 1 0 414.576 -0.119 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000523663640 1071371148 /nfs/dbraw/zinc/37/11/48/1071371148.db2.gz DYDTWVILIYXFBG-HNNXBMFYSA-N 1 0 414.576 -0.213 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000523663643 1071370918 /nfs/dbraw/zinc/37/09/18/1071370918.db2.gz DYDTWVILIYXFBG-OAHLLOKOSA-N 1 0 414.576 -0.213 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1=O ZINC000523664273 1071371074 /nfs/dbraw/zinc/37/10/74/1071371074.db2.gz UGUJHRWBRVBGKE-AEFFLSMTSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1=O ZINC000523664274 1071371021 /nfs/dbraw/zinc/37/10/21/1071371021.db2.gz UGUJHRWBRVBGKE-FUHWJXTLSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1=O ZINC000523664275 1071371374 /nfs/dbraw/zinc/37/13/74/1071371374.db2.gz UGUJHRWBRVBGKE-SJLPKXTDSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1=O ZINC000523664276 1071371297 /nfs/dbraw/zinc/37/12/97/1071371297.db2.gz UGUJHRWBRVBGKE-WMZOPIPTSA-N 1 0 407.559 -0.012 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000523666346 1071371837 /nfs/dbraw/zinc/37/18/37/1071371837.db2.gz XYJXXAYIVDNJEX-UHFFFAOYSA-N 1 0 406.487 -0.225 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000523675155 1071373350 /nfs/dbraw/zinc/37/33/50/1071373350.db2.gz DYEYSNWDVIRUEX-HNNXBMFYSA-N 1 0 408.480 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000523675156 1071373161 /nfs/dbraw/zinc/37/31/61/1071373161.db2.gz DYEYSNWDVIRUEX-OAHLLOKOSA-N 1 0 408.480 -0.055 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000523699399 1071376222 /nfs/dbraw/zinc/37/62/22/1071376222.db2.gz AOEPHVFKBSNOMJ-UHFFFAOYSA-N 1 0 400.549 -0.459 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000523703963 1071378489 /nfs/dbraw/zinc/37/84/89/1071378489.db2.gz BYOUOKUXFGOIRB-UHFFFAOYSA-N 1 0 400.549 -0.459 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1C ZINC000523704179 1071377665 /nfs/dbraw/zinc/37/76/65/1071377665.db2.gz YOBXYDPBADRSNJ-UHFFFAOYSA-N 1 0 413.544 -0.032 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000523708324 1071375109 /nfs/dbraw/zinc/37/51/09/1071375109.db2.gz XICSDGKMELYZDY-BZUAXINKSA-N 1 0 415.560 -0.096 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000523708325 1071375271 /nfs/dbraw/zinc/37/52/71/1071375271.db2.gz XICSDGKMELYZDY-OAGGEKHMSA-N 1 0 415.560 -0.096 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000523708326 1071375196 /nfs/dbraw/zinc/37/51/96/1071375196.db2.gz XICSDGKMELYZDY-OWCLPIDISA-N 1 0 415.560 -0.096 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000523708327 1071374918 /nfs/dbraw/zinc/37/49/18/1071374918.db2.gz XICSDGKMELYZDY-XHSDSOJGSA-N 1 0 415.560 -0.096 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c(=O)n2C ZINC000523747758 1071383733 /nfs/dbraw/zinc/38/37/33/1071383733.db2.gz BYKDMZZMTSVVPP-UHFFFAOYSA-N 1 0 422.486 -0.834 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)nc2n(C)c1=O ZINC000523748807 1071388643 /nfs/dbraw/zinc/38/86/43/1071388643.db2.gz HOIAASPCKKABQF-UHFFFAOYSA-N 1 0 419.482 -0.022 20 0 HBADRO COCCN(C(=O)CN1CCC([N@H+](C)CCCO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000523791332 1071394217 /nfs/dbraw/zinc/39/42/17/1071394217.db2.gz WXNLFAPJLKQQNC-KRWDZBQOSA-N 1 0 405.561 -0.573 20 0 HBADRO COCCN(C(=O)CN1CCC([N@H+](C)CCCO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000523791333 1071394393 /nfs/dbraw/zinc/39/43/93/1071394393.db2.gz WXNLFAPJLKQQNC-QGZVFWFLSA-N 1 0 405.561 -0.573 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000523804768 1071394774 /nfs/dbraw/zinc/39/47/74/1071394774.db2.gz BUBDTDCDYMIGIL-GOSISDBHSA-N 1 0 418.494 -0.168 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000523804769 1071395023 /nfs/dbraw/zinc/39/50/23/1071395023.db2.gz BUBDTDCDYMIGIL-SFHVURJKSA-N 1 0 418.494 -0.168 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3cc(S(N)(=O)=O)cn3)cn2)CC1 ZINC000523843673 1071396049 /nfs/dbraw/zinc/39/60/49/1071396049.db2.gz DTHYOVCWFOUSNH-UHFFFAOYSA-N 1 0 407.500 -0.616 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000523868800 1071397188 /nfs/dbraw/zinc/39/71/88/1071397188.db2.gz UNABGDCQEAKXJB-AWEZNQCLSA-N 1 0 406.487 -0.967 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000523868801 1071397536 /nfs/dbraw/zinc/39/75/36/1071397536.db2.gz UNABGDCQEAKXJB-CQSZACIVSA-N 1 0 406.487 -0.967 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000523869488 1071397803 /nfs/dbraw/zinc/39/78/03/1071397803.db2.gz GRZFOCLMMHNESD-ARFHVFGLSA-N 1 0 401.529 -0.769 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000523869489 1071397637 /nfs/dbraw/zinc/39/76/37/1071397637.db2.gz GRZFOCLMMHNESD-BZUAXINKSA-N 1 0 401.529 -0.769 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000523869490 1071397569 /nfs/dbraw/zinc/39/75/69/1071397569.db2.gz GRZFOCLMMHNESD-HRCADAONSA-N 1 0 401.529 -0.769 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000523869491 1071397838 /nfs/dbraw/zinc/39/78/38/1071397838.db2.gz GRZFOCLMMHNESD-OWCLPIDISA-N 1 0 401.529 -0.769 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000523869626 1071397589 /nfs/dbraw/zinc/39/75/89/1071397589.db2.gz POJLMUPTXSXCLC-HNNXBMFYSA-N 1 0 414.528 -0.142 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000523869627 1071397754 /nfs/dbraw/zinc/39/77/54/1071397754.db2.gz POJLMUPTXSXCLC-OAHLLOKOSA-N 1 0 414.528 -0.142 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cn1C ZINC000523871009 1071397465 /nfs/dbraw/zinc/39/74/65/1071397465.db2.gz ODGBJFUKSWANTR-HNNXBMFYSA-N 1 0 401.533 -0.394 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cn1C ZINC000523871010 1071397496 /nfs/dbraw/zinc/39/74/96/1071397496.db2.gz ODGBJFUKSWANTR-OAHLLOKOSA-N 1 0 401.533 -0.394 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000523871018 1071397774 /nfs/dbraw/zinc/39/77/74/1071397774.db2.gz OOKGRJQQSTZIMZ-AWEZNQCLSA-N 1 0 420.495 -0.080 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000523871019 1071397605 /nfs/dbraw/zinc/39/76/05/1071397605.db2.gz OOKGRJQQSTZIMZ-CQSZACIVSA-N 1 0 420.495 -0.080 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000523914968 1071399190 /nfs/dbraw/zinc/39/91/90/1071399190.db2.gz SQCWXVGEZWAANW-INIZCTEOSA-N 1 0 422.530 -0.939 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000523914969 1071399740 /nfs/dbraw/zinc/39/97/40/1071399740.db2.gz SQCWXVGEZWAANW-MRXNPFEDSA-N 1 0 422.530 -0.939 20 0 HBADRO CCN(CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)S(C)(=O)=O ZINC000523915341 1071399920 /nfs/dbraw/zinc/39/99/20/1071399920.db2.gz AKFDLWPAZHQNCW-HNNXBMFYSA-N 1 0 405.565 -0.100 20 0 HBADRO CCN(CCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)S(C)(=O)=O ZINC000523915342 1071399693 /nfs/dbraw/zinc/39/96/93/1071399693.db2.gz AKFDLWPAZHQNCW-OAHLLOKOSA-N 1 0 405.565 -0.100 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000523918769 1071399980 /nfs/dbraw/zinc/39/99/80/1071399980.db2.gz QMQOVUILOLCAEC-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000523918770 1071400005 /nfs/dbraw/zinc/40/00/05/1071400005.db2.gz QMQOVUILOLCAEC-GJZGRUSLSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000523918771 1071399596 /nfs/dbraw/zinc/39/95/96/1071399596.db2.gz QMQOVUILOLCAEC-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000523918772 1071399556 /nfs/dbraw/zinc/39/95/56/1071399556.db2.gz QMQOVUILOLCAEC-LSDHHAIUSA-N 1 0 403.549 -0.348 20 0 HBADRO CC[N@H+](CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000523918816 1071399865 /nfs/dbraw/zinc/39/98/65/1071399865.db2.gz SJQIPZNWBWIZPT-UHFFFAOYSA-N 1 0 402.565 -0.710 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000523965577 1071403971 /nfs/dbraw/zinc/40/39/71/1071403971.db2.gz HLZQYUXHEKWTHZ-INIZCTEOSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000523965578 1071403871 /nfs/dbraw/zinc/40/38/71/1071403871.db2.gz HLZQYUXHEKWTHZ-MRXNPFEDSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000523965881 1071403939 /nfs/dbraw/zinc/40/39/39/1071403939.db2.gz SOXFPSGUQVIJLU-HNNXBMFYSA-N 1 0 407.446 -0.078 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000523965882 1071404017 /nfs/dbraw/zinc/40/40/17/1071404017.db2.gz SOXFPSGUQVIJLU-OAHLLOKOSA-N 1 0 407.446 -0.078 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1Cl ZINC000523989036 1071406039 /nfs/dbraw/zinc/40/60/39/1071406039.db2.gz LCACCCGNSHDIEW-UHFFFAOYSA-N 1 0 411.846 -0.113 20 0 HBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)C1 ZINC000523998347 1071407581 /nfs/dbraw/zinc/40/75/81/1071407581.db2.gz HNCROQANNBOKHT-KRWDZBQOSA-N 1 0 419.530 -0.357 20 0 HBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)C1 ZINC000523998348 1071407658 /nfs/dbraw/zinc/40/76/58/1071407658.db2.gz HNCROQANNBOKHT-QGZVFWFLSA-N 1 0 419.530 -0.357 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000524016084 1071408587 /nfs/dbraw/zinc/40/85/87/1071408587.db2.gz AJQAGYPQWPEJFX-CVEARBPZSA-N 1 0 405.503 -0.233 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000524016085 1071408493 /nfs/dbraw/zinc/40/84/93/1071408493.db2.gz AJQAGYPQWPEJFX-HOTGVXAUSA-N 1 0 405.503 -0.233 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000524016086 1071408402 /nfs/dbraw/zinc/40/84/02/1071408402.db2.gz AJQAGYPQWPEJFX-HZPDHXFCSA-N 1 0 405.503 -0.233 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000524016087 1071408525 /nfs/dbraw/zinc/40/85/25/1071408525.db2.gz AJQAGYPQWPEJFX-JKSUJKDBSA-N 1 0 405.503 -0.233 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000524016635 1071407516 /nfs/dbraw/zinc/40/75/16/1071407516.db2.gz PTGSYSXWVRYUHF-GOSISDBHSA-N 1 0 419.530 -0.075 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000524016640 1071407724 /nfs/dbraw/zinc/40/77/24/1071407724.db2.gz PTGSYSXWVRYUHF-SFHVURJKSA-N 1 0 419.530 -0.075 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524026145 1071410250 /nfs/dbraw/zinc/41/02/50/1071410250.db2.gz AYUXJYTYMAODIF-UHFFFAOYSA-N 1 0 421.564 -0.705 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000524031564 1071410941 /nfs/dbraw/zinc/41/09/41/1071410941.db2.gz HAFVMLGJASKNDQ-CYBMUJFWSA-N 1 0 400.443 -0.696 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 ZINC000524031565 1071411131 /nfs/dbraw/zinc/41/11/31/1071411131.db2.gz HAFVMLGJASKNDQ-ZDUSSCGKSA-N 1 0 400.443 -0.696 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000524032210 1071411258 /nfs/dbraw/zinc/41/12/58/1071411258.db2.gz FMBPSCFVOMJIPP-INIZCTEOSA-N 1 0 413.482 -0.032 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000524032211 1071411044 /nfs/dbraw/zinc/41/10/44/1071411044.db2.gz FMBPSCFVOMJIPP-MRXNPFEDSA-N 1 0 413.482 -0.032 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000524034045 1071411113 /nfs/dbraw/zinc/41/11/13/1071411113.db2.gz FCSWBXNFXLHSJD-HNNXBMFYSA-N 1 0 404.467 -0.085 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000524034046 1071411239 /nfs/dbraw/zinc/41/12/39/1071411239.db2.gz FCSWBXNFXLHSJD-OAHLLOKOSA-N 1 0 404.467 -0.085 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000524034900 1071411221 /nfs/dbraw/zinc/41/12/21/1071411221.db2.gz CUVSYTUYMPOUEP-AWEZNQCLSA-N 1 0 402.499 -0.185 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000524034901 1071411074 /nfs/dbraw/zinc/41/10/74/1071411074.db2.gz CUVSYTUYMPOUEP-CQSZACIVSA-N 1 0 402.499 -0.185 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000524035102 1071411008 /nfs/dbraw/zinc/41/10/08/1071411008.db2.gz SYYYTKWLASDXTR-CRAIPNDOSA-N 1 0 418.494 -0.047 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000524035103 1071411269 /nfs/dbraw/zinc/41/12/69/1071411269.db2.gz SYYYTKWLASDXTR-MAUKXSAKSA-N 1 0 418.494 -0.047 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000524035104 1071411190 /nfs/dbraw/zinc/41/11/90/1071411190.db2.gz SYYYTKWLASDXTR-QAPCUYQASA-N 1 0 418.494 -0.047 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000524035105 1071411797 /nfs/dbraw/zinc/41/17/97/1071411797.db2.gz SYYYTKWLASDXTR-YJBOKZPZSA-N 1 0 418.494 -0.047 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524036519 1071411772 /nfs/dbraw/zinc/41/17/72/1071411772.db2.gz BDLMXGFXXUQJGS-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000524036948 1071411899 /nfs/dbraw/zinc/41/18/99/1071411899.db2.gz IZRISTJTANQPDI-HOTGVXAUSA-N 1 0 421.564 -0.754 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000524036949 1071411778 /nfs/dbraw/zinc/41/17/78/1071411778.db2.gz IZRISTJTANQPDI-HZPDHXFCSA-N 1 0 421.564 -0.754 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000524036950 1071411734 /nfs/dbraw/zinc/41/17/34/1071411734.db2.gz IZRISTJTANQPDI-IYBDPMFKSA-N 1 0 421.564 -0.754 20 0 HBADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000524107333 1071414904 /nfs/dbraw/zinc/41/49/04/1071414904.db2.gz ZNAAAGYITYSFKF-INIZCTEOSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000524107334 1071414865 /nfs/dbraw/zinc/41/48/65/1071414865.db2.gz ZNAAAGYITYSFKF-MRXNPFEDSA-N 1 0 419.482 -0.452 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000524109154 1071415716 /nfs/dbraw/zinc/41/57/16/1071415716.db2.gz NIGCMPBUHVFKNA-INIZCTEOSA-N 1 0 401.467 -0.027 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000524109155 1071415568 /nfs/dbraw/zinc/41/55/68/1071415568.db2.gz NIGCMPBUHVFKNA-MRXNPFEDSA-N 1 0 401.467 -0.027 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000524132615 1071418748 /nfs/dbraw/zinc/41/87/48/1071418748.db2.gz KCVFVOBSGORCRO-INIZCTEOSA-N 1 0 424.523 -0.129 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000524132616 1071418794 /nfs/dbraw/zinc/41/87/94/1071418794.db2.gz KCVFVOBSGORCRO-MRXNPFEDSA-N 1 0 424.523 -0.129 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000524133984 1071418711 /nfs/dbraw/zinc/41/87/11/1071418711.db2.gz FOUUVXLGWBVVOP-HNNXBMFYSA-N 1 0 416.482 -0.695 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000524133985 1071419696 /nfs/dbraw/zinc/41/96/96/1071419696.db2.gz FOUUVXLGWBVVOP-OAHLLOKOSA-N 1 0 416.482 -0.695 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524135900 1071418025 /nfs/dbraw/zinc/41/80/25/1071418025.db2.gz WGQHORFDAVRUNS-INIZCTEOSA-N 1 0 405.503 -0.465 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524135901 1071417931 /nfs/dbraw/zinc/41/79/31/1071417931.db2.gz WGQHORFDAVRUNS-MRXNPFEDSA-N 1 0 405.503 -0.465 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000524136988 1071417855 /nfs/dbraw/zinc/41/78/55/1071417855.db2.gz XCTKXESPVKABSU-INIZCTEOSA-N 1 0 414.528 -0.181 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000524136989 1071417954 /nfs/dbraw/zinc/41/79/54/1071417954.db2.gz XCTKXESPVKABSU-MRXNPFEDSA-N 1 0 414.528 -0.181 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000524189624 1071421233 /nfs/dbraw/zinc/42/12/33/1071421233.db2.gz ZEASRALCYGVCRN-IBGZPJMESA-N 1 0 408.591 -0.679 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000524189625 1071421011 /nfs/dbraw/zinc/42/10/11/1071421011.db2.gz ZEASRALCYGVCRN-LJQANCHMSA-N 1 0 408.591 -0.679 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1Cl ZINC000524203820 1071421029 /nfs/dbraw/zinc/42/10/29/1071421029.db2.gz PYFKOZOUYKNQLS-UHFFFAOYSA-N 1 0 406.892 -0.116 20 0 HBADRO COCC[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000524212823 1071422649 /nfs/dbraw/zinc/42/26/49/1071422649.db2.gz PBAFKGVEZNCKCP-UHFFFAOYSA-N 1 0 419.530 -0.075 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000524266971 1071425369 /nfs/dbraw/zinc/42/53/69/1071425369.db2.gz OIQHBUARXBUJSA-INIZCTEOSA-N 1 0 419.555 -0.171 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000524266972 1071425462 /nfs/dbraw/zinc/42/54/62/1071425462.db2.gz OIQHBUARXBUJSA-MRXNPFEDSA-N 1 0 419.555 -0.171 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000524275432 1071427699 /nfs/dbraw/zinc/42/76/99/1071427699.db2.gz BUEUQZWBZBJCSH-UHFFFAOYSA-N 1 0 401.533 -0.176 20 0 HBADRO COCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000524275958 1071426920 /nfs/dbraw/zinc/42/69/20/1071426920.db2.gz GMRIHDILXDVUDZ-UHFFFAOYSA-N 1 0 401.485 -0.179 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000524294824 1071692357 /nfs/dbraw/zinc/69/23/57/1071692357.db2.gz AUMMTMQFXAUFHH-CYBMUJFWSA-N 1 0 408.480 -0.198 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000524294825 1071428366 /nfs/dbraw/zinc/42/83/66/1071428366.db2.gz AUMMTMQFXAUFHH-ZDUSSCGKSA-N 1 0 408.480 -0.198 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1=O ZINC000524301088 1071429764 /nfs/dbraw/zinc/42/97/64/1071429764.db2.gz CCWBKAUDCMORBR-MSOLQXFVSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1=O ZINC000524301089 1071429557 /nfs/dbraw/zinc/42/95/57/1071429557.db2.gz CCWBKAUDCMORBR-QZTJIDSGSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1=O ZINC000524301090 1071429575 /nfs/dbraw/zinc/42/95/75/1071429575.db2.gz CCWBKAUDCMORBR-ROUUACIJSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1=O ZINC000524301091 1071429733 /nfs/dbraw/zinc/42/97/33/1071429733.db2.gz CCWBKAUDCMORBR-ZWKOTPCHSA-N 1 0 407.559 -0.012 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)ccn2)CC1 ZINC000524341601 1071432586 /nfs/dbraw/zinc/43/25/86/1071432586.db2.gz OARCWZPIMZJZPM-UHFFFAOYSA-N 1 0 410.478 -0.022 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000524364207 1071434767 /nfs/dbraw/zinc/43/47/67/1071434767.db2.gz JLPAGKZRANXSDY-UHFFFAOYSA-N 1 0 400.476 -0.274 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000524366041 1071434754 /nfs/dbraw/zinc/43/47/54/1071434754.db2.gz LBVCCCMAFMSMQP-KRWDZBQOSA-N 1 0 404.467 -0.435 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000524366042 1071434670 /nfs/dbraw/zinc/43/46/70/1071434670.db2.gz LBVCCCMAFMSMQP-QGZVFWFLSA-N 1 0 404.467 -0.435 20 0 HBADRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000524366697 1071434640 /nfs/dbraw/zinc/43/46/40/1071434640.db2.gz PQLWWJBACDLNJR-FQEVSTJZSA-N 1 0 421.586 -0.060 20 0 HBADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000524366698 1071434692 /nfs/dbraw/zinc/43/46/92/1071434692.db2.gz PQLWWJBACDLNJR-HXUWFJFHSA-N 1 0 421.586 -0.060 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000524376828 1071435959 /nfs/dbraw/zinc/43/59/59/1071435959.db2.gz KAGUKEOSEROHCA-UHFFFAOYSA-N 1 0 402.455 -0.487 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000524396386 1071436753 /nfs/dbraw/zinc/43/67/53/1071436753.db2.gz IBZIASPUIGDMNB-UHFFFAOYSA-N 1 0 404.450 -0.198 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000524408230 1071437295 /nfs/dbraw/zinc/43/72/95/1071437295.db2.gz NPJFPPPHXDZJOZ-CYBMUJFWSA-N 1 0 418.541 -0.540 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000524408231 1071437448 /nfs/dbraw/zinc/43/74/48/1071437448.db2.gz NPJFPPPHXDZJOZ-ZDUSSCGKSA-N 1 0 418.541 -0.540 20 0 HBADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C)CC1 ZINC000524418182 1071438453 /nfs/dbraw/zinc/43/84/53/1071438453.db2.gz MVMTTWHFQDIWQE-HNNXBMFYSA-N 1 0 423.539 -0.827 20 0 HBADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C)CC1 ZINC000524418183 1071438253 /nfs/dbraw/zinc/43/82/53/1071438253.db2.gz MVMTTWHFQDIWQE-OAHLLOKOSA-N 1 0 423.539 -0.827 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000524419230 1071438398 /nfs/dbraw/zinc/43/83/98/1071438398.db2.gz SMNBQQABJJAOHL-UHFFFAOYSA-N 1 0 404.515 -0.421 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000524419781 1071438198 /nfs/dbraw/zinc/43/81/98/1071438198.db2.gz QGBXLUAYMSWZQF-IBGZPJMESA-N 1 0 409.575 -0.299 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000524419782 1071438311 /nfs/dbraw/zinc/43/83/11/1071438311.db2.gz QGBXLUAYMSWZQF-LJQANCHMSA-N 1 0 409.575 -0.299 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000524419925 1071438157 /nfs/dbraw/zinc/43/81/57/1071438157.db2.gz HMJURAIQXJHAFI-JTQLQIEISA-N 1 0 416.276 -0.585 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000524419926 1071438236 /nfs/dbraw/zinc/43/82/36/1071438236.db2.gz HMJURAIQXJHAFI-SNVBAGLBSA-N 1 0 416.276 -0.585 20 0 HBADRO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000524429850 1071440366 /nfs/dbraw/zinc/44/03/66/1071440366.db2.gz WWOWVHDWWOUPNN-UHFFFAOYSA-N 1 0 406.531 -0.034 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000524464250 1071441917 /nfs/dbraw/zinc/44/19/17/1071441917.db2.gz HQNLFNLWXDTVBJ-MSOLQXFVSA-N 1 0 412.579 -0.509 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000524464251 1071442726 /nfs/dbraw/zinc/44/27/26/1071442726.db2.gz HQNLFNLWXDTVBJ-QZTJIDSGSA-N 1 0 412.579 -0.509 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000524464252 1071442654 /nfs/dbraw/zinc/44/26/54/1071442654.db2.gz HQNLFNLWXDTVBJ-ROUUACIJSA-N 1 0 412.579 -0.509 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000524464253 1071442800 /nfs/dbraw/zinc/44/28/00/1071442800.db2.gz HQNLFNLWXDTVBJ-ZWKOTPCHSA-N 1 0 412.579 -0.509 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000524467844 1071443409 /nfs/dbraw/zinc/44/34/09/1071443409.db2.gz UIAGGHYTZJEXPH-GFCCVEGCSA-N 1 0 411.484 -0.369 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000524467845 1071443328 /nfs/dbraw/zinc/44/33/28/1071443328.db2.gz UIAGGHYTZJEXPH-LBPRGKRZSA-N 1 0 411.484 -0.369 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc(C3CC3)nc21 ZINC000524498949 1071447225 /nfs/dbraw/zinc/44/72/25/1071447225.db2.gz JJLHYTWMPZWMTB-UHFFFAOYSA-N 1 0 414.466 -0.243 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 ZINC000524499204 1071446995 /nfs/dbraw/zinc/44/69/95/1071446995.db2.gz QHVOKVCSGUVSOI-UHFFFAOYSA-N 1 0 400.439 -0.322 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000524558118 1071451465 /nfs/dbraw/zinc/45/14/65/1071451465.db2.gz GPWRHXKPDLHTNK-IBGZPJMESA-N 1 0 417.510 -0.264 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000524558122 1071451506 /nfs/dbraw/zinc/45/15/06/1071451506.db2.gz GPWRHXKPDLHTNK-LJQANCHMSA-N 1 0 417.510 -0.264 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000524582227 1071454301 /nfs/dbraw/zinc/45/43/01/1071454301.db2.gz GWALZOZYAJPLAJ-CYBMUJFWSA-N 1 0 401.467 -0.137 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000524582231 1071454338 /nfs/dbraw/zinc/45/43/38/1071454338.db2.gz GWALZOZYAJPLAJ-ZDUSSCGKSA-N 1 0 401.467 -0.137 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000524583914 1071452357 /nfs/dbraw/zinc/45/23/57/1071452357.db2.gz IOTDZUBNIICECE-UHFFFAOYSA-N 1 0 418.498 -0.798 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000524590697 1071455193 /nfs/dbraw/zinc/45/51/93/1071455193.db2.gz MOJVYUYRPJXUAX-HNNXBMFYSA-N 1 0 407.519 -0.342 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000524590699 1071455230 /nfs/dbraw/zinc/45/52/30/1071455230.db2.gz MOJVYUYRPJXUAX-OAHLLOKOSA-N 1 0 407.519 -0.342 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cn1C ZINC000524613677 1071458430 /nfs/dbraw/zinc/45/84/30/1071458430.db2.gz ATNSNLJHCRJGJG-UHFFFAOYSA-N 1 0 408.484 -0.194 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000524620254 1071458265 /nfs/dbraw/zinc/45/82/65/1071458265.db2.gz DVOCIEHTDVJKOR-HNNXBMFYSA-N 1 0 408.590 -0.243 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000524620255 1071458509 /nfs/dbraw/zinc/45/85/09/1071458509.db2.gz DVOCIEHTDVJKOR-OAHLLOKOSA-N 1 0 408.590 -0.243 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000524633492 1071460415 /nfs/dbraw/zinc/46/04/15/1071460415.db2.gz ODGGBYBFSGIMGG-UHFFFAOYSA-N 1 0 408.547 -0.511 20 0 HBADRO CN1CCN(c2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)ccn2)CC1 ZINC000524651202 1071463228 /nfs/dbraw/zinc/46/32/28/1071463228.db2.gz LPSAGAXUDUWTHK-UHFFFAOYSA-N 1 0 414.514 -0.040 20 0 HBADRO Cn1nc(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c2ccccc2c1=O ZINC000524651364 1071463388 /nfs/dbraw/zinc/46/33/88/1071463388.db2.gz OWXBPIWIOQHUPH-UHFFFAOYSA-N 1 0 411.466 -0.011 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)o1 ZINC000524652148 1071463317 /nfs/dbraw/zinc/46/33/17/1071463317.db2.gz HDQJIKIUBLCXRX-UHFFFAOYSA-N 1 0 412.472 -0.344 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000524652739 1071464000 /nfs/dbraw/zinc/46/40/00/1071464000.db2.gz CTCUCWZMKXAHLD-UHFFFAOYSA-N 1 0 408.484 -0.611 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000524682921 1071464112 /nfs/dbraw/zinc/46/41/12/1071464112.db2.gz YVDRMDHNHVGTEA-UHFFFAOYSA-N 1 0 411.528 -0.239 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000524696114 1071468599 /nfs/dbraw/zinc/46/85/99/1071468599.db2.gz UOXAGLXAWHLZBQ-AWEZNQCLSA-N 1 0 416.569 -0.327 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000524696115 1071468524 /nfs/dbraw/zinc/46/85/24/1071468524.db2.gz UOXAGLXAWHLZBQ-CQSZACIVSA-N 1 0 416.569 -0.327 20 0 HBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000524713819 1071470205 /nfs/dbraw/zinc/47/02/05/1071470205.db2.gz LWIHZADMQJFWSK-GOSISDBHSA-N 1 0 422.551 -0.191 20 0 HBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000524713820 1071470352 /nfs/dbraw/zinc/47/03/52/1071470352.db2.gz LWIHZADMQJFWSK-SFHVURJKSA-N 1 0 422.551 -0.191 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000524718517 1071470221 /nfs/dbraw/zinc/47/02/21/1071470221.db2.gz YIKFEDHXNHWXKS-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cn1C ZINC000524744558 1071472723 /nfs/dbraw/zinc/47/27/23/1071472723.db2.gz UGGSZXSJGALBKT-INIZCTEOSA-N 1 0 414.576 -0.215 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cn1C ZINC000524744559 1071472556 /nfs/dbraw/zinc/47/25/56/1071472556.db2.gz UGGSZXSJGALBKT-MRXNPFEDSA-N 1 0 414.576 -0.215 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750876 1071472007 /nfs/dbraw/zinc/47/20/07/1071472007.db2.gz CCMNLDUAFITMNK-KRWDZBQOSA-N 1 0 403.593 -0.516 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750877 1071472122 /nfs/dbraw/zinc/47/21/22/1071472122.db2.gz CCMNLDUAFITMNK-QGZVFWFLSA-N 1 0 403.593 -0.516 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1 ZINC000524764240 1071474244 /nfs/dbraw/zinc/47/42/44/1071474244.db2.gz QSSQWKBCJVSRKQ-INIZCTEOSA-N 1 0 413.482 -0.032 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1 ZINC000524764241 1071474415 /nfs/dbraw/zinc/47/44/15/1071474415.db2.gz QSSQWKBCJVSRKQ-MRXNPFEDSA-N 1 0 413.482 -0.032 20 0 HBADRO Cn1c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000524772527 1071474393 /nfs/dbraw/zinc/47/43/93/1071474393.db2.gz XJVKAEKBIILXAF-UHFFFAOYSA-N 1 0 412.450 -0.012 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000524786052 1071475301 /nfs/dbraw/zinc/47/53/01/1071475301.db2.gz YVTLVAOOPKHBCS-KRWDZBQOSA-N 1 0 408.547 -0.477 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000524786053 1071475153 /nfs/dbraw/zinc/47/51/53/1071475153.db2.gz YVTLVAOOPKHBCS-QGZVFWFLSA-N 1 0 408.547 -0.477 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)ccc1C ZINC000524803821 1071477056 /nfs/dbraw/zinc/47/70/56/1071477056.db2.gz ILUMOEDFCLGOPF-UHFFFAOYSA-N 1 0 412.512 -0.195 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cccc1-n1cnnn1 ZINC000524803845 1071477830 /nfs/dbraw/zinc/47/78/30/1071477830.db2.gz JFNILQASPOACNV-AWEZNQCLSA-N 1 0 400.487 -0.091 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cccc1-n1cnnn1 ZINC000524803846 1071477889 /nfs/dbraw/zinc/47/78/89/1071477889.db2.gz JFNILQASPOACNV-CQSZACIVSA-N 1 0 400.487 -0.091 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C[NH+]1CCN(C)CC1 ZINC000524807971 1071477969 /nfs/dbraw/zinc/47/79/69/1071477969.db2.gz ZKJQIRKOQOPMAN-CYBMUJFWSA-N 1 0 401.467 -0.149 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C[NH+]1CCN(C)CC1 ZINC000524807972 1071477930 /nfs/dbraw/zinc/47/79/30/1071477930.db2.gz ZKJQIRKOQOPMAN-ZDUSSCGKSA-N 1 0 401.467 -0.149 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000524809254 1071477795 /nfs/dbraw/zinc/47/77/95/1071477795.db2.gz HIMRYKJOFDIFNW-AWEZNQCLSA-N 1 0 401.467 -0.216 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000524809255 1071477925 /nfs/dbraw/zinc/47/79/25/1071477925.db2.gz HIMRYKJOFDIFNW-CQSZACIVSA-N 1 0 401.467 -0.216 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000524811364 1071477861 /nfs/dbraw/zinc/47/78/61/1071477861.db2.gz GUMCZBCSLPJXAT-DZGCQCFKSA-N 1 0 411.484 -0.631 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000524811368 1071477956 /nfs/dbraw/zinc/47/79/56/1071477956.db2.gz GUMCZBCSLPJXAT-HIFRSBDPSA-N 1 0 411.484 -0.631 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000524811370 1071478611 /nfs/dbraw/zinc/47/86/11/1071478611.db2.gz GUMCZBCSLPJXAT-UKRRQHHQSA-N 1 0 411.484 -0.631 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000524811372 1071478663 /nfs/dbraw/zinc/47/86/63/1071478663.db2.gz GUMCZBCSLPJXAT-ZFWWWQNUSA-N 1 0 411.484 -0.631 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000524856391 1071480418 /nfs/dbraw/zinc/48/04/18/1071480418.db2.gz LDGAPCYOFWODTB-HNNXBMFYSA-N 1 0 402.451 -0.190 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000524856392 1071480328 /nfs/dbraw/zinc/48/03/28/1071480328.db2.gz LDGAPCYOFWODTB-OAHLLOKOSA-N 1 0 402.451 -0.190 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000524872786 1071483435 /nfs/dbraw/zinc/48/34/35/1071483435.db2.gz PDLQUSQNHJUMTF-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000524890879 1071484109 /nfs/dbraw/zinc/48/41/09/1071484109.db2.gz RPNHOMKSENKECZ-CABCVRRESA-N 1 0 402.517 -0.503 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000524890880 1071484064 /nfs/dbraw/zinc/48/40/64/1071484064.db2.gz RPNHOMKSENKECZ-GJZGRUSLSA-N 1 0 402.517 -0.503 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000524890881 1071484163 /nfs/dbraw/zinc/48/41/63/1071484163.db2.gz RPNHOMKSENKECZ-HUUCEWRRSA-N 1 0 402.517 -0.503 20 0 HBADRO C[C@@](CO)([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000524893445 1071484151 /nfs/dbraw/zinc/48/41/51/1071484151.db2.gz SIPNNLHJDDIFHK-NRFANRHFSA-N 1 0 410.559 -0.090 20 0 HBADRO C[C@](CO)([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000524893446 1071484220 /nfs/dbraw/zinc/48/42/20/1071484220.db2.gz SIPNNLHJDDIFHK-OAQYLSRUSA-N 1 0 410.559 -0.090 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000524914375 1071485710 /nfs/dbraw/zinc/48/57/10/1071485710.db2.gz BOVXCBBROATDJG-UHFFFAOYSA-N 1 0 424.523 -0.053 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000524917032 1071485577 /nfs/dbraw/zinc/48/55/77/1071485577.db2.gz XULZFDRLCPZYLU-UHFFFAOYSA-N 1 0 401.533 -0.303 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000524922958 1071487847 /nfs/dbraw/zinc/48/78/47/1071487847.db2.gz VCHCZEMAPACVAW-KRWDZBQOSA-N 1 0 420.576 -0.037 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000524922959 1071487653 /nfs/dbraw/zinc/48/76/53/1071487653.db2.gz VCHCZEMAPACVAW-QGZVFWFLSA-N 1 0 420.576 -0.037 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000524925294 1071487778 /nfs/dbraw/zinc/48/77/78/1071487778.db2.gz UJOMFQXUGYIMRK-UHFFFAOYSA-N 1 0 408.590 -0.147 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000524930126 1071486376 /nfs/dbraw/zinc/48/63/76/1071486376.db2.gz IQMOUOCKUVTUNF-UHFFFAOYSA-N 1 0 404.515 -0.124 20 0 HBADRO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000524944159 1071488607 /nfs/dbraw/zinc/48/86/07/1071488607.db2.gz OAAQAXYVWZPQBX-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000524944160 1071488745 /nfs/dbraw/zinc/48/87/45/1071488745.db2.gz OAAQAXYVWZPQBX-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1 ZINC000524948260 1071488547 /nfs/dbraw/zinc/48/85/47/1071488547.db2.gz BHPRRZYEHYBOCB-HNNXBMFYSA-N 1 0 414.532 -0.407 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1 ZINC000524948261 1071488667 /nfs/dbraw/zinc/48/86/67/1071488667.db2.gz BHPRRZYEHYBOCB-OAHLLOKOSA-N 1 0 414.532 -0.407 20 0 HBADRO C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C)CC1 ZINC000524960905 1071487861 /nfs/dbraw/zinc/48/78/61/1071487861.db2.gz ZTWWLOKLFCGMHH-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](C)CC1 ZINC000524960908 1071487906 /nfs/dbraw/zinc/48/79/06/1071487906.db2.gz ZTWWLOKLFCGMHH-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCN3CCSCC3)CC2)cn1 ZINC000524995928 1071493121 /nfs/dbraw/zinc/49/31/21/1071493121.db2.gz PGCZIBPFAKQWJU-UHFFFAOYSA-N 1 0 416.573 -0.079 20 0 HBADRO Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cnn(CC(=O)NCC[NH+](C)C)c3)cc12 ZINC000525010169 1071493299 /nfs/dbraw/zinc/49/32/99/1071493299.db2.gz MFWOBHDZBFPJFS-UHFFFAOYSA-N 1 0 420.499 -0.048 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000525010814 1071493179 /nfs/dbraw/zinc/49/31/79/1071493179.db2.gz KMVZJRIYONBGGW-UHFFFAOYSA-N 1 0 419.471 -0.663 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000525011073 1071493252 /nfs/dbraw/zinc/49/32/52/1071493252.db2.gz YYAXBWCCBJGWJV-UHFFFAOYSA-N 1 0 422.467 -0.307 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000525085637 1071499377 /nfs/dbraw/zinc/49/93/77/1071499377.db2.gz LCKXJVNGEADFDN-UHFFFAOYSA-N 1 0 424.590 -0.410 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000525090984 1071500127 /nfs/dbraw/zinc/50/01/27/1071500127.db2.gz GROVQXAVSDUZRY-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCn2nnc3ccccc3c2=O)cn1 ZINC000525102162 1071501989 /nfs/dbraw/zinc/50/19/89/1071501989.db2.gz LWPCLHACPPZGTH-UHFFFAOYSA-N 1 0 412.454 -0.305 20 0 HBADRO C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000525102496 1071501783 /nfs/dbraw/zinc/50/17/83/1071501783.db2.gz RMUYLYLRUQJINU-CYBMUJFWSA-N 1 0 419.486 -0.248 20 0 HBADRO C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000525102497 1071502020 /nfs/dbraw/zinc/50/20/20/1071502020.db2.gz RMUYLYLRUQJINU-ZDUSSCGKSA-N 1 0 419.486 -0.248 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2cnc3sccc3c2=O)cn1 ZINC000525103051 1071501820 /nfs/dbraw/zinc/50/18/20/1071501820.db2.gz KLQIAPAVNNWHOO-UHFFFAOYSA-N 1 0 403.468 -0.029 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cnc21 ZINC000525103107 1071501893 /nfs/dbraw/zinc/50/18/93/1071501893.db2.gz NFVHSLRWJMFGCM-UHFFFAOYSA-N 1 0 414.426 -0.839 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525103412 1071502750 /nfs/dbraw/zinc/50/27/50/1071502750.db2.gz DBPWWZBBBTWGLU-UHFFFAOYSA-N 1 0 424.483 -0.531 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)Cc2cccc(F)c2)cn1 ZINC000525103519 1071502526 /nfs/dbraw/zinc/50/25/26/1071502526.db2.gz IYADEYFHSHGKFG-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)cn1 ZINC000525103716 1071502698 /nfs/dbraw/zinc/50/26/98/1071502698.db2.gz DRHJPPWCXNAFCY-UHFFFAOYSA-N 1 0 414.532 -0.295 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(S(N)(=O)=O)c2)cn1 ZINC000525103775 1071501772 /nfs/dbraw/zinc/50/17/72/1071501772.db2.gz QCHMRDJKFVVHBI-UHFFFAOYSA-N 1 0 400.486 -0.478 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000525104068 1071501964 /nfs/dbraw/zinc/50/19/64/1071501964.db2.gz MGCIDCBJVGYGOW-LLVKDONJSA-N 1 0 404.393 -0.090 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000525104069 1071501761 /nfs/dbraw/zinc/50/17/61/1071501761.db2.gz MGCIDCBJVGYGOW-NSHDSACASA-N 1 0 404.393 -0.090 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)cn1 ZINC000525104113 1071502740 /nfs/dbraw/zinc/50/27/40/1071502740.db2.gz YDRLZMUGVVMUOR-UHFFFAOYSA-N 1 0 408.484 -0.398 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cn1 ZINC000525104132 1071502685 /nfs/dbraw/zinc/50/26/85/1071502685.db2.gz ODBUGMWTOBMJGM-GOSISDBHSA-N 1 0 405.459 -0.780 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cn1 ZINC000525104135 1071502772 /nfs/dbraw/zinc/50/27/72/1071502772.db2.gz ODBUGMWTOBMJGM-SFHVURJKSA-N 1 0 405.459 -0.780 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cn1 ZINC000525104706 1071502713 /nfs/dbraw/zinc/50/27/13/1071502713.db2.gz MIHKRCFYCNJJOH-UHFFFAOYSA-N 1 0 422.511 -0.132 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000525121464 1071503200 /nfs/dbraw/zinc/50/32/00/1071503200.db2.gz OGSOSCFEIHQXKQ-GOSISDBHSA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000525121465 1071503396 /nfs/dbraw/zinc/50/33/96/1071503396.db2.gz OGSOSCFEIHQXKQ-SFHVURJKSA-N 1 0 409.575 -0.301 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cn1 ZINC000525127464 1071503126 /nfs/dbraw/zinc/50/31/26/1071503126.db2.gz QSWOXMJTUMEDTB-UHFFFAOYSA-N 1 0 409.472 -0.148 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525161023 1071505237 /nfs/dbraw/zinc/50/52/37/1071505237.db2.gz LNECMTXPHZKZAZ-HNNXBMFYSA-N 1 0 414.576 -0.152 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525161024 1071505183 /nfs/dbraw/zinc/50/51/83/1071505183.db2.gz LNECMTXPHZKZAZ-OAHLLOKOSA-N 1 0 414.576 -0.152 20 0 HBADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(N)=O ZINC000525178498 1071506529 /nfs/dbraw/zinc/50/65/29/1071506529.db2.gz VMOOQKNXBIHLMC-MSOLQXFVSA-N 1 0 416.526 -0.178 20 0 HBADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(N)=O ZINC000525178499 1071506313 /nfs/dbraw/zinc/50/63/13/1071506313.db2.gz VMOOQKNXBIHLMC-ROUUACIJSA-N 1 0 416.526 -0.178 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000525246734 1071509455 /nfs/dbraw/zinc/50/94/55/1071509455.db2.gz IXWJRJHLVKBPFV-CVEARBPZSA-N 1 0 400.545 -0.692 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000525246736 1071509024 /nfs/dbraw/zinc/50/90/24/1071509024.db2.gz IXWJRJHLVKBPFV-HOTGVXAUSA-N 1 0 400.545 -0.692 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000525246737 1071509363 /nfs/dbraw/zinc/50/93/63/1071509363.db2.gz IXWJRJHLVKBPFV-HZPDHXFCSA-N 1 0 400.545 -0.692 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000525246738 1071509257 /nfs/dbraw/zinc/50/92/57/1071509257.db2.gz IXWJRJHLVKBPFV-JKSUJKDBSA-N 1 0 400.545 -0.692 20 0 HBADRO CC(C)[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC000525260711 1071512501 /nfs/dbraw/zinc/51/25/01/1071512501.db2.gz BRCNEVSEBMHUGE-INIZCTEOSA-N 1 0 404.515 -0.423 20 0 HBADRO CC(C)[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC000525260715 1071512397 /nfs/dbraw/zinc/51/23/97/1071512397.db2.gz BRCNEVSEBMHUGE-MRXNPFEDSA-N 1 0 404.515 -0.423 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267162 1071513037 /nfs/dbraw/zinc/51/30/37/1071513037.db2.gz JLRJRGNJCWKPGV-IBGZPJMESA-N 1 0 408.591 -0.681 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267163 1071513210 /nfs/dbraw/zinc/51/32/10/1071513210.db2.gz JLRJRGNJCWKPGV-LJQANCHMSA-N 1 0 408.591 -0.681 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000525297630 1071518568 /nfs/dbraw/zinc/51/85/68/1071518568.db2.gz WKQDXJJMMDADGW-INIZCTEOSA-N 1 0 422.574 -0.077 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000525297631 1071518385 /nfs/dbraw/zinc/51/83/85/1071518385.db2.gz WKQDXJJMMDADGW-MRXNPFEDSA-N 1 0 422.574 -0.077 20 0 HBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000525313685 1071518015 /nfs/dbraw/zinc/51/80/15/1071518015.db2.gz MPFLATHZXIKEQA-AWEZNQCLSA-N 1 0 408.480 -0.054 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000525313686 1071518506 /nfs/dbraw/zinc/51/85/06/1071518506.db2.gz MPFLATHZXIKEQA-CQSZACIVSA-N 1 0 408.480 -0.054 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000525322850 1071521175 /nfs/dbraw/zinc/52/11/75/1071521175.db2.gz VKMVOYFQSBXVDC-AWEZNQCLSA-N 1 0 400.487 -0.091 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000525322852 1071521371 /nfs/dbraw/zinc/52/13/71/1071521371.db2.gz VKMVOYFQSBXVDC-CQSZACIVSA-N 1 0 400.487 -0.091 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525382244 1071527185 /nfs/dbraw/zinc/52/71/85/1071527185.db2.gz PINSJQYMSAVNCB-NRFANRHFSA-N 1 0 402.495 -0.181 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525382246 1071527371 /nfs/dbraw/zinc/52/73/71/1071527371.db2.gz PINSJQYMSAVNCB-OAQYLSRUSA-N 1 0 402.495 -0.181 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c(OCC(=O)N(C)C)c1 ZINC000525429321 1071529562 /nfs/dbraw/zinc/52/95/62/1071529562.db2.gz VCKIXTWQKKSOEX-UHFFFAOYSA-N 1 0 406.483 -0.027 20 0 HBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000525429418 1071529545 /nfs/dbraw/zinc/52/95/45/1071529545.db2.gz YNEIHMDGPGOYES-UHFFFAOYSA-N 1 0 405.484 -0.104 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000525429600 1071530023 /nfs/dbraw/zinc/53/00/23/1071530023.db2.gz HJGXQEPMFXRPJX-UHFFFAOYSA-N 1 0 424.523 -0.018 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000525437130 1071533791 /nfs/dbraw/zinc/53/37/91/1071533791.db2.gz BNTUDCFADLXGML-UHFFFAOYSA-N 1 0 414.528 -0.133 20 0 HBADRO COCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000525495764 1071537486 /nfs/dbraw/zinc/53/74/86/1071537486.db2.gz MVUREEDVHFHEET-UHFFFAOYSA-N 1 0 402.521 -0.549 20 0 HBADRO C[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CN1CC[NH+](C)CC1 ZINC000525600967 1071542292 /nfs/dbraw/zinc/54/22/92/1071542292.db2.gz CJOGFYXTJWJSDZ-GFCCVEGCSA-N 1 0 410.500 -0.804 20 0 HBADRO C[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CN1CC[NH+](C)CC1 ZINC000525600968 1071542411 /nfs/dbraw/zinc/54/24/11/1071542411.db2.gz CJOGFYXTJWJSDZ-LBPRGKRZSA-N 1 0 410.500 -0.804 20 0 HBADRO CC(C)[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)N1CC[NH+](C)CC1 ZINC000525601082 1071542496 /nfs/dbraw/zinc/54/24/96/1071542496.db2.gz LJXPPEJYMVWMPL-HNNXBMFYSA-N 1 0 424.527 -0.416 20 0 HBADRO CC(C)[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)N1CC[NH+](C)CC1 ZINC000525601083 1071543006 /nfs/dbraw/zinc/54/30/06/1071543006.db2.gz LJXPPEJYMVWMPL-OAHLLOKOSA-N 1 0 424.527 -0.416 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000525603677 1068608740 /nfs/dbraw/zinc/60/87/40/1068608740.db2.gz ZZJWUSNJBGRRJJ-UHFFFAOYSA-N 1 0 400.457 -0.674 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2cccnc2)cn1 ZINC000525615619 1071546003 /nfs/dbraw/zinc/54/60/03/1071546003.db2.gz FLLLMXOZOWCYQT-UHFFFAOYSA-N 1 0 423.499 -0.737 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000525615845 1071546232 /nfs/dbraw/zinc/54/62/32/1071546232.db2.gz AGYYJMAOLUTELT-UHFFFAOYSA-N 1 0 408.484 -0.279 20 0 HBADRO CCC1(CC)NC(=O)N(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1=O ZINC000525615907 1071546248 /nfs/dbraw/zinc/54/62/48/1071546248.db2.gz BPZSCTZDAAGKFW-UHFFFAOYSA-N 1 0 407.475 -0.390 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000525616128 1071546320 /nfs/dbraw/zinc/54/63/20/1071546320.db2.gz IKAYEXTZJXCNMY-UHFFFAOYSA-N 1 0 407.475 -0.390 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)COc3ccccc32)cn1 ZINC000525616958 1071546086 /nfs/dbraw/zinc/54/60/86/1071546086.db2.gz NNJGLEOXCJLION-UHFFFAOYSA-N 1 0 400.439 -0.075 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000525617180 1071546135 /nfs/dbraw/zinc/54/61/35/1071546135.db2.gz ZUQGEOQPPGETNM-UHFFFAOYSA-N 1 0 419.486 -0.246 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cn1 ZINC000525617317 1071546101 /nfs/dbraw/zinc/54/61/01/1071546101.db2.gz FYHHANBDFLMNPH-GASCZTMLSA-N 1 0 404.471 -0.325 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 ZINC000525617318 1071546056 /nfs/dbraw/zinc/54/60/56/1071546056.db2.gz FYHHANBDFLMNPH-GJZGRUSLSA-N 1 0 404.471 -0.325 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 ZINC000525617319 1071546266 /nfs/dbraw/zinc/54/62/66/1071546266.db2.gz FYHHANBDFLMNPH-HUUCEWRRSA-N 1 0 404.471 -0.325 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2cccs2)cn1 ZINC000525617567 1071545985 /nfs/dbraw/zinc/54/59/85/1071545985.db2.gz SBSHRILVSGHDHH-UHFFFAOYSA-N 1 0 414.513 -0.461 20 0 HBADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525617665 1071546149 /nfs/dbraw/zinc/54/61/49/1071546149.db2.gz ZLIIEYCWPNPBOG-UHFFFAOYSA-N 1 0 414.513 -0.169 20 0 HBADRO CNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000525618831 1071546679 /nfs/dbraw/zinc/54/66/79/1071546679.db2.gz HEAXJUFNFRFIAI-UHFFFAOYSA-N 1 0 408.484 -0.279 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000525619853 1071546645 /nfs/dbraw/zinc/54/66/45/1071546645.db2.gz LMUAJNLAJIIALC-UHFFFAOYSA-N 1 0 419.486 -0.246 20 0 HBADRO COCCN(C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000525634942 1068754396 /nfs/dbraw/zinc/75/43/96/1068754396.db2.gz ASUMCWASMLCAER-DLBZAZTESA-N 1 0 403.545 -0.697 20 0 HBADRO COCCN(C(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000525634943 1071548301 /nfs/dbraw/zinc/54/83/01/1071548301.db2.gz ASUMCWASMLCAER-IAGOWNOFSA-N 1 0 403.545 -0.697 20 0 HBADRO COCCN(C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000525634944 1071548263 /nfs/dbraw/zinc/54/82/63/1071548263.db2.gz ASUMCWASMLCAER-IRXDYDNUSA-N 1 0 403.545 -0.697 20 0 HBADRO COCCN(C(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000525634945 1071548171 /nfs/dbraw/zinc/54/81/71/1071548171.db2.gz ASUMCWASMLCAER-SJORKVTESA-N 1 0 403.545 -0.697 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000525671027 1068963773 /nfs/dbraw/zinc/96/37/73/1068963773.db2.gz KNOQIHXSWRRJTP-AWEZNQCLSA-N 1 0 401.533 -0.116 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000525671028 1068963657 /nfs/dbraw/zinc/96/36/57/1068963657.db2.gz KNOQIHXSWRRJTP-CQSZACIVSA-N 1 0 401.533 -0.116 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H]1C ZINC000525677065 1068834150 /nfs/dbraw/zinc/83/41/50/1068834150.db2.gz RRHNWJAZMFLJPX-KBPBESRZSA-N 1 0 400.501 -0.437 20 0 HBADRO C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1C ZINC000525677066 1068834241 /nfs/dbraw/zinc/83/42/41/1068834241.db2.gz RRHNWJAZMFLJPX-KGLIPLIRSA-N 1 0 400.501 -0.437 20 0 HBADRO C[C@@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H]1C ZINC000525677068 1068834058 /nfs/dbraw/zinc/83/40/58/1068834058.db2.gz RRHNWJAZMFLJPX-ZIAGYGMSSA-N 1 0 400.501 -0.437 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000525690517 1068965869 /nfs/dbraw/zinc/96/58/69/1068965869.db2.gz JRSMQAMPZMPFEW-UHFFFAOYSA-N 1 0 418.560 -0.609 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000525691037 1068965707 /nfs/dbraw/zinc/96/57/07/1068965707.db2.gz WAVPGKTYDOBESN-UHFFFAOYSA-N 1 0 416.526 -0.211 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000525691313 1068965928 /nfs/dbraw/zinc/96/59/28/1068965928.db2.gz ZQFZUXKPSJYRSV-UHFFFAOYSA-N 1 0 416.526 -0.209 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000525692130 1068966743 /nfs/dbraw/zinc/96/67/43/1068966743.db2.gz NYGINRZWOCMJRI-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000525698389 1068964533 /nfs/dbraw/zinc/96/45/33/1068964533.db2.gz HTMORHWGGQYYJS-AWEZNQCLSA-N 1 0 404.558 -0.114 20 0 HBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000525698390 1068964568 /nfs/dbraw/zinc/96/45/68/1068964568.db2.gz HTMORHWGGQYYJS-CQSZACIVSA-N 1 0 404.558 -0.114 20 0 HBADRO CC(C)[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[NH+](C)CC1 ZINC000525698438 1068964593 /nfs/dbraw/zinc/96/45/93/1068964593.db2.gz SBFZELSUTQXGQG-INIZCTEOSA-N 1 0 409.512 -0.233 20 0 HBADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[NH+](C)CC1 ZINC000525698439 1068965055 /nfs/dbraw/zinc/96/50/55/1068965055.db2.gz SBFZELSUTQXGQG-MRXNPFEDSA-N 1 0 409.512 -0.233 20 0 HBADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000525757046 1068969835 /nfs/dbraw/zinc/96/98/35/1068969835.db2.gz YHJMBNJSCLODDO-CHWSQXEVSA-N 1 0 421.523 -0.038 20 0 HBADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000525757047 1068969590 /nfs/dbraw/zinc/96/95/90/1068969590.db2.gz YHJMBNJSCLODDO-OLZOCXBDSA-N 1 0 421.523 -0.038 20 0 HBADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000525757048 1068969776 /nfs/dbraw/zinc/96/97/76/1068969776.db2.gz YHJMBNJSCLODDO-QWHCGFSZSA-N 1 0 421.523 -0.038 20 0 HBADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000525757049 1068969390 /nfs/dbraw/zinc/96/93/90/1068969390.db2.gz YHJMBNJSCLODDO-STQMWFEESA-N 1 0 421.523 -0.038 20 0 HBADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1-n1cnnn1 ZINC000525792572 1068972357 /nfs/dbraw/zinc/97/23/57/1068972357.db2.gz QOARGFODFYZEOG-AWEZNQCLSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1-n1cnnn1 ZINC000525792573 1068972224 /nfs/dbraw/zinc/97/22/24/1068972224.db2.gz QOARGFODFYZEOG-CQSZACIVSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1-n1cnnn1 ZINC000525792973 1068971624 /nfs/dbraw/zinc/97/16/24/1068971624.db2.gz STAGYYQYFPMBFM-AWEZNQCLSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1-n1cnnn1 ZINC000525792974 1068971602 /nfs/dbraw/zinc/97/16/02/1068971602.db2.gz STAGYYQYFPMBFM-CQSZACIVSA-N 1 0 414.470 -0.387 20 0 HBADRO Cn1c2c(ccn2CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000525799588 1068971776 /nfs/dbraw/zinc/97/17/76/1068971776.db2.gz QMXLTPOUKRKVRJ-UHFFFAOYSA-N 1 0 421.498 -0.229 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525815364 1068972831 /nfs/dbraw/zinc/97/28/31/1068972831.db2.gz OKLKKBJSKYLMJD-CVEARBPZSA-N 1 0 408.547 -0.432 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525815365 1068972982 /nfs/dbraw/zinc/97/29/82/1068972982.db2.gz OKLKKBJSKYLMJD-HOTGVXAUSA-N 1 0 408.547 -0.432 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525815366 1068973038 /nfs/dbraw/zinc/97/30/38/1068973038.db2.gz OKLKKBJSKYLMJD-HZPDHXFCSA-N 1 0 408.547 -0.432 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525815367 1068972955 /nfs/dbraw/zinc/97/29/55/1068972955.db2.gz OKLKKBJSKYLMJD-JKSUJKDBSA-N 1 0 408.547 -0.432 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000525835796 1068974918 /nfs/dbraw/zinc/97/49/18/1068974918.db2.gz YJOHULPQNSJPQB-UHFFFAOYSA-N 1 0 420.510 -0.003 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000525853252 1068979378 /nfs/dbraw/zinc/97/93/78/1068979378.db2.gz KAIONEBRDKRLQK-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000525902137 1068983734 /nfs/dbraw/zinc/98/37/34/1068983734.db2.gz YSSKAVYPRGVKIF-INIZCTEOSA-N 1 0 408.499 -0.153 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000525902138 1068984444 /nfs/dbraw/zinc/98/44/44/1068984444.db2.gz YSSKAVYPRGVKIF-MRXNPFEDSA-N 1 0 408.499 -0.153 20 0 HBADRO COc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nn1C ZINC000525903492 1068982207 /nfs/dbraw/zinc/98/22/07/1068982207.db2.gz YKANRJPMUWSKCN-HNNXBMFYSA-N 1 0 416.482 -0.228 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000525913905 1068986560 /nfs/dbraw/zinc/98/65/60/1068986560.db2.gz NBBFCRZFHBFDPN-UHFFFAOYSA-N 1 0 401.427 -0.531 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000526087665 1068996750 /nfs/dbraw/zinc/99/67/50/1068996750.db2.gz AKJCOCGMMMSLFZ-UHFFFAOYSA-N 1 0 405.499 -0.520 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000526088571 1068996660 /nfs/dbraw/zinc/99/66/60/1068996660.db2.gz KNWIEEOIWLZSFI-INIZCTEOSA-N 1 0 403.483 -0.796 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000526088572 1068996519 /nfs/dbraw/zinc/99/65/19/1068996519.db2.gz KNWIEEOIWLZSFI-MRXNPFEDSA-N 1 0 403.483 -0.796 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000526102139 1068997445 /nfs/dbraw/zinc/99/74/45/1068997445.db2.gz SCYGTGBYJQFNBD-GASCZTMLSA-N 1 0 408.503 -0.133 20 0 HBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000526102140 1068997427 /nfs/dbraw/zinc/99/74/27/1068997427.db2.gz SCYGTGBYJQFNBD-GJZGRUSLSA-N 1 0 408.503 -0.133 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000526102141 1068997558 /nfs/dbraw/zinc/99/75/58/1068997558.db2.gz SCYGTGBYJQFNBD-HUUCEWRRSA-N 1 0 408.503 -0.133 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000526128674 1068999686 /nfs/dbraw/zinc/99/96/86/1068999686.db2.gz XEUUSYIPBZXCAO-UHFFFAOYSA-N 1 0 413.496 -0.020 20 0 HBADRO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C ZINC000526138315 1068999106 /nfs/dbraw/zinc/99/91/06/1068999106.db2.gz QWNGSKXGYZUKLR-UHFFFAOYSA-N 1 0 406.483 -0.067 20 0 HBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000526335105 1069000197 /nfs/dbraw/zinc/00/01/97/1069000197.db2.gz YRWWHCHWOWVLFT-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cs1 ZINC000526871344 1069007264 /nfs/dbraw/zinc/00/72/64/1069007264.db2.gz KHKZMWSTPCQJTK-AWEZNQCLSA-N 1 0 416.573 -0.287 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cs1 ZINC000526871363 1069007043 /nfs/dbraw/zinc/00/70/43/1069007043.db2.gz KHKZMWSTPCQJTK-CQSZACIVSA-N 1 0 416.573 -0.287 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000527073387 1069023634 /nfs/dbraw/zinc/02/36/34/1069023634.db2.gz OMLVQPZVHPDVQP-UHFFFAOYSA-N 1 0 403.527 -0.095 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cn2)C[C@@H](C)O1 ZINC000527079556 1069023582 /nfs/dbraw/zinc/02/35/82/1069023582.db2.gz NMCXDRKUICNJRB-BZUAXINKSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)cn2)C[C@@H](C)O1 ZINC000527079558 1069023754 /nfs/dbraw/zinc/02/37/54/1069023754.db2.gz NMCXDRKUICNJRB-OAGGEKHMSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cn2)C[C@H](C)O1 ZINC000527079559 1069023842 /nfs/dbraw/zinc/02/38/42/1069023842.db2.gz NMCXDRKUICNJRB-OWCLPIDISA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)cn2)C[C@H](C)O1 ZINC000527079560 1069023732 /nfs/dbraw/zinc/02/37/32/1069023732.db2.gz NMCXDRKUICNJRB-XHSDSOJGSA-N 1 0 420.514 -0.085 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)CC1 ZINC000527166585 1069026598 /nfs/dbraw/zinc/02/65/98/1069026598.db2.gz IRQOOZKDHFOZGJ-YSIASYRMSA-N 1 0 418.542 -0.055 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)CC1 ZINC000527166590 1069026379 /nfs/dbraw/zinc/02/63/79/1069026379.db2.gz IRQOOZKDHFOZGJ-YZGWKJHDSA-N 1 0 418.542 -0.055 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000527326492 1069032465 /nfs/dbraw/zinc/03/24/65/1069032465.db2.gz SOUMXTFXHMJAFS-KRWDZBQOSA-N 1 0 416.526 -0.353 20 0 HBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000527326493 1069032677 /nfs/dbraw/zinc/03/26/77/1069032677.db2.gz SOUMXTFXHMJAFS-QGZVFWFLSA-N 1 0 416.526 -0.353 20 0 HBADRO CN1C(=O)CCc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000527379635 1069034567 /nfs/dbraw/zinc/03/45/67/1069034567.db2.gz QKXNWBPRAWEQAD-UHFFFAOYSA-N 1 0 406.483 -0.067 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000527521471 1069042211 /nfs/dbraw/zinc/04/22/11/1069042211.db2.gz XYYRTIZOGOKTKE-IBGZPJMESA-N 1 0 409.531 -0.254 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000527521472 1069042020 /nfs/dbraw/zinc/04/20/20/1069042020.db2.gz XYYRTIZOGOKTKE-LJQANCHMSA-N 1 0 409.531 -0.254 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000530317302 1069072982 /nfs/dbraw/zinc/07/29/82/1069072982.db2.gz BNIXYSCLDYBIMK-UHFFFAOYSA-N 1 0 412.450 -0.058 20 0 HBADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000530350448 1069073579 /nfs/dbraw/zinc/07/35/79/1069073579.db2.gz OTUSOIUCZPTPAI-CEXWTWQISA-N 1 0 422.551 -0.404 20 0 HBADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000530350449 1069074467 /nfs/dbraw/zinc/07/44/67/1069074467.db2.gz OTUSOIUCZPTPAI-GUDVDZBRSA-N 1 0 422.551 -0.404 20 0 HBADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000530350450 1069074434 /nfs/dbraw/zinc/07/44/34/1069074434.db2.gz OTUSOIUCZPTPAI-QRVBRYPASA-N 1 0 422.551 -0.404 20 0 HBADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000530350451 1069074382 /nfs/dbraw/zinc/07/43/82/1069074382.db2.gz OTUSOIUCZPTPAI-QYZOEREBSA-N 1 0 422.551 -0.404 20 0 HBADRO O=C(N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530456136 1069078510 /nfs/dbraw/zinc/07/85/10/1069078510.db2.gz JJAPKCKOWVWWQR-GOSISDBHSA-N 1 0 420.495 -0.725 20 0 HBADRO O=C(N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530456137 1069078443 /nfs/dbraw/zinc/07/84/43/1069078443.db2.gz JJAPKCKOWVWWQR-SFHVURJKSA-N 1 0 420.495 -0.725 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000530533230 1069080072 /nfs/dbraw/zinc/08/00/72/1069080072.db2.gz SSRRFDQRAVWGRZ-AWEZNQCLSA-N 1 0 407.562 -0.236 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000530533231 1069080178 /nfs/dbraw/zinc/08/01/78/1069080178.db2.gz SSRRFDQRAVWGRZ-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO CN1CCN(c2cc[nH+]cc2NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000530565027 1069081837 /nfs/dbraw/zinc/08/18/37/1069081837.db2.gz XPXNZSNAOJXPEH-UHFFFAOYSA-N 1 0 421.483 -0.823 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)cn2)CC1 ZINC000530565597 1069081893 /nfs/dbraw/zinc/08/18/93/1069081893.db2.gz HQIZDWBZPMPVCY-UHFFFAOYSA-N 1 0 422.467 -0.558 20 0 HBADRO O=C(CN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000530565786 1069081984 /nfs/dbraw/zinc/08/19/84/1069081984.db2.gz KMRBYGHMIRDLOZ-JOCHJYFZSA-N 1 0 416.522 -0.374 20 0 HBADRO O=C(CN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000530565789 1069081822 /nfs/dbraw/zinc/08/18/22/1069081822.db2.gz KMRBYGHMIRDLOZ-QFIPXVFZSA-N 1 0 416.522 -0.374 20 0 HBADRO O=C(CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000530572343 1069082722 /nfs/dbraw/zinc/08/27/22/1069082722.db2.gz VEHDPNIBBZIHHH-APWZRJJASA-N 1 0 409.508 -0.567 20 0 HBADRO O=C(CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000530572344 1069082739 /nfs/dbraw/zinc/08/27/39/1069082739.db2.gz VEHDPNIBBZIHHH-LPHOPBHVSA-N 1 0 409.508 -0.567 20 0 HBADRO O=C(CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000530572345 1069082775 /nfs/dbraw/zinc/08/27/75/1069082775.db2.gz VEHDPNIBBZIHHH-QFBILLFUSA-N 1 0 409.508 -0.567 20 0 HBADRO O=C(CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000530572346 1069082749 /nfs/dbraw/zinc/08/27/49/1069082749.db2.gz VEHDPNIBBZIHHH-VQIMIIECSA-N 1 0 409.508 -0.567 20 0 HBADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000530575147 1069081086 /nfs/dbraw/zinc/08/10/86/1069081086.db2.gz GNKVXPUOWMUSNL-UHFFFAOYSA-N 1 0 422.526 -0.449 20 0 HBADRO CN1CCN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC000530690125 1069086464 /nfs/dbraw/zinc/08/64/64/1069086464.db2.gz RGUJJPHDZUEQQD-UHFFFAOYSA-N 1 0 403.483 -0.448 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530696189 1069087517 /nfs/dbraw/zinc/08/75/17/1069087517.db2.gz AHFZAFZHFVMOFW-GOSISDBHSA-N 1 0 408.480 -0.153 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530696190 1069087523 /nfs/dbraw/zinc/08/75/23/1069087523.db2.gz AHFZAFZHFVMOFW-SFHVURJKSA-N 1 0 408.480 -0.153 20 0 HBADRO CN1CC(=O)N(CCCC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000530721530 1069089242 /nfs/dbraw/zinc/08/92/42/1069089242.db2.gz QRXKUDSEWAIASQ-AWEZNQCLSA-N 1 0 402.517 -0.372 20 0 HBADRO CN1CC(=O)N(CCCC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000530721531 1069089183 /nfs/dbraw/zinc/08/91/83/1069089183.db2.gz QRXKUDSEWAIASQ-CQSZACIVSA-N 1 0 402.517 -0.372 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000530768450 1069089201 /nfs/dbraw/zinc/08/92/01/1069089201.db2.gz GWWHZYMNRLRXCS-INIZCTEOSA-N 1 0 402.565 -0.852 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000530768456 1069089138 /nfs/dbraw/zinc/08/91/38/1069089138.db2.gz GWWHZYMNRLRXCS-MRXNPFEDSA-N 1 0 402.565 -0.852 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000530806389 1069091801 /nfs/dbraw/zinc/09/18/01/1069091801.db2.gz JFESFDAAQPRUBR-AWEZNQCLSA-N 1 0 404.467 -0.085 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000530806398 1069091748 /nfs/dbraw/zinc/09/17/48/1069091748.db2.gz JFESFDAAQPRUBR-CQSZACIVSA-N 1 0 404.467 -0.085 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000530814177 1069091768 /nfs/dbraw/zinc/09/17/68/1069091768.db2.gz NKYYCEDXIILVRR-GFCCVEGCSA-N 1 0 402.473 -0.870 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000530814178 1069092018 /nfs/dbraw/zinc/09/20/18/1069092018.db2.gz NKYYCEDXIILVRR-LBPRGKRZSA-N 1 0 402.473 -0.870 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 ZINC000530815355 1069092578 /nfs/dbraw/zinc/09/25/78/1069092578.db2.gz HFXDCNCLFXACHJ-UHFFFAOYSA-N 1 0 424.479 -0.086 20 0 HBADRO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000530820116 1069092735 /nfs/dbraw/zinc/09/27/35/1069092735.db2.gz IABATOCRFQKYMO-DOMZBBRYSA-N 1 0 402.521 -0.537 20 0 HBADRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000530820117 1069093137 /nfs/dbraw/zinc/09/31/37/1069093137.db2.gz IABATOCRFQKYMO-IUODEOHRSA-N 1 0 402.521 -0.537 20 0 HBADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000530820118 1069092954 /nfs/dbraw/zinc/09/29/54/1069092954.db2.gz IABATOCRFQKYMO-SWLSCSKDSA-N 1 0 402.521 -0.537 20 0 HBADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000530820119 1069093155 /nfs/dbraw/zinc/09/31/55/1069093155.db2.gz IABATOCRFQKYMO-WFASDCNBSA-N 1 0 402.521 -0.537 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000530829783 1069093234 /nfs/dbraw/zinc/09/32/34/1069093234.db2.gz IPHQNDISUXCHCX-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000530829799 1069093089 /nfs/dbraw/zinc/09/30/89/1069093089.db2.gz IPHQNDISUXCHCX-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000530829800 1069092965 /nfs/dbraw/zinc/09/29/65/1069092965.db2.gz IPHQNDISUXCHCX-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000530829802 1069093043 /nfs/dbraw/zinc/09/30/43/1069093043.db2.gz IPHQNDISUXCHCX-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000530842835 1069093823 /nfs/dbraw/zinc/09/38/23/1069093823.db2.gz BHKDYDSHHLDKNW-INIZCTEOSA-N 1 0 417.466 -0.096 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000530842840 1069094229 /nfs/dbraw/zinc/09/42/29/1069094229.db2.gz BHKDYDSHHLDKNW-MRXNPFEDSA-N 1 0 417.466 -0.096 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)c1 ZINC000530928697 1069096734 /nfs/dbraw/zinc/09/67/34/1069096734.db2.gz SGHAPXICMOJILP-UHFFFAOYSA-N 1 0 403.483 -0.003 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000530947377 1068337405 /nfs/dbraw/zinc/33/74/05/1068337405.db2.gz JWYUHHFUQXLLSM-AWEZNQCLSA-N 1 0 423.539 -0.182 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000530947378 1069096633 /nfs/dbraw/zinc/09/66/33/1069096633.db2.gz JWYUHHFUQXLLSM-CQSZACIVSA-N 1 0 423.539 -0.182 20 0 HBADRO C[NH+](C)CCCN(C(=O)CSCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000530960106 1069096943 /nfs/dbraw/zinc/09/69/43/1069096943.db2.gz BKHMNOHNBDPHEC-HNNXBMFYSA-N 1 0 421.585 -0.454 20 0 HBADRO C[NH+](C)CCCN(C(=O)CSCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000530960107 1069097226 /nfs/dbraw/zinc/09/72/26/1069097226.db2.gz BKHMNOHNBDPHEC-OAHLLOKOSA-N 1 0 421.585 -0.454 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531021103 1069098269 /nfs/dbraw/zinc/09/82/69/1069098269.db2.gz WXRDBBVAFQTCCE-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000531053698 1069100096 /nfs/dbraw/zinc/10/00/96/1069100096.db2.gz GXWMAAFKDKWDIS-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000531053699 1069099876 /nfs/dbraw/zinc/09/98/76/1069099876.db2.gz GXWMAAFKDKWDIS-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000531057171 1069100575 /nfs/dbraw/zinc/10/05/75/1069100575.db2.gz MWVMMAWYVLGOJD-HNNXBMFYSA-N 1 0 412.512 -0.496 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000531057175 1069100680 /nfs/dbraw/zinc/10/06/80/1069100680.db2.gz MWVMMAWYVLGOJD-OAHLLOKOSA-N 1 0 412.512 -0.496 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000531060749 1069099277 /nfs/dbraw/zinc/09/92/77/1069099277.db2.gz SQZKXLSJGLYWKG-UHFFFAOYSA-N 1 0 417.558 -0.011 20 0 HBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062878 1069100851 /nfs/dbraw/zinc/10/08/51/1069100851.db2.gz PFQJIMBVKYUJBN-DENIHFKCSA-N 1 0 416.522 -0.327 20 0 HBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062884 1069100531 /nfs/dbraw/zinc/10/05/31/1069100531.db2.gz PFQJIMBVKYUJBN-KNQAVFIVSA-N 1 0 416.522 -0.327 20 0 HBADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062887 1069100654 /nfs/dbraw/zinc/10/06/54/1069100654.db2.gz PFQJIMBVKYUJBN-SIKLNZKXSA-N 1 0 416.522 -0.327 20 0 HBADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062888 1069101586 /nfs/dbraw/zinc/10/15/86/1069101586.db2.gz PFQJIMBVKYUJBN-UGKGYDQZSA-N 1 0 416.522 -0.327 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000531077831 1069100468 /nfs/dbraw/zinc/10/04/68/1069100468.db2.gz UCZUTUBYZBFTHH-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000531077832 1069100631 /nfs/dbraw/zinc/10/06/31/1069100631.db2.gz UCZUTUBYZBFTHH-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000531080970 1069101681 /nfs/dbraw/zinc/10/16/81/1069101681.db2.gz ZDIRNCZWEHEDAF-HNNXBMFYSA-N 1 0 403.439 -0.486 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000531080971 1069101525 /nfs/dbraw/zinc/10/15/25/1069101525.db2.gz ZDIRNCZWEHEDAF-OAHLLOKOSA-N 1 0 403.439 -0.486 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000531081486 1069101628 /nfs/dbraw/zinc/10/16/28/1069101628.db2.gz YXMUHZLGZUBHON-UHFFFAOYSA-N 1 0 405.455 -0.287 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000531097596 1069102318 /nfs/dbraw/zinc/10/23/18/1069102318.db2.gz DZZQCWSMEYUGOM-UHFFFAOYSA-N 1 0 413.496 -0.286 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000531105540 1069102273 /nfs/dbraw/zinc/10/22/73/1069102273.db2.gz UURXFUSSUBTYOL-AWEZNQCLSA-N 1 0 414.484 -0.381 20 0 HBADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000531105541 1069102117 /nfs/dbraw/zinc/10/21/17/1069102117.db2.gz UURXFUSSUBTYOL-CQSZACIVSA-N 1 0 414.484 -0.381 20 0 HBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000531121591 1068785830 /nfs/dbraw/zinc/78/58/30/1068785830.db2.gz ISAQCQCJWOMTLZ-AWEZNQCLSA-N 1 0 405.499 -0.410 20 0 HBADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000531121592 1069102807 /nfs/dbraw/zinc/10/28/07/1069102807.db2.gz ISAQCQCJWOMTLZ-CQSZACIVSA-N 1 0 405.499 -0.410 20 0 HBADRO CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1=O ZINC000531167206 1069103828 /nfs/dbraw/zinc/10/38/28/1069103828.db2.gz HVJHQBKJSSZCQE-UHFFFAOYSA-N 1 0 401.467 -0.297 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C(=O)N(C)C ZINC000531209956 1069105378 /nfs/dbraw/zinc/10/53/78/1069105378.db2.gz GHCGBWWCVZSAKN-OAHLLOKOSA-N 1 0 405.499 -0.156 20 0 HBADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000531246049 1069106892 /nfs/dbraw/zinc/10/68/92/1069106892.db2.gz CGGROZAFNVDBJB-KRWDZBQOSA-N 1 0 416.592 -0.464 20 0 HBADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000531246050 1069107431 /nfs/dbraw/zinc/10/74/31/1069107431.db2.gz CGGROZAFNVDBJB-QGZVFWFLSA-N 1 0 416.592 -0.464 20 0 HBADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000531246106 1069106988 /nfs/dbraw/zinc/10/69/88/1069106988.db2.gz GVGZDMGYVLJIQT-INIZCTEOSA-N 1 0 403.549 -0.379 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000531267778 1069108260 /nfs/dbraw/zinc/10/82/60/1069108260.db2.gz DGPNCBDXZRHVQZ-GOSISDBHSA-N 1 0 423.558 -0.917 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000531267779 1069108417 /nfs/dbraw/zinc/10/84/17/1069108417.db2.gz DGPNCBDXZRHVQZ-SFHVURJKSA-N 1 0 423.558 -0.917 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000531267807 1069108225 /nfs/dbraw/zinc/10/82/25/1069108225.db2.gz ITXNCSUACMQCAW-UHFFFAOYSA-N 1 0 406.549 -0.753 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000531270607 1069108481 /nfs/dbraw/zinc/10/84/81/1069108481.db2.gz VHLQOSDKFNRWAS-CYBMUJFWSA-N 1 0 417.532 -0.181 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000531270608 1069108929 /nfs/dbraw/zinc/10/89/29/1069108929.db2.gz VHLQOSDKFNRWAS-ZDUSSCGKSA-N 1 0 417.532 -0.181 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC000531289249 1069108997 /nfs/dbraw/zinc/10/89/97/1069108997.db2.gz XDYFAJVYXPWJSG-JOCHJYFZSA-N 1 0 414.506 -0.083 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC000531289250 1069108949 /nfs/dbraw/zinc/10/89/49/1069108949.db2.gz XDYFAJVYXPWJSG-QFIPXVFZSA-N 1 0 414.506 -0.083 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531291042 1069109602 /nfs/dbraw/zinc/10/96/02/1069109602.db2.gz QQZSIBAVATYXMG-NRFANRHFSA-N 1 0 404.511 -0.470 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531291046 1069109750 /nfs/dbraw/zinc/10/97/50/1069109750.db2.gz QQZSIBAVATYXMG-OAQYLSRUSA-N 1 0 404.511 -0.470 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 ZINC000531292175 1069109555 /nfs/dbraw/zinc/10/95/55/1069109555.db2.gz BTEBTLNNGLTEIE-UHFFFAOYSA-N 1 0 424.479 -0.086 20 0 HBADRO CC[NH+]1CCN(CCC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000531293778 1069110171 /nfs/dbraw/zinc/11/01/71/1069110171.db2.gz NRPNLUXDNCLAPC-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000531294145 1069109713 /nfs/dbraw/zinc/10/97/13/1069109713.db2.gz YTBXZAMVYTXJFO-HNNXBMFYSA-N 1 0 413.496 -0.022 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000531294146 1069109641 /nfs/dbraw/zinc/10/96/41/1069109641.db2.gz YTBXZAMVYTXJFO-OAHLLOKOSA-N 1 0 413.496 -0.022 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000531326744 1069111008 /nfs/dbraw/zinc/11/10/08/1069111008.db2.gz AHPYOGXHBFUTMW-INIZCTEOSA-N 1 0 418.560 -0.562 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000531326749 1069111150 /nfs/dbraw/zinc/11/11/50/1069111150.db2.gz AHPYOGXHBFUTMW-MRXNPFEDSA-N 1 0 418.560 -0.562 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000531344184 1069112017 /nfs/dbraw/zinc/11/20/17/1069112017.db2.gz NLXDZYZJWUFUJU-UHFFFAOYSA-N 1 0 401.489 -0.808 20 0 HBADRO CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1=O ZINC000531405609 1069113252 /nfs/dbraw/zinc/11/32/52/1069113252.db2.gz FNWKJYNGBSXHEB-UHFFFAOYSA-N 1 0 401.467 -0.377 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000531524906 1069117762 /nfs/dbraw/zinc/11/77/62/1069117762.db2.gz XKALUURHMOCGTP-UHFFFAOYSA-N 1 0 403.505 -0.570 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000531571384 1069119155 /nfs/dbraw/zinc/11/91/55/1069119155.db2.gz WCQDNPKCNNRSRT-AWEZNQCLSA-N 1 0 414.528 -0.182 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000531571386 1069118959 /nfs/dbraw/zinc/11/89/59/1069118959.db2.gz WCQDNPKCNNRSRT-CQSZACIVSA-N 1 0 414.528 -0.182 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000531578381 1069119846 /nfs/dbraw/zinc/11/98/46/1069119846.db2.gz BUBSJKVBYMVJBI-HNNXBMFYSA-N 1 0 417.514 -0.939 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000531578382 1069120560 /nfs/dbraw/zinc/12/05/60/1069120560.db2.gz BUBSJKVBYMVJBI-OAHLLOKOSA-N 1 0 417.514 -0.939 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531588217 1069119011 /nfs/dbraw/zinc/11/90/11/1069119011.db2.gz OWKNAZBCFJNFGG-AWEZNQCLSA-N 1 0 424.523 -0.301 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531588226 1069119870 /nfs/dbraw/zinc/11/98/70/1069119870.db2.gz OWKNAZBCFJNFGG-CQSZACIVSA-N 1 0 424.523 -0.301 20 0 HBADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C[NH+]1CCN(C)CC1 ZINC000531589122 1069119936 /nfs/dbraw/zinc/11/99/36/1069119936.db2.gz WTWGHJYHPSXNJG-HNNXBMFYSA-N 1 0 410.540 -0.005 20 0 HBADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C[NH+]1CCN(C)CC1 ZINC000531589123 1069119702 /nfs/dbraw/zinc/11/97/02/1069119702.db2.gz WTWGHJYHPSXNJG-OAHLLOKOSA-N 1 0 410.540 -0.005 20 0 HBADRO C[NH+]1CCN(Cc2ccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000531591349 1069119883 /nfs/dbraw/zinc/11/98/83/1069119883.db2.gz XUEMFUZSMDJCGQ-UHFFFAOYSA-N 1 0 409.556 -0.050 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000531595536 1069121186 /nfs/dbraw/zinc/12/11/86/1069121186.db2.gz WIXATARDHVMHCP-KRWDZBQOSA-N 1 0 401.577 -0.810 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000531595546 1069121304 /nfs/dbraw/zinc/12/13/04/1069121304.db2.gz WIXATARDHVMHCP-QGZVFWFLSA-N 1 0 401.577 -0.810 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1)N1CCOCC1 ZINC000531632542 1069121102 /nfs/dbraw/zinc/12/11/02/1069121102.db2.gz HEGLSTOXMCYJFI-GOSISDBHSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1)N1CCOCC1 ZINC000531632544 1069121334 /nfs/dbraw/zinc/12/13/34/1069121334.db2.gz HEGLSTOXMCYJFI-SFHVURJKSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1)N1CCOCC1 ZINC000531632629 1069121320 /nfs/dbraw/zinc/12/13/20/1069121320.db2.gz PWFSVORWHVWUGZ-UHFFFAOYSA-N 1 0 423.558 -0.183 20 0 HBADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 ZINC000531641912 1069121933 /nfs/dbraw/zinc/12/19/33/1069121933.db2.gz HASXUCMESGYQCI-BZUAXINKSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000531641915 1069121869 /nfs/dbraw/zinc/12/18/69/1069121869.db2.gz HASXUCMESGYQCI-HRCADAONSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000531641917 1069121968 /nfs/dbraw/zinc/12/19/68/1069121968.db2.gz HASXUCMESGYQCI-OAGGEKHMSA-N 1 0 420.514 -0.085 20 0 HBADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 ZINC000531641919 1069121981 /nfs/dbraw/zinc/12/19/81/1069121981.db2.gz HASXUCMESGYQCI-PMPSAXMXSA-N 1 0 420.514 -0.085 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)S(C)(=O)=O ZINC000531644398 1069122560 /nfs/dbraw/zinc/12/25/60/1069122560.db2.gz ZJVCRJSKVIVJMZ-KRWDZBQOSA-N 1 0 404.577 -0.183 20 0 HBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1)S(C)(=O)=O ZINC000531644399 1069122767 /nfs/dbraw/zinc/12/27/67/1069122767.db2.gz ZJVCRJSKVIVJMZ-QGZVFWFLSA-N 1 0 404.577 -0.183 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000531645832 1069122709 /nfs/dbraw/zinc/12/27/09/1069122709.db2.gz PLEOXUIUXAGPTG-AWEZNQCLSA-N 1 0 412.512 -0.367 20 0 HBADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000531645842 1069122754 /nfs/dbraw/zinc/12/27/54/1069122754.db2.gz PLEOXUIUXAGPTG-CQSZACIVSA-N 1 0 412.512 -0.367 20 0 HBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)C1 ZINC000531650962 1069122493 /nfs/dbraw/zinc/12/24/93/1069122493.db2.gz XGNLCPOYIZTQOB-GOSISDBHSA-N 1 0 404.515 -0.011 20 0 HBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)C1 ZINC000531650963 1069122797 /nfs/dbraw/zinc/12/27/97/1069122797.db2.gz XGNLCPOYIZTQOB-SFHVURJKSA-N 1 0 404.515 -0.011 20 0 HBADRO COCC(=O)N1CCN(c2cc(N3CCN(C(=O)COC)CC3)[nH+]c(C)n2)CC1 ZINC000531679865 1069124130 /nfs/dbraw/zinc/12/41/30/1069124130.db2.gz DQTUJLJNOJVFOW-UHFFFAOYSA-N 1 0 406.487 -0.625 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000531729435 1069124191 /nfs/dbraw/zinc/12/41/91/1069124191.db2.gz KKIJGBXFRPZBIZ-CYBMUJFWSA-N 1 0 400.526 -0.209 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000531729436 1069124255 /nfs/dbraw/zinc/12/42/55/1069124255.db2.gz KKIJGBXFRPZBIZ-ZDUSSCGKSA-N 1 0 400.526 -0.209 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000531729630 1069124064 /nfs/dbraw/zinc/12/40/64/1069124064.db2.gz MPPHSKWGFNTYMW-CYBMUJFWSA-N 1 0 400.526 -0.297 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000531729631 1069124171 /nfs/dbraw/zinc/12/41/71/1069124171.db2.gz MPPHSKWGFNTYMW-ZDUSSCGKSA-N 1 0 400.526 -0.297 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](CO)C2CCCCC2)cn1 ZINC000531763152 1069126108 /nfs/dbraw/zinc/12/61/08/1069126108.db2.gz RCPCTAZQAFNFLR-INIZCTEOSA-N 1 0 408.503 -0.443 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](CO)C2CCCCC2)cn1 ZINC000531763153 1069126004 /nfs/dbraw/zinc/12/60/04/1069126004.db2.gz RCPCTAZQAFNFLR-MRXNPFEDSA-N 1 0 408.503 -0.443 20 0 HBADRO CC(C)OC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000531763947 1069126085 /nfs/dbraw/zinc/12/60/85/1069126085.db2.gz IFRQXBRSBZLXRN-UHFFFAOYSA-N 1 0 408.503 -0.085 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000531765996 1069125931 /nfs/dbraw/zinc/12/59/31/1069125931.db2.gz BXVRGMYZFKAGKP-DLBZAZTESA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000531765998 1069126092 /nfs/dbraw/zinc/12/60/92/1069126092.db2.gz BXVRGMYZFKAGKP-IAGOWNOFSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000531766000 1069126162 /nfs/dbraw/zinc/12/61/62/1069126162.db2.gz BXVRGMYZFKAGKP-IRXDYDNUSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000531766001 1069125970 /nfs/dbraw/zinc/12/59/70/1069125970.db2.gz BXVRGMYZFKAGKP-SJORKVTESA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000531777304 1069126186 /nfs/dbraw/zinc/12/61/86/1069126186.db2.gz CQZHLLPFAVJHGO-UHFFFAOYSA-N 1 0 422.511 -0.694 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000531787960 1069127012 /nfs/dbraw/zinc/12/70/12/1069127012.db2.gz RXXTWYGJSCQOSD-UHFFFAOYSA-N 1 0 421.523 -0.029 20 0 HBADRO C[NH+](C)CCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000531824041 1069129600 /nfs/dbraw/zinc/12/96/00/1069129600.db2.gz HDNJWUJQMHZWEJ-GFCCVEGCSA-N 1 0 423.582 -0.095 20 0 HBADRO C[NH+](C)CCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 ZINC000531824044 1069129735 /nfs/dbraw/zinc/12/97/35/1069129735.db2.gz HDNJWUJQMHZWEJ-LBPRGKRZSA-N 1 0 423.582 -0.095 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000531836892 1069128781 /nfs/dbraw/zinc/12/87/81/1069128781.db2.gz VGNYDVXQRCZODX-HNNXBMFYSA-N 1 0 417.514 -0.939 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000531836893 1069128747 /nfs/dbraw/zinc/12/87/47/1069128747.db2.gz VGNYDVXQRCZODX-OAHLLOKOSA-N 1 0 417.514 -0.939 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000531836925 1069129590 /nfs/dbraw/zinc/12/95/90/1069129590.db2.gz XYAMZNNJHCQLEL-KRWDZBQOSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000531836927 1069130554 /nfs/dbraw/zinc/13/05/54/1069130554.db2.gz XYAMZNNJHCQLEL-QGZVFWFLSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000531837071 1069128921 /nfs/dbraw/zinc/12/89/21/1069128921.db2.gz UNGJYTIUQKUYBS-HNNXBMFYSA-N 1 0 414.510 -0.127 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000531837072 1069128808 /nfs/dbraw/zinc/12/88/08/1069128808.db2.gz UNGJYTIUQKUYBS-OAHLLOKOSA-N 1 0 414.510 -0.127 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000531839550 1069130524 /nfs/dbraw/zinc/13/05/24/1069130524.db2.gz IWLBZOUPVOAIHF-IBGZPJMESA-N 1 0 422.574 -0.123 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000531839551 1069130386 /nfs/dbraw/zinc/13/03/86/1069130386.db2.gz IWLBZOUPVOAIHF-LJQANCHMSA-N 1 0 422.574 -0.123 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531842043 1069131055 /nfs/dbraw/zinc/13/10/55/1069131055.db2.gz HYMMAQZURVHJAZ-UHFFFAOYSA-N 1 0 410.496 -0.773 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000531842739 1069130279 /nfs/dbraw/zinc/13/02/79/1069130279.db2.gz PDGGRGLZHWQKNF-INIZCTEOSA-N 1 0 410.496 -0.549 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000531842740 1069130231 /nfs/dbraw/zinc/13/02/31/1069130231.db2.gz PDGGRGLZHWQKNF-MRXNPFEDSA-N 1 0 410.496 -0.549 20 0 HBADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531845810 1069131186 /nfs/dbraw/zinc/13/11/86/1069131186.db2.gz PIWRZRTXPJYRNF-UHFFFAOYSA-N 1 0 406.549 -0.705 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000531887099 1069132431 /nfs/dbraw/zinc/13/24/31/1069132431.db2.gz PTKLIPBKKRMURN-UHFFFAOYSA-N 1 0 410.563 -0.800 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cn1 ZINC000531895451 1069133423 /nfs/dbraw/zinc/13/34/23/1069133423.db2.gz DLWDUCHENSHKMQ-UHFFFAOYSA-N 1 0 416.438 -0.091 20 0 HBADRO C[NH+]1CCN(CCCCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000531909635 1069134099 /nfs/dbraw/zinc/13/40/99/1069134099.db2.gz ZBWXOODYXQKFJM-UHFFFAOYSA-N 1 0 418.585 -0.088 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000531941485 1069135487 /nfs/dbraw/zinc/13/54/87/1069135487.db2.gz MLBISHWHRMIAJK-CVEARBPZSA-N 1 0 416.544 -0.255 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000531941486 1069135334 /nfs/dbraw/zinc/13/53/34/1069135334.db2.gz MLBISHWHRMIAJK-HOTGVXAUSA-N 1 0 416.544 -0.255 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000531941487 1069135515 /nfs/dbraw/zinc/13/55/15/1069135515.db2.gz MLBISHWHRMIAJK-HZPDHXFCSA-N 1 0 416.544 -0.255 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000531941488 1069135392 /nfs/dbraw/zinc/13/53/92/1069135392.db2.gz MLBISHWHRMIAJK-JKSUJKDBSA-N 1 0 416.544 -0.255 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000531996530 1069136753 /nfs/dbraw/zinc/13/67/53/1069136753.db2.gz CQGJPTMTQKAKDQ-AWEZNQCLSA-N 1 0 403.549 -0.348 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000531996531 1069136976 /nfs/dbraw/zinc/13/69/76/1069136976.db2.gz CQGJPTMTQKAKDQ-CQSZACIVSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000532021528 1069137571 /nfs/dbraw/zinc/13/75/71/1069137571.db2.gz FTOZHLPRCPZQSG-UHFFFAOYSA-N 1 0 402.455 -0.136 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000532041988 1069138473 /nfs/dbraw/zinc/13/84/73/1069138473.db2.gz DIXSLHSLQWGROP-KRWDZBQOSA-N 1 0 420.539 -0.197 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000532041989 1070416395 /nfs/dbraw/zinc/41/63/95/1070416395.db2.gz DIXSLHSLQWGROP-QGZVFWFLSA-N 1 0 420.539 -0.197 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532044764 1069139212 /nfs/dbraw/zinc/13/92/12/1069139212.db2.gz YCYHXZDWXMKXQJ-KRWDZBQOSA-N 1 0 418.585 -0.166 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532044765 1069139311 /nfs/dbraw/zinc/13/93/11/1069139311.db2.gz YCYHXZDWXMKXQJ-QGZVFWFLSA-N 1 0 418.585 -0.166 20 0 HBADRO C[NH+](C)CCCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532080973 1069141519 /nfs/dbraw/zinc/14/15/19/1069141519.db2.gz ITIBVZNKQFQAMF-HNNXBMFYSA-N 1 0 417.553 -0.156 20 0 HBADRO C[NH+](C)CCCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532080974 1069141491 /nfs/dbraw/zinc/14/14/91/1069141491.db2.gz ITIBVZNKQFQAMF-OAHLLOKOSA-N 1 0 417.553 -0.156 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cn1C ZINC000532088946 1069141679 /nfs/dbraw/zinc/14/16/79/1069141679.db2.gz UQKRPKUQUGCQLY-INIZCTEOSA-N 1 0 412.560 -0.366 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cn1C ZINC000532088972 1069141434 /nfs/dbraw/zinc/14/14/34/1069141434.db2.gz UQKRPKUQUGCQLY-MRXNPFEDSA-N 1 0 412.560 -0.366 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000532093580 1069142171 /nfs/dbraw/zinc/14/21/71/1069142171.db2.gz OYLCLFUGTRRTMT-PMACEKPBSA-N 1 0 421.586 -0.206 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000532093581 1069142444 /nfs/dbraw/zinc/14/24/44/1069142444.db2.gz OYLCLFUGTRRTMT-UXHICEINSA-N 1 0 421.586 -0.206 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000532093582 1069142544 /nfs/dbraw/zinc/14/25/44/1069142544.db2.gz OYLCLFUGTRRTMT-VQTJNVASSA-N 1 0 421.586 -0.206 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000532093583 1069142342 /nfs/dbraw/zinc/14/23/42/1069142342.db2.gz OYLCLFUGTRRTMT-WOJBJXKFSA-N 1 0 421.586 -0.206 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000532093712 1069141403 /nfs/dbraw/zinc/14/14/03/1069141403.db2.gz YGCMINYNSKSKEG-CVEARBPZSA-N 1 0 412.560 -0.286 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000532093713 1069141565 /nfs/dbraw/zinc/14/15/65/1069141565.db2.gz YGCMINYNSKSKEG-HOTGVXAUSA-N 1 0 412.560 -0.286 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000532093714 1069141583 /nfs/dbraw/zinc/14/15/83/1069141583.db2.gz YGCMINYNSKSKEG-HZPDHXFCSA-N 1 0 412.560 -0.286 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000532093715 1069142527 /nfs/dbraw/zinc/14/25/27/1069142527.db2.gz YGCMINYNSKSKEG-JKSUJKDBSA-N 1 0 412.560 -0.286 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc2)CC1 ZINC000532098902 1069142408 /nfs/dbraw/zinc/14/24/08/1069142408.db2.gz XWHVLVSNFKKNMT-IBGZPJMESA-N 1 0 423.583 -0.332 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc2)CC1 ZINC000532098903 1069142131 /nfs/dbraw/zinc/14/21/31/1069142131.db2.gz XWHVLVSNFKKNMT-LJQANCHMSA-N 1 0 423.583 -0.332 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1=O ZINC000532128516 1069143205 /nfs/dbraw/zinc/14/32/05/1069143205.db2.gz XEBITDGEQMYFOM-MSOLQXFVSA-N 1 0 407.559 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1=O ZINC000532128517 1069143327 /nfs/dbraw/zinc/14/33/27/1069143327.db2.gz XEBITDGEQMYFOM-QZTJIDSGSA-N 1 0 407.559 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1=O ZINC000532128518 1069143055 /nfs/dbraw/zinc/14/30/55/1069143055.db2.gz XEBITDGEQMYFOM-ROUUACIJSA-N 1 0 407.559 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1=O ZINC000532128520 1069143010 /nfs/dbraw/zinc/14/30/10/1069143010.db2.gz XEBITDGEQMYFOM-ZWKOTPCHSA-N 1 0 407.559 -0.058 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532197019 1069147300 /nfs/dbraw/zinc/14/73/00/1069147300.db2.gz SFOBGHKBKMHQKX-HNNXBMFYSA-N 1 0 416.525 -0.739 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532197020 1069147486 /nfs/dbraw/zinc/14/74/86/1069147486.db2.gz SFOBGHKBKMHQKX-OAHLLOKOSA-N 1 0 416.525 -0.739 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000532247938 1069147269 /nfs/dbraw/zinc/14/72/69/1069147269.db2.gz ZTZXQYVUHORSRN-INIZCTEOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000532247939 1069147469 /nfs/dbraw/zinc/14/74/69/1069147469.db2.gz ZTZXQYVUHORSRN-MRXNPFEDSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532255187 1069147387 /nfs/dbraw/zinc/14/73/87/1069147387.db2.gz MVIKTYNLAAMQED-KRWDZBQOSA-N 1 0 423.539 -0.176 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532255188 1069148151 /nfs/dbraw/zinc/14/81/51/1069148151.db2.gz MVIKTYNLAAMQED-QGZVFWFLSA-N 1 0 423.539 -0.176 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCO3)cn1 ZINC000532274993 1071158690 /nfs/dbraw/zinc/15/86/90/1071158690.db2.gz IQEJUJJMCODILH-UHFFFAOYSA-N 1 0 414.466 -0.249 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000532299387 1069149582 /nfs/dbraw/zinc/14/95/82/1069149582.db2.gz XXHRMZZCHUCLBT-UHFFFAOYSA-N 1 0 418.541 -0.588 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000532309802 1069150766 /nfs/dbraw/zinc/15/07/66/1069150766.db2.gz CIYPUCJPXQXSLZ-PBHICJAKSA-N 1 0 404.467 -0.294 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000532309803 1069150884 /nfs/dbraw/zinc/15/08/84/1069150884.db2.gz CIYPUCJPXQXSLZ-RHSMWYFYSA-N 1 0 404.467 -0.294 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000532309804 1069150845 /nfs/dbraw/zinc/15/08/45/1069150845.db2.gz CIYPUCJPXQXSLZ-WMLDXEAASA-N 1 0 404.467 -0.294 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2O1 ZINC000532309805 1069150796 /nfs/dbraw/zinc/15/07/96/1069150796.db2.gz CIYPUCJPXQXSLZ-YOEHRIQHSA-N 1 0 404.467 -0.294 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000532323201 1069150789 /nfs/dbraw/zinc/15/07/89/1069150789.db2.gz MMTGCNBOIVHLOP-UHFFFAOYSA-N 1 0 413.544 -0.204 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000532326649 1069151859 /nfs/dbraw/zinc/15/18/59/1069151859.db2.gz BSSXENOECQHKBH-CALCHBBNSA-N 1 0 404.577 -0.041 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000532326650 1069151903 /nfs/dbraw/zinc/15/19/03/1069151903.db2.gz BSSXENOECQHKBH-IAGOWNOFSA-N 1 0 404.577 -0.041 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000532326651 1069151643 /nfs/dbraw/zinc/15/16/43/1069151643.db2.gz BSSXENOECQHKBH-IRXDYDNUSA-N 1 0 404.577 -0.041 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000532334640 1069151837 /nfs/dbraw/zinc/15/18/37/1069151837.db2.gz DNCSSPVSARSWQW-KBXCAEBGSA-N 1 0 414.528 -0.326 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000532334641 1069151758 /nfs/dbraw/zinc/15/17/58/1069151758.db2.gz DNCSSPVSARSWQW-KDOFPFPSSA-N 1 0 414.528 -0.326 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000532334642 1069151627 /nfs/dbraw/zinc/15/16/27/1069151627.db2.gz DNCSSPVSARSWQW-KSSFIOAISA-N 1 0 414.528 -0.326 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000532334643 1069151783 /nfs/dbraw/zinc/15/17/83/1069151783.db2.gz DNCSSPVSARSWQW-RDTXWAMCSA-N 1 0 414.528 -0.326 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532342879 1069153260 /nfs/dbraw/zinc/15/32/60/1069153260.db2.gz MAUSCLKFRZYRHS-INIZCTEOSA-N 1 0 414.510 -0.127 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532342880 1069153028 /nfs/dbraw/zinc/15/30/28/1069153028.db2.gz MAUSCLKFRZYRHS-MRXNPFEDSA-N 1 0 414.510 -0.127 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000532343122 1069152514 /nfs/dbraw/zinc/15/25/14/1069152514.db2.gz YOMAXEHAKFSENC-HNNXBMFYSA-N 1 0 416.526 -0.184 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000532343123 1069153277 /nfs/dbraw/zinc/15/32/77/1069153277.db2.gz YOMAXEHAKFSENC-OAHLLOKOSA-N 1 0 416.526 -0.184 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000532348401 1069153432 /nfs/dbraw/zinc/15/34/32/1069153432.db2.gz SIJZEGWFVDIEDK-INIZCTEOSA-N 1 0 416.526 -0.334 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000532348402 1069153351 /nfs/dbraw/zinc/15/33/51/1069153351.db2.gz SIJZEGWFVDIEDK-MRXNPFEDSA-N 1 0 416.526 -0.334 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000532400511 1069182444 /nfs/dbraw/zinc/18/24/44/1069182444.db2.gz QZKCWFOHBCGQHX-INIZCTEOSA-N 1 0 404.471 -0.623 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000532400512 1069182497 /nfs/dbraw/zinc/18/24/97/1069182497.db2.gz QZKCWFOHBCGQHX-MRXNPFEDSA-N 1 0 404.471 -0.623 20 0 HBADRO Cn1c2ncn(CCC(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)c2c(=O)n(C)c1=O ZINC000532429746 1069195131 /nfs/dbraw/zinc/19/51/31/1069195131.db2.gz FEYACAHZECMKJX-CABCVRRESA-N 1 0 418.498 -0.417 20 0 HBADRO Cn1c2ncn(CCC(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)c2c(=O)n(C)c1=O ZINC000532429747 1069195353 /nfs/dbraw/zinc/19/53/53/1069195353.db2.gz FEYACAHZECMKJX-GJZGRUSLSA-N 1 0 418.498 -0.417 20 0 HBADRO Cn1c2ncn(CCC(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)c2c(=O)n(C)c1=O ZINC000532429748 1069195316 /nfs/dbraw/zinc/19/53/16/1069195316.db2.gz FEYACAHZECMKJX-HUUCEWRRSA-N 1 0 418.498 -0.417 20 0 HBADRO Cn1c2ncn(CCC(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)c2c(=O)n(C)c1=O ZINC000532429749 1069195391 /nfs/dbraw/zinc/19/53/91/1069195391.db2.gz FEYACAHZECMKJX-LSDHHAIUSA-N 1 0 418.498 -0.417 20 0 HBADRO Cn1c(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532429807 1069195334 /nfs/dbraw/zinc/19/53/34/1069195334.db2.gz HZSQXXOFPSVUPW-CABCVRRESA-N 1 0 403.483 -0.051 20 0 HBADRO Cn1c(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532429808 1069195293 /nfs/dbraw/zinc/19/52/93/1069195293.db2.gz HZSQXXOFPSVUPW-GJZGRUSLSA-N 1 0 403.483 -0.051 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000532471478 1069200757 /nfs/dbraw/zinc/20/07/57/1069200757.db2.gz LQZIBCPQVDEUJP-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532495533 1069202176 /nfs/dbraw/zinc/20/21/76/1069202176.db2.gz MRXYTKHNECVVIP-KRWDZBQOSA-N 1 0 406.531 -0.412 20 0 HBADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532495537 1069201944 /nfs/dbraw/zinc/20/19/44/1069201944.db2.gz MRXYTKHNECVVIP-QGZVFWFLSA-N 1 0 406.531 -0.412 20 0 HBADRO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000532512141 1069202755 /nfs/dbraw/zinc/20/27/55/1069202755.db2.gz AMCLAJAYQIUDMP-GOSISDBHSA-N 1 0 423.558 -0.772 20 0 HBADRO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000532512142 1069202870 /nfs/dbraw/zinc/20/28/70/1069202870.db2.gz AMCLAJAYQIUDMP-SFHVURJKSA-N 1 0 423.558 -0.772 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000532539622 1069203443 /nfs/dbraw/zinc/20/34/43/1069203443.db2.gz GCSVOMSHYFYMRA-AWEZNQCLSA-N 1 0 400.487 -0.258 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000532539623 1069203301 /nfs/dbraw/zinc/20/33/01/1069203301.db2.gz GCSVOMSHYFYMRA-CQSZACIVSA-N 1 0 400.487 -0.258 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000532546045 1069204230 /nfs/dbraw/zinc/20/42/30/1069204230.db2.gz JHKFAIQHEMOHOR-UHFFFAOYSA-N 1 0 424.523 -0.210 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532546443 1069204262 /nfs/dbraw/zinc/20/42/62/1069204262.db2.gz RFQWJHQFUNFTME-UHFFFAOYSA-N 1 0 412.512 -0.608 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000532547308 1069203879 /nfs/dbraw/zinc/20/38/79/1069203879.db2.gz MSIYXNLQZVUCLC-UHFFFAOYSA-N 1 0 416.530 -0.600 20 0 HBADRO Cn1c2ncn(CCN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556674 1069205337 /nfs/dbraw/zinc/20/53/37/1069205337.db2.gz VNSIUEOZWXIQJC-INIZCTEOSA-N 1 0 403.531 -0.464 20 0 HBADRO Cn1c2ncn(CCN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556675 1069205492 /nfs/dbraw/zinc/20/54/92/1069205492.db2.gz VNSIUEOZWXIQJC-MRXNPFEDSA-N 1 0 403.531 -0.464 20 0 HBADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000532557503 1069204107 /nfs/dbraw/zinc/20/41/07/1069204107.db2.gz IRWMISACAWJKJP-AWEZNQCLSA-N 1 0 400.487 -0.530 20 0 HBADRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000532557515 1069204912 /nfs/dbraw/zinc/20/49/12/1069204912.db2.gz IRWMISACAWJKJP-CQSZACIVSA-N 1 0 400.487 -0.530 20 0 HBADRO CCn1c(=O)c(C(=O)C[NH2+]C2(CO)CCOCC2)c(N)n(Cc2ccccc2)c1=O ZINC000532559705 1071255701 /nfs/dbraw/zinc/25/57/01/1071255701.db2.gz UJTJTDIWOVSZQA-UHFFFAOYSA-N 1 0 416.478 -0.026 20 0 HBADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000532579903 1069206753 /nfs/dbraw/zinc/20/67/53/1069206753.db2.gz YAUKUVPXRRVPIE-AWEZNQCLSA-N 1 0 418.541 -0.994 20 0 HBADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000532579959 1069206835 /nfs/dbraw/zinc/20/68/35/1069206835.db2.gz YAUKUVPXRRVPIE-CQSZACIVSA-N 1 0 418.541 -0.994 20 0 HBADRO C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532582950 1069207535 /nfs/dbraw/zinc/20/75/35/1069207535.db2.gz SBXSAEBJFJMWKB-INIZCTEOSA-N 1 0 410.540 -0.040 20 0 HBADRO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532583014 1069207635 /nfs/dbraw/zinc/20/76/35/1069207635.db2.gz SBXSAEBJFJMWKB-MRXNPFEDSA-N 1 0 410.540 -0.040 20 0 HBADRO Cc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000532636268 1069211852 /nfs/dbraw/zinc/21/18/52/1069211852.db2.gz BGYBSVKVXTVLOG-KRWDZBQOSA-N 1 0 416.482 -0.342 20 0 HBADRO Cc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000532636269 1069212019 /nfs/dbraw/zinc/21/20/19/1069212019.db2.gz BGYBSVKVXTVLOG-QGZVFWFLSA-N 1 0 416.482 -0.342 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000532663748 1069219449 /nfs/dbraw/zinc/21/94/49/1069219449.db2.gz QWTAJCKVNACHBH-INIZCTEOSA-N 1 0 423.539 -0.128 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000532663749 1069219281 /nfs/dbraw/zinc/21/92/81/1069219281.db2.gz QWTAJCKVNACHBH-MRXNPFEDSA-N 1 0 423.539 -0.128 20 0 HBADRO NC(=O)c1cccnc1N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000532668712 1069221161 /nfs/dbraw/zinc/22/11/61/1069221161.db2.gz GXNJSZUJHVPAQQ-UHFFFAOYSA-N 1 0 424.509 -0.169 20 0 HBADRO Cc1c(C(=O)NCCCC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000532672529 1069221646 /nfs/dbraw/zinc/22/16/46/1069221646.db2.gz RMQIOBQCKYDBAW-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 ZINC000532703509 1069225614 /nfs/dbraw/zinc/22/56/14/1069225614.db2.gz WGFMAEREUFAKNB-IBGZPJMESA-N 1 0 407.559 -0.010 20 0 HBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 ZINC000532703510 1069225571 /nfs/dbraw/zinc/22/55/71/1069225571.db2.gz WGFMAEREUFAKNB-LJQANCHMSA-N 1 0 407.559 -0.010 20 0 HBADRO CN1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)CC1 ZINC000532704085 1069226261 /nfs/dbraw/zinc/22/62/61/1069226261.db2.gz YJTKCUKKGKUOSK-UHFFFAOYSA-N 1 0 419.570 -0.057 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCCC(=O)NC(N)=O)CC2)cc1 ZINC000532704878 1069227131 /nfs/dbraw/zinc/22/71/31/1069227131.db2.gz SUXXIMVXDFGCQO-UHFFFAOYSA-N 1 0 411.528 -0.134 20 0 HBADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)NCc1ccccc1 ZINC000532705520 1069226814 /nfs/dbraw/zinc/22/68/14/1069226814.db2.gz KNFXSAYFKGJELZ-DLBZAZTESA-N 1 0 424.523 -0.510 20 0 HBADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)NCc1ccccc1 ZINC000532705521 1069226669 /nfs/dbraw/zinc/22/66/69/1069226669.db2.gz KNFXSAYFKGJELZ-IAGOWNOFSA-N 1 0 424.523 -0.510 20 0 HBADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)NCc1ccccc1 ZINC000532705522 1069226634 /nfs/dbraw/zinc/22/66/34/1069226634.db2.gz KNFXSAYFKGJELZ-IRXDYDNUSA-N 1 0 424.523 -0.510 20 0 HBADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)NCc1ccccc1 ZINC000532705523 1069226723 /nfs/dbraw/zinc/22/67/23/1069226723.db2.gz KNFXSAYFKGJELZ-SJORKVTESA-N 1 0 424.523 -0.510 20 0 HBADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532708395 1069228185 /nfs/dbraw/zinc/22/81/85/1069228185.db2.gz HRPXIIJPDXWFGF-DLBZAZTESA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532708396 1069228306 /nfs/dbraw/zinc/22/83/06/1069228306.db2.gz HRPXIIJPDXWFGF-IAGOWNOFSA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532708397 1069228514 /nfs/dbraw/zinc/22/85/14/1069228514.db2.gz HRPXIIJPDXWFGF-IRXDYDNUSA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532708399 1069228398 /nfs/dbraw/zinc/22/83/98/1069228398.db2.gz HRPXIIJPDXWFGF-SJORKVTESA-N 1 0 418.537 -0.444 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H](N2CCOCC2)C1 ZINC000532708860 1069228839 /nfs/dbraw/zinc/22/88/39/1069228839.db2.gz IOQMDRDMIMWJKA-BPUTZDHNSA-N 1 0 414.480 -0.758 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@H](N2CCOCC2)C1 ZINC000532708861 1069229648 /nfs/dbraw/zinc/22/96/48/1069229648.db2.gz IOQMDRDMIMWJKA-CWRNSKLLSA-N 1 0 414.480 -0.758 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)[C@@H](N2CCOCC2)C1 ZINC000532708862 1069229762 /nfs/dbraw/zinc/22/97/62/1069229762.db2.gz IOQMDRDMIMWJKA-KBMXLJTQSA-N 1 0 414.480 -0.758 20 0 HBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)[C@H](N2CCOCC2)C1 ZINC000532708863 1069229901 /nfs/dbraw/zinc/22/99/01/1069229901.db2.gz IOQMDRDMIMWJKA-VNQPRFMTSA-N 1 0 414.480 -0.758 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532710205 1069739910 /nfs/dbraw/zinc/73/99/10/1069739910.db2.gz NOTLGNUGYASFLV-ARFHVFGLSA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532710206 1069740233 /nfs/dbraw/zinc/74/02/33/1069740233.db2.gz NOTLGNUGYASFLV-BZUAXINKSA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532710207 1069740409 /nfs/dbraw/zinc/74/04/09/1069740409.db2.gz NOTLGNUGYASFLV-OAGGEKHMSA-N 1 0 410.606 -0.208 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532710208 1069740156 /nfs/dbraw/zinc/74/01/56/1069740156.db2.gz NOTLGNUGYASFLV-XHSDSOJGSA-N 1 0 410.606 -0.208 20 0 HBADRO COc1ccc(C(=O)NCCN2CC[NH+](CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000532715760 1069230253 /nfs/dbraw/zinc/23/02/53/1069230253.db2.gz YINGTZRNOHBLMB-UHFFFAOYSA-N 1 0 403.483 -0.016 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCCC1 ZINC000532722059 1069233871 /nfs/dbraw/zinc/23/38/71/1069233871.db2.gz XMMQXSYUOHLOBC-UHFFFAOYSA-N 1 0 424.542 -0.155 20 0 HBADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000532751191 1069235909 /nfs/dbraw/zinc/23/59/09/1069235909.db2.gz XDRBXFBWSKRWLE-KRWDZBQOSA-N 1 0 423.539 -0.477 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000532751192 1069235756 /nfs/dbraw/zinc/23/57/56/1069235756.db2.gz XDRBXFBWSKRWLE-QGZVFWFLSA-N 1 0 423.539 -0.477 20 0 HBADRO Cn1c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532784995 1069239300 /nfs/dbraw/zinc/23/93/00/1069239300.db2.gz ZMIUUHIRMIIZMZ-AWEZNQCLSA-N 1 0 403.483 -0.097 20 0 HBADRO Cn1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532784996 1069239237 /nfs/dbraw/zinc/23/92/37/1069239237.db2.gz ZMIUUHIRMIIZMZ-CQSZACIVSA-N 1 0 403.483 -0.097 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)c1 ZINC000532790692 1069239065 /nfs/dbraw/zinc/23/90/65/1069239065.db2.gz MUUQKPHDYVZHOA-IBGZPJMESA-N 1 0 412.556 -0.124 20 0 HBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)c1 ZINC000532790693 1069239253 /nfs/dbraw/zinc/23/92/53/1069239253.db2.gz MUUQKPHDYVZHOA-LJQANCHMSA-N 1 0 412.556 -0.124 20 0 HBADRO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC000532827144 1069240549 /nfs/dbraw/zinc/24/05/49/1069240549.db2.gz KJEGTTAVILCHTR-KRWDZBQOSA-N 1 0 422.617 -0.156 20 0 HBADRO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC000532827145 1069240337 /nfs/dbraw/zinc/24/03/37/1069240337.db2.gz KJEGTTAVILCHTR-QGZVFWFLSA-N 1 0 422.617 -0.156 20 0 HBADRO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827293 1069240236 /nfs/dbraw/zinc/24/02/36/1069240236.db2.gz JXFDCCUGTMQUDM-HNNXBMFYSA-N 1 0 408.503 -0.251 20 0 HBADRO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827294 1069240144 /nfs/dbraw/zinc/24/01/44/1069240144.db2.gz JXFDCCUGTMQUDM-OAHLLOKOSA-N 1 0 408.503 -0.251 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1=O ZINC000532831885 1069242173 /nfs/dbraw/zinc/24/21/73/1069242173.db2.gz MTMVMEJZSQAFTF-UHFFFAOYSA-N 1 0 422.482 -0.081 20 0 HBADRO COCCn1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000532833455 1069242201 /nfs/dbraw/zinc/24/22/01/1069242201.db2.gz MILOBUCFZYBCME-INIZCTEOSA-N 1 0 420.514 -0.150 20 0 HBADRO COCCn1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000532833464 1069242064 /nfs/dbraw/zinc/24/20/64/1069242064.db2.gz MILOBUCFZYBCME-MRXNPFEDSA-N 1 0 420.514 -0.150 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1=O ZINC000532834724 1069242514 /nfs/dbraw/zinc/24/25/14/1069242514.db2.gz BLRZQTHEPVYLEU-HNNXBMFYSA-N 1 0 420.466 -0.469 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1=O ZINC000532834732 1069242644 /nfs/dbraw/zinc/24/26/44/1069242644.db2.gz BLRZQTHEPVYLEU-OAHLLOKOSA-N 1 0 420.466 -0.469 20 0 HBADRO COCCCS(=O)(=O)N1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000532880568 1069243057 /nfs/dbraw/zinc/24/30/57/1069243057.db2.gz CNINEICRRVTRKG-HNNXBMFYSA-N 1 0 404.533 -0.951 20 0 HBADRO COCCCS(=O)(=O)N1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000532880580 1069243203 /nfs/dbraw/zinc/24/32/03/1069243203.db2.gz CNINEICRRVTRKG-OAHLLOKOSA-N 1 0 404.533 -0.951 20 0 HBADRO CNS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532901779 1069245620 /nfs/dbraw/zinc/24/56/20/1069245620.db2.gz OKZFXHXISYTKHF-UHFFFAOYSA-N 1 0 418.541 -0.076 20 0 HBADRO C[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000532906345 1069244675 /nfs/dbraw/zinc/24/46/75/1069244675.db2.gz PXOGANJAJHXTAF-CABCVRRESA-N 1 0 400.487 -0.286 20 0 HBADRO C[C@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000532906346 1069244540 /nfs/dbraw/zinc/24/45/40/1069244540.db2.gz PXOGANJAJHXTAF-GJZGRUSLSA-N 1 0 400.487 -0.286 20 0 HBADRO C[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000532906347 1069244833 /nfs/dbraw/zinc/24/48/33/1069244833.db2.gz PXOGANJAJHXTAF-HUUCEWRRSA-N 1 0 400.487 -0.286 20 0 HBADRO C[C@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000532906348 1069244730 /nfs/dbraw/zinc/24/47/30/1069244730.db2.gz PXOGANJAJHXTAF-LSDHHAIUSA-N 1 0 400.487 -0.286 20 0 HBADRO CN1CCN(c2ncc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000532931628 1069246426 /nfs/dbraw/zinc/24/64/26/1069246426.db2.gz WMUXIPYEQGINLI-GOSISDBHSA-N 1 0 403.531 -0.749 20 0 HBADRO CN1CCN(c2ncc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000532931634 1069246329 /nfs/dbraw/zinc/24/63/29/1069246329.db2.gz WMUXIPYEQGINLI-SFHVURJKSA-N 1 0 403.531 -0.749 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944680 1069247605 /nfs/dbraw/zinc/24/76/05/1069247605.db2.gz OYQKONAFYHTLAY-CALCHBBNSA-N 1 0 417.558 -0.076 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944681 1069247379 /nfs/dbraw/zinc/24/73/79/1069247379.db2.gz OYQKONAFYHTLAY-IAGOWNOFSA-N 1 0 417.558 -0.076 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944682 1069247221 /nfs/dbraw/zinc/24/72/21/1069247221.db2.gz OYQKONAFYHTLAY-IRXDYDNUSA-N 1 0 417.558 -0.076 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000532954931 1069386081 /nfs/dbraw/zinc/38/60/81/1069386081.db2.gz FAVSVHCVDHJYGE-UHFFFAOYSA-N 1 0 400.476 -0.274 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957187 1069248632 /nfs/dbraw/zinc/24/86/32/1069248632.db2.gz PUHKPORFNKLEIF-KBPBESRZSA-N 1 0 407.515 -0.330 20 0 HBADRO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957188 1069248518 /nfs/dbraw/zinc/24/85/18/1069248518.db2.gz PUHKPORFNKLEIF-OKILXGFUSA-N 1 0 407.515 -0.330 20 0 HBADRO C[C@@H]1C[NH+](CC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000532957189 1069248762 /nfs/dbraw/zinc/24/87/62/1069248762.db2.gz PUHKPORFNKLEIF-ZIAGYGMSSA-N 1 0 407.515 -0.330 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN(C[C@@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000532959278 1069249451 /nfs/dbraw/zinc/24/94/51/1069249451.db2.gz BUKPSWAJBZNTFZ-KRWDZBQOSA-N 1 0 417.558 -0.074 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000532959279 1069249150 /nfs/dbraw/zinc/24/91/50/1069249150.db2.gz BUKPSWAJBZNTFZ-QGZVFWFLSA-N 1 0 417.558 -0.074 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(=O)[nH]c1=O ZINC000532960319 1069249056 /nfs/dbraw/zinc/24/90/56/1069249056.db2.gz MFFWIJGOVQIDGR-HNNXBMFYSA-N 1 0 422.530 -0.538 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(=O)[nH]c1=O ZINC000532960321 1069249090 /nfs/dbraw/zinc/24/90/90/1069249090.db2.gz MFFWIJGOVQIDGR-OAHLLOKOSA-N 1 0 422.530 -0.538 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000532963365 1069247521 /nfs/dbraw/zinc/24/75/21/1069247521.db2.gz CIZQHQYHCLOLTE-UHFFFAOYSA-N 1 0 415.487 -0.210 20 0 HBADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(N)(=O)=O)CC1 ZINC000532965238 1069248086 /nfs/dbraw/zinc/24/80/86/1069248086.db2.gz GUKQTFRIJWOSSK-INIZCTEOSA-N 1 0 409.556 -0.023 20 0 HBADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(N)(=O)=O)CC1 ZINC000532965239 1069247983 /nfs/dbraw/zinc/24/79/83/1069247983.db2.gz GUKQTFRIJWOSSK-MRXNPFEDSA-N 1 0 409.556 -0.023 20 0 HBADRO C[N@H+](CCCO)C1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532976191 1069250220 /nfs/dbraw/zinc/25/02/20/1069250220.db2.gz AXFOQGPJEBMJQG-UHFFFAOYSA-N 1 0 412.556 -0.229 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[NH+](CC3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000532979549 1069250198 /nfs/dbraw/zinc/25/01/98/1069250198.db2.gz OCHAOQRCHBMWMY-UHFFFAOYSA-N 1 0 409.487 -0.596 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[N@H+](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000532981152 1069249946 /nfs/dbraw/zinc/24/99/46/1069249946.db2.gz ACVSIKIKLVQAJH-AWEZNQCLSA-N 1 0 410.519 -0.054 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[N@H+](C)C[C@H]2C)c(=O)[nH]c1=O ZINC000532981153 1069250091 /nfs/dbraw/zinc/25/00/91/1069250091.db2.gz ACVSIKIKLVQAJH-CQSZACIVSA-N 1 0 410.519 -0.054 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532986463 1069250511 /nfs/dbraw/zinc/25/05/11/1069250511.db2.gz TUYJDHVHEVYYBQ-INIZCTEOSA-N 1 0 403.531 -0.466 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532986464 1069250477 /nfs/dbraw/zinc/25/04/77/1069250477.db2.gz TUYJDHVHEVYYBQ-MRXNPFEDSA-N 1 0 403.531 -0.466 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)CC1 ZINC000532986757 1069250882 /nfs/dbraw/zinc/25/08/82/1069250882.db2.gz KOCXBCJQVFFIAE-CABCVRRESA-N 1 0 406.531 -0.662 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)CC1 ZINC000532986758 1069250574 /nfs/dbraw/zinc/25/05/74/1069250574.db2.gz KOCXBCJQVFFIAE-GJZGRUSLSA-N 1 0 406.531 -0.662 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)CC1 ZINC000532986759 1069250679 /nfs/dbraw/zinc/25/06/79/1069250679.db2.gz KOCXBCJQVFFIAE-HUUCEWRRSA-N 1 0 406.531 -0.662 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)CC1 ZINC000532986760 1069250540 /nfs/dbraw/zinc/25/05/40/1069250540.db2.gz KOCXBCJQVFFIAE-LSDHHAIUSA-N 1 0 406.531 -0.662 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000532986794 1069250612 /nfs/dbraw/zinc/25/06/12/1069250612.db2.gz UORSCYSMEXFXMS-KRWDZBQOSA-N 1 0 417.558 -0.076 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000532986795 1069250762 /nfs/dbraw/zinc/25/07/62/1069250762.db2.gz UORSCYSMEXFXMS-QGZVFWFLSA-N 1 0 417.558 -0.076 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000532997616 1069252030 /nfs/dbraw/zinc/25/20/30/1069252030.db2.gz YFIPRNFIFPSALJ-GASCZTMLSA-N 1 0 420.514 -0.085 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000532997617 1069251773 /nfs/dbraw/zinc/25/17/73/1069251773.db2.gz YFIPRNFIFPSALJ-GJZGRUSLSA-N 1 0 420.514 -0.085 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000532997618 1069252142 /nfs/dbraw/zinc/25/21/42/1069252142.db2.gz YFIPRNFIFPSALJ-HUUCEWRRSA-N 1 0 420.514 -0.085 20 0 HBADRO Cc1cc(NC(=O)C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)no1 ZINC000533029395 1069254688 /nfs/dbraw/zinc/25/46/88/1069254688.db2.gz DALVJUHRQZZMHS-UHFFFAOYSA-N 1 0 420.514 -0.134 20 0 HBADRO NC(=O)c1ccc(N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 ZINC000533036954 1069254338 /nfs/dbraw/zinc/25/43/38/1069254338.db2.gz SXHUJIDOCFDYGC-UHFFFAOYSA-N 1 0 424.509 -0.169 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000533055472 1069255959 /nfs/dbraw/zinc/25/59/59/1069255959.db2.gz LAGVWOBIALYYPH-KRWDZBQOSA-N 1 0 407.559 -0.058 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000533055481 1069256129 /nfs/dbraw/zinc/25/61/29/1069256129.db2.gz LAGVWOBIALYYPH-QGZVFWFLSA-N 1 0 407.559 -0.058 20 0 HBADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000533055936 1069255514 /nfs/dbraw/zinc/25/55/14/1069255514.db2.gz YOEPFBCQNWXBRI-AEFFLSMTSA-N 1 0 407.559 -0.025 20 0 HBADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000533055937 1069255229 /nfs/dbraw/zinc/25/52/29/1069255229.db2.gz YOEPFBCQNWXBRI-FUHWJXTLSA-N 1 0 407.559 -0.025 20 0 HBADRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000533055938 1069255579 /nfs/dbraw/zinc/25/55/79/1069255579.db2.gz YOEPFBCQNWXBRI-SJLPKXTDSA-N 1 0 407.559 -0.025 20 0 HBADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000533055939 1069255365 /nfs/dbraw/zinc/25/53/65/1069255365.db2.gz YOEPFBCQNWXBRI-WMZOPIPTSA-N 1 0 407.559 -0.025 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533059493 1069258311 /nfs/dbraw/zinc/25/83/11/1069258311.db2.gz KGZRKDKGZLPWJJ-HOTGVXAUSA-N 1 0 410.606 -0.350 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000533059494 1069258263 /nfs/dbraw/zinc/25/82/63/1069258263.db2.gz KGZRKDKGZLPWJJ-HZPDHXFCSA-N 1 0 410.606 -0.350 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533059495 1069258629 /nfs/dbraw/zinc/25/86/29/1069258629.db2.gz KGZRKDKGZLPWJJ-PHZGNYQRSA-N 1 0 410.606 -0.350 20 0 HBADRO CCc1c(C(=O)NCCCC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000533121353 1069263582 /nfs/dbraw/zinc/26/35/82/1069263582.db2.gz KAARJHBODBJFJX-UHFFFAOYSA-N 1 0 416.526 -0.048 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000533133207 1069264153 /nfs/dbraw/zinc/26/41/53/1069264153.db2.gz ZQCVPQZGYDYTSW-INIZCTEOSA-N 1 0 415.560 -0.394 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000533133208 1069264611 /nfs/dbraw/zinc/26/46/11/1069264611.db2.gz ZQCVPQZGYDYTSW-MRXNPFEDSA-N 1 0 415.560 -0.394 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1=O ZINC000533135285 1069264519 /nfs/dbraw/zinc/26/45/19/1069264519.db2.gz NMQPEOWSUGBHOL-HNNXBMFYSA-N 1 0 422.482 -0.441 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1=O ZINC000533135286 1069264733 /nfs/dbraw/zinc/26/47/33/1069264733.db2.gz NMQPEOWSUGBHOL-OAHLLOKOSA-N 1 0 422.482 -0.441 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1=O ZINC000533154857 1069397553 /nfs/dbraw/zinc/39/75/53/1069397553.db2.gz UZTUHRJAZCDDEC-GOSISDBHSA-N 1 0 410.496 -0.097 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1=O ZINC000533154858 1069265612 /nfs/dbraw/zinc/26/56/12/1069265612.db2.gz UZTUHRJAZCDDEC-SFHVURJKSA-N 1 0 410.496 -0.097 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1=O ZINC000533156323 1069265742 /nfs/dbraw/zinc/26/57/42/1069265742.db2.gz MRFCGGPHEQVLKW-UHFFFAOYSA-N 1 0 422.482 -0.345 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000533156904 1069265068 /nfs/dbraw/zinc/26/50/68/1069265068.db2.gz MZNTVQHFQRBZJF-DJIMGWMZSA-N 1 0 418.498 -0.427 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000533156905 1069265257 /nfs/dbraw/zinc/26/52/57/1069265257.db2.gz MZNTVQHFQRBZJF-OIISXLGYSA-N 1 0 418.498 -0.427 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000533156906 1069265336 /nfs/dbraw/zinc/26/53/36/1069265336.db2.gz MZNTVQHFQRBZJF-UAGQMJEPSA-N 1 0 418.498 -0.427 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000533156907 1069265137 /nfs/dbraw/zinc/26/51/37/1069265137.db2.gz MZNTVQHFQRBZJF-USXIJHARSA-N 1 0 418.498 -0.427 20 0 HBADRO COC(=O)c1csc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000533206282 1069266800 /nfs/dbraw/zinc/26/68/00/1069266800.db2.gz AMRPIIUZISNTHL-UHFFFAOYSA-N 1 0 422.467 -0.014 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[NH+](CC)CC2)c(=O)[nH]c1=O ZINC000533225241 1069267721 /nfs/dbraw/zinc/26/77/21/1069267721.db2.gz BOCRUCSXEYPKOW-UHFFFAOYSA-N 1 0 410.519 -0.052 20 0 HBADRO CCOCCCNC(=O)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000533239611 1069268453 /nfs/dbraw/zinc/26/84/53/1069268453.db2.gz MGXZRCDJAOXJPI-UHFFFAOYSA-N 1 0 420.514 -0.312 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O)c(=O)n2C ZINC000533247242 1069270362 /nfs/dbraw/zinc/27/03/62/1069270362.db2.gz FVCNQAWDIMNPEN-CYBMUJFWSA-N 1 0 412.516 -0.773 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O)c(=O)n2C ZINC000533247243 1069270131 /nfs/dbraw/zinc/27/01/31/1069270131.db2.gz FVCNQAWDIMNPEN-ZDUSSCGKSA-N 1 0 412.516 -0.773 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)c(=O)n2C ZINC000533263003 1069271058 /nfs/dbraw/zinc/27/10/58/1069271058.db2.gz DDLPBIMAYYOTTN-AWEZNQCLSA-N 1 0 420.539 -0.136 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)c(=O)n2C ZINC000533263004 1069271478 /nfs/dbraw/zinc/27/14/78/1069271478.db2.gz DDLPBIMAYYOTTN-CQSZACIVSA-N 1 0 420.539 -0.136 20 0 HBADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533270693 1069270196 /nfs/dbraw/zinc/27/01/96/1069270196.db2.gz HWUFVDXVRJGJMN-KBPBESRZSA-N 1 0 400.487 -0.402 20 0 HBADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533270695 1069270026 /nfs/dbraw/zinc/27/00/26/1069270026.db2.gz HWUFVDXVRJGJMN-KGLIPLIRSA-N 1 0 400.487 -0.402 20 0 HBADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533270697 1069270329 /nfs/dbraw/zinc/27/03/29/1069270329.db2.gz HWUFVDXVRJGJMN-UONOGXRCSA-N 1 0 400.487 -0.402 20 0 HBADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533270698 1069271012 /nfs/dbraw/zinc/27/10/12/1069271012.db2.gz HWUFVDXVRJGJMN-ZIAGYGMSSA-N 1 0 400.487 -0.402 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000533276321 1069270934 /nfs/dbraw/zinc/27/09/34/1069270934.db2.gz YRACWYQEVKIVKL-UHFFFAOYSA-N 1 0 418.466 -0.134 20 0 HBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000533277133 1069270809 /nfs/dbraw/zinc/27/08/09/1069270809.db2.gz MZOZJESPQUZQOG-HNNXBMFYSA-N 1 0 412.556 -0.230 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000533277200 1069411928 /nfs/dbraw/zinc/41/19/28/1069411928.db2.gz MZOZJESPQUZQOG-OAHLLOKOSA-N 1 0 412.556 -0.230 20 0 HBADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533279093 1069270865 /nfs/dbraw/zinc/27/08/65/1069270865.db2.gz CRKBOUNMCDYFKJ-INIZCTEOSA-N 1 0 408.524 -0.023 20 0 HBADRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000533279094 1069270772 /nfs/dbraw/zinc/27/07/72/1069270772.db2.gz CRKBOUNMCDYFKJ-MRXNPFEDSA-N 1 0 408.524 -0.023 20 0 HBADRO CCCNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000533282045 1072170380 /nfs/dbraw/zinc/17/03/80/1072170380.db2.gz KLGOGWAJYMTFEE-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000533282320 1069271750 /nfs/dbraw/zinc/27/17/50/1069271750.db2.gz KAJLIEPZBORTJE-CABCVRRESA-N 1 0 406.531 -0.661 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000533282321 1069271401 /nfs/dbraw/zinc/27/14/01/1069271401.db2.gz KAJLIEPZBORTJE-GJZGRUSLSA-N 1 0 406.531 -0.661 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000533282322 1069271618 /nfs/dbraw/zinc/27/16/18/1069271618.db2.gz KAJLIEPZBORTJE-HUUCEWRRSA-N 1 0 406.531 -0.661 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000533282323 1069271811 /nfs/dbraw/zinc/27/18/11/1069271811.db2.gz KAJLIEPZBORTJE-LSDHHAIUSA-N 1 0 406.531 -0.661 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000533284481 1069271673 /nfs/dbraw/zinc/27/16/73/1069271673.db2.gz HJARIGAFVHAJMW-UHFFFAOYSA-N 1 0 411.524 -0.208 20 0 HBADRO Cn1c(=O)c(C(=O)C[NH2+]C2(CO)CCOCC2)c(N)n(Cc2ccccc2)c1=O ZINC000533284542 1069272146 /nfs/dbraw/zinc/27/21/46/1069272146.db2.gz QJNBBCPAOCARQN-UHFFFAOYSA-N 1 0 402.451 -0.509 20 0 HBADRO O=C(CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000533287578 1069272276 /nfs/dbraw/zinc/27/22/76/1069272276.db2.gz ZPNUDCPBQZXYAP-UHFFFAOYSA-N 1 0 405.499 -0.977 20 0 HBADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCOCC1 ZINC000533287690 1069272175 /nfs/dbraw/zinc/27/21/75/1069272175.db2.gz WHSVSQJKKBEUMD-UHFFFAOYSA-N 1 0 412.512 -0.827 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CCC([N@H+](C)CCCO)CC2)c(=O)n(C)c1=O ZINC000533298262 1069274570 /nfs/dbraw/zinc/27/45/70/1069274570.db2.gz MGQQMKUTJKIEMH-UHFFFAOYSA-N 1 0 409.531 -0.254 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000533317398 1069275804 /nfs/dbraw/zinc/27/58/04/1069275804.db2.gz CDIMLGPAHSSCOL-UHFFFAOYSA-N 1 0 420.514 -0.034 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000533319379 1069274758 /nfs/dbraw/zinc/27/47/58/1069274758.db2.gz GAQUJAXXDOTFAI-INIZCTEOSA-N 1 0 418.498 -0.375 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000533319380 1069274671 /nfs/dbraw/zinc/27/46/71/1069274671.db2.gz GAQUJAXXDOTFAI-MRXNPFEDSA-N 1 0 418.498 -0.375 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cn1 ZINC000533319578 1069274849 /nfs/dbraw/zinc/27/48/49/1069274849.db2.gz VCLTUMODDFSVPC-UHFFFAOYSA-N 1 0 401.427 -0.680 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000533319665 1069275777 /nfs/dbraw/zinc/27/57/77/1069275777.db2.gz MFIITUMIVAYMTA-HOTGVXAUSA-N 1 0 419.530 -0.415 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000533319666 1069275850 /nfs/dbraw/zinc/27/58/50/1069275850.db2.gz MFIITUMIVAYMTA-HZPDHXFCSA-N 1 0 419.530 -0.415 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000533319667 1069276032 /nfs/dbraw/zinc/27/60/32/1069276032.db2.gz MFIITUMIVAYMTA-IYBDPMFKSA-N 1 0 419.530 -0.415 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000533320028 1069543690 /nfs/dbraw/zinc/54/36/90/1069543690.db2.gz KJSMUKGICPHDSH-KRWDZBQOSA-N 1 0 422.530 -0.277 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000533320029 1069543897 /nfs/dbraw/zinc/54/38/97/1069543897.db2.gz KJSMUKGICPHDSH-QGZVFWFLSA-N 1 0 422.530 -0.277 20 0 HBADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533379891 1069279412 /nfs/dbraw/zinc/27/94/12/1069279412.db2.gz FXXRVXQHCGDRMU-DLBZAZTESA-N 1 0 407.492 -0.240 20 0 HBADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533379892 1069279356 /nfs/dbraw/zinc/27/93/56/1069279356.db2.gz FXXRVXQHCGDRMU-IAGOWNOFSA-N 1 0 407.492 -0.240 20 0 HBADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533379893 1069279579 /nfs/dbraw/zinc/27/95/79/1069279579.db2.gz FXXRVXQHCGDRMU-IRXDYDNUSA-N 1 0 407.492 -0.240 20 0 HBADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533379895 1069279401 /nfs/dbraw/zinc/27/94/01/1069279401.db2.gz FXXRVXQHCGDRMU-SJORKVTESA-N 1 0 407.492 -0.240 20 0 HBADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533380010 1069279372 /nfs/dbraw/zinc/27/93/72/1069279372.db2.gz BSBNREBKFSJRMA-DLBZAZTESA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533380011 1069279559 /nfs/dbraw/zinc/27/95/59/1069279559.db2.gz BSBNREBKFSJRMA-IAGOWNOFSA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533380012 1069279630 /nfs/dbraw/zinc/27/96/30/1069279630.db2.gz BSBNREBKFSJRMA-IRXDYDNUSA-N 1 0 418.537 -0.444 20 0 HBADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533380014 1069279469 /nfs/dbraw/zinc/27/94/69/1069279469.db2.gz BSBNREBKFSJRMA-SJORKVTESA-N 1 0 418.537 -0.444 20 0 HBADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533380166 1069278967 /nfs/dbraw/zinc/27/89/67/1069278967.db2.gz INDPBXBEUCICLO-ATZDWAIDSA-N 1 0 414.524 -0.088 20 0 HBADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533380170 1069279068 /nfs/dbraw/zinc/27/90/68/1069279068.db2.gz INDPBXBEUCICLO-AYOQOUSVSA-N 1 0 414.524 -0.088 20 0 HBADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533380171 1069279596 /nfs/dbraw/zinc/27/95/96/1069279596.db2.gz INDPBXBEUCICLO-LZQZEXGQSA-N 1 0 414.524 -0.088 20 0 HBADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533380172 1069279529 /nfs/dbraw/zinc/27/95/29/1069279529.db2.gz INDPBXBEUCICLO-MNEFBYGVSA-N 1 0 414.524 -0.088 20 0 HBADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000533381358 1069280143 /nfs/dbraw/zinc/28/01/43/1069280143.db2.gz OQPVKXJTRRREKJ-AWEZNQCLSA-N 1 0 404.514 -0.324 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000533381359 1069280671 /nfs/dbraw/zinc/28/06/71/1069280671.db2.gz OQPVKXJTRRREKJ-CQSZACIVSA-N 1 0 404.514 -0.324 20 0 HBADRO CCN(C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1)S(C)(=O)=O ZINC000533384557 1069282194 /nfs/dbraw/zinc/28/21/94/1069282194.db2.gz HQVAKJKVLSKJIT-UHFFFAOYSA-N 1 0 412.516 -0.820 20 0 HBADRO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000533386390 1069282575 /nfs/dbraw/zinc/28/25/75/1069282575.db2.gz VONAWTMAFSIRTD-KRWDZBQOSA-N 1 0 418.494 -0.046 20 0 HBADRO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000533386392 1069282649 /nfs/dbraw/zinc/28/26/49/1069282649.db2.gz VONAWTMAFSIRTD-QGZVFWFLSA-N 1 0 418.494 -0.046 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C(=O)N(C)C)CC1 ZINC000533386989 1068251515 /nfs/dbraw/zinc/25/15/15/1068251515.db2.gz PVSRIDOAQPOBOS-UHFFFAOYSA-N 1 0 415.516 -0.419 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000533413550 1069283713 /nfs/dbraw/zinc/28/37/13/1069283713.db2.gz XUXMCWJWYHXJFO-UHFFFAOYSA-N 1 0 424.523 -0.210 20 0 HBADRO CC(C)(O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000533413926 1069283749 /nfs/dbraw/zinc/28/37/49/1069283749.db2.gz BSTAWHIURQLICM-UHFFFAOYSA-N 1 0 424.567 -0.092 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000533428440 1069285332 /nfs/dbraw/zinc/28/53/32/1069285332.db2.gz RUTMSHPKWUDONP-KRWDZBQOSA-N 1 0 410.540 -0.353 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000533428441 1069285453 /nfs/dbraw/zinc/28/54/53/1069285453.db2.gz RUTMSHPKWUDONP-QGZVFWFLSA-N 1 0 410.540 -0.353 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CC[NH+](CC3CCOCC3)CC1)c(=O)n2C ZINC000533438737 1069284828 /nfs/dbraw/zinc/28/48/28/1069284828.db2.gz OEAWCBVHTNJCKL-UHFFFAOYSA-N 1 0 404.515 -0.132 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(=O)[nH]c1=O ZINC000533445646 1069287419 /nfs/dbraw/zinc/28/74/19/1069287419.db2.gz GCSARCMSNFHMKS-HNNXBMFYSA-N 1 0 422.530 -0.540 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(=O)[nH]c1=O ZINC000533445649 1068263390 /nfs/dbraw/zinc/26/33/90/1068263390.db2.gz GCSARCMSNFHMKS-OAHLLOKOSA-N 1 0 422.530 -0.540 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC000533455301 1069545289 /nfs/dbraw/zinc/54/52/89/1069545289.db2.gz ZITHLAKSYCYHLJ-UHFFFAOYSA-N 1 0 423.495 -0.018 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000533455678 1069287006 /nfs/dbraw/zinc/28/70/06/1069287006.db2.gz CRWCIGJUCFMCLZ-GOSISDBHSA-N 1 0 422.530 -0.637 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000533455680 1069287088 /nfs/dbraw/zinc/28/70/88/1069287088.db2.gz CRWCIGJUCFMCLZ-SFHVURJKSA-N 1 0 422.530 -0.637 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000533456158 1069286935 /nfs/dbraw/zinc/28/69/35/1069286935.db2.gz YWACHHGYCGCUJQ-INIZCTEOSA-N 1 0 405.503 -0.804 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000533456159 1068264162 /nfs/dbraw/zinc/26/41/62/1068264162.db2.gz YWACHHGYCGCUJQ-MRXNPFEDSA-N 1 0 405.503 -0.804 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)n1 ZINC000533456340 1069545470 /nfs/dbraw/zinc/54/54/70/1069545470.db2.gz IAEWXHDXHUJQPQ-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000533457459 1069286845 /nfs/dbraw/zinc/28/68/45/1069286845.db2.gz QRKWCAVJIIEEHJ-GOSISDBHSA-N 1 0 422.530 -0.277 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000533457460 1069287492 /nfs/dbraw/zinc/28/74/92/1069287492.db2.gz QRKWCAVJIIEEHJ-SFHVURJKSA-N 1 0 422.530 -0.277 20 0 HBADRO O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000533460524 1069288080 /nfs/dbraw/zinc/28/80/80/1069288080.db2.gz JUGZKCUEAFTSKD-UHFFFAOYSA-N 1 0 415.435 -0.305 20 0 HBADRO Cn1c(C(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc2c1n(C)c(=O)n(C)c2=O ZINC000533478362 1069287595 /nfs/dbraw/zinc/28/75/95/1069287595.db2.gz RDNIZXFFDKNNBX-INWMFGNUSA-N 1 0 403.483 -0.101 20 0 HBADRO Cn1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc2c1n(C)c(=O)n(C)c2=O ZINC000533478372 1069287445 /nfs/dbraw/zinc/28/74/45/1069287445.db2.gz RDNIZXFFDKNNBX-IVMMDQJWSA-N 1 0 403.483 -0.101 20 0 HBADRO Cn1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc2c1n(C)c(=O)n(C)c2=O ZINC000533478374 1069288269 /nfs/dbraw/zinc/28/82/69/1069288269.db2.gz RDNIZXFFDKNNBX-XNRPHZJLSA-N 1 0 403.483 -0.101 20 0 HBADRO Cn1c(C(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc2c1n(C)c(=O)n(C)c2=O ZINC000533478375 1069288115 /nfs/dbraw/zinc/28/81/15/1069288115.db2.gz RDNIZXFFDKNNBX-XPKDYRNWSA-N 1 0 403.483 -0.101 20 0 HBADRO COC(=O)CCC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000533481716 1069289218 /nfs/dbraw/zinc/28/92/18/1069289218.db2.gz ULRUADTXTJVWAW-UHFFFAOYSA-N 1 0 424.542 -0.345 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495011 1069289521 /nfs/dbraw/zinc/28/95/21/1069289521.db2.gz OBTANJMSMUOFOB-DLBZAZTESA-N 1 0 404.577 -0.279 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495018 1069289311 /nfs/dbraw/zinc/28/93/11/1069289311.db2.gz OBTANJMSMUOFOB-IRXDYDNUSA-N 1 0 404.577 -0.279 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000533496085 1069289494 /nfs/dbraw/zinc/28/94/94/1069289494.db2.gz UIJOIMLPOUFHTJ-KRWDZBQOSA-N 1 0 418.542 -0.225 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000533496088 1069289391 /nfs/dbraw/zinc/28/93/91/1069289391.db2.gz UIJOIMLPOUFHTJ-QGZVFWFLSA-N 1 0 418.542 -0.225 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000533515514 1069291466 /nfs/dbraw/zinc/29/14/66/1069291466.db2.gz SVGSERJMKNDKLL-UHFFFAOYSA-N 1 0 423.539 -0.167 20 0 HBADRO CNC(=O)NC(=O)CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000533517835 1069292581 /nfs/dbraw/zinc/29/25/81/1069292581.db2.gz QCLHLCIPYKLVMH-UHFFFAOYSA-N 1 0 411.528 -0.263 20 0 HBADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000533528252 1069291755 /nfs/dbraw/zinc/29/17/55/1069291755.db2.gz KZCRCTKBMJHPQW-INIZCTEOSA-N 1 0 411.528 -0.189 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000533528253 1069292049 /nfs/dbraw/zinc/29/20/49/1069292049.db2.gz KZCRCTKBMJHPQW-MRXNPFEDSA-N 1 0 411.528 -0.189 20 0 HBADRO CN(C)C(=O)[C@@H]1C[N@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000533540572 1069294192 /nfs/dbraw/zinc/29/41/92/1069294192.db2.gz SHNUGRVRIHQBOJ-FQEVSTJZSA-N 1 0 411.591 -0.495 20 0 HBADRO CN(C)C(=O)[C@H]1C[N@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000533540573 1069294331 /nfs/dbraw/zinc/29/43/31/1069294331.db2.gz SHNUGRVRIHQBOJ-HXUWFJFHSA-N 1 0 411.591 -0.495 20 0 HBADRO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000533594552 1069298516 /nfs/dbraw/zinc/29/85/16/1069298516.db2.gz NQVQHHADBUTKSP-AWEZNQCLSA-N 1 0 403.439 -0.055 20 0 HBADRO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000533594553 1069298587 /nfs/dbraw/zinc/29/85/87/1069298587.db2.gz NQVQHHADBUTKSP-CQSZACIVSA-N 1 0 403.439 -0.055 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000533595384 1069299231 /nfs/dbraw/zinc/29/92/31/1069299231.db2.gz KZHJDRZXOBROCI-HNNXBMFYSA-N 1 0 422.482 -0.177 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000533595385 1069299004 /nfs/dbraw/zinc/29/90/04/1069299004.db2.gz KZHJDRZXOBROCI-OAHLLOKOSA-N 1 0 422.482 -0.177 20 0 HBADRO COCCn1nc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000533612193 1069299742 /nfs/dbraw/zinc/29/97/42/1069299742.db2.gz VJQINGSDBJNQRE-HNNXBMFYSA-N 1 0 408.503 -0.212 20 0 HBADRO COCCn1nc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000533612194 1069299628 /nfs/dbraw/zinc/29/96/28/1069299628.db2.gz VJQINGSDBJNQRE-OAHLLOKOSA-N 1 0 408.503 -0.212 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000533644589 1069301399 /nfs/dbraw/zinc/30/13/99/1069301399.db2.gz YFYXAGAUODLLLT-FQEVSTJZSA-N 1 0 406.483 -0.036 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000533644593 1069301292 /nfs/dbraw/zinc/30/12/92/1069301292.db2.gz YFYXAGAUODLLLT-HXUWFJFHSA-N 1 0 406.483 -0.036 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1)N1CCOCC1 ZINC000533670095 1069740056 /nfs/dbraw/zinc/74/00/56/1069740056.db2.gz NYPCZMFUPVITPX-IBGZPJMESA-N 1 0 408.543 -0.262 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1)N1CCOCC1 ZINC000533670097 1069740394 /nfs/dbraw/zinc/74/03/94/1069740394.db2.gz NYPCZMFUPVITPX-LJQANCHMSA-N 1 0 408.543 -0.262 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)cnc21 ZINC000533690448 1068342607 /nfs/dbraw/zinc/34/26/07/1068342607.db2.gz VYRUFJSIPSKUGZ-UHFFFAOYSA-N 1 0 420.451 -0.442 20 0 HBADRO COc1cccc(Cn2nccc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1OC ZINC000533777327 1069318132 /nfs/dbraw/zinc/31/81/32/1069318132.db2.gz NQVYSZDFVKDUNF-AWEZNQCLSA-N 1 0 405.455 -0.074 20 0 HBADRO COc1cccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1OC ZINC000533777330 1069318093 /nfs/dbraw/zinc/31/80/93/1069318093.db2.gz NQVYSZDFVKDUNF-CQSZACIVSA-N 1 0 405.455 -0.074 20 0 HBADRO Cn1c2ncn(CCC(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000533777370 1069318373 /nfs/dbraw/zinc/31/83/73/1069318373.db2.gz OGQJOUYMKYWLPG-UHFFFAOYSA-N 1 0 415.454 -0.814 20 0 HBADRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000533781483 1068363938 /nfs/dbraw/zinc/36/39/38/1068363938.db2.gz XDQDMTVKNZLNTL-UHFFFAOYSA-N 1 0 412.450 -0.084 20 0 HBADRO Cc1c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000533782331 1069318331 /nfs/dbraw/zinc/31/83/31/1069318331.db2.gz IBKOQGVNSAFQPM-UHFFFAOYSA-N 1 0 412.450 -0.084 20 0 HBADRO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C2=O ZINC000533799803 1069319168 /nfs/dbraw/zinc/31/91/68/1069319168.db2.gz WJXPIIRZUMMHGA-GJZGRUSLSA-N 1 0 407.515 -0.035 20 0 HBADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C2=O ZINC000533799804 1069319022 /nfs/dbraw/zinc/31/90/22/1069319022.db2.gz WJXPIIRZUMMHGA-HUUCEWRRSA-N 1 0 407.515 -0.035 20 0 HBADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C2=O ZINC000533799805 1069319320 /nfs/dbraw/zinc/31/93/20/1069319320.db2.gz WJXPIIRZUMMHGA-YVWYUNDQSA-N 1 0 407.515 -0.035 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cn1C ZINC000533805405 1069319595 /nfs/dbraw/zinc/31/95/95/1069319595.db2.gz KWMCFZJAUZKXOF-UHFFFAOYSA-N 1 0 410.500 -0.241 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000533812234 1068435008 /nfs/dbraw/zinc/43/50/08/1068435008.db2.gz AQYZRGIOLGMDAK-GOSISDBHSA-N 1 0 405.547 -0.009 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000533812236 1068434928 /nfs/dbraw/zinc/43/49/28/1068434928.db2.gz AQYZRGIOLGMDAK-SFHVURJKSA-N 1 0 405.547 -0.009 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000533813250 1069320033 /nfs/dbraw/zinc/32/00/33/1069320033.db2.gz WDUOYIHSZCLFMP-INIZCTEOSA-N 1 0 404.519 -0.762 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000533813255 1069320410 /nfs/dbraw/zinc/32/04/10/1069320410.db2.gz WDUOYIHSZCLFMP-MRXNPFEDSA-N 1 0 404.519 -0.762 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCNc3cc[nH+]cc3)CC2)cn1 ZINC000533814799 1069320004 /nfs/dbraw/zinc/32/00/04/1069320004.db2.gz GPDQPDHFFGHDGL-UHFFFAOYSA-N 1 0 407.500 -0.199 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000533814893 1069320514 /nfs/dbraw/zinc/32/05/14/1069320514.db2.gz OLCXIWZYCWLSES-UHFFFAOYSA-N 1 0 421.479 -0.071 20 0 HBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000533815949 1069320247 /nfs/dbraw/zinc/32/02/47/1069320247.db2.gz YFEGCWMOEHKSNY-UHFFFAOYSA-N 1 0 424.505 -0.013 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(OCCO)CC2)CC1 ZINC000533834380 1069322236 /nfs/dbraw/zinc/32/22/36/1069322236.db2.gz INNQNAIURJAZAR-UHFFFAOYSA-N 1 0 403.487 -0.515 20 0 HBADRO Cc1cc(NC(=O)CCN2CC[N@H+](CCC(=O)Nc3cc(C)on3)CC(O)C2)no1 ZINC000533865020 1069323798 /nfs/dbraw/zinc/32/37/98/1069323798.db2.gz GJKSUKOVEXAGLM-UHFFFAOYSA-N 1 0 420.470 -0.541 20 0 HBADRO CNC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cn1C ZINC000533911477 1069009025 /nfs/dbraw/zinc/00/90/25/1069009025.db2.gz FXUWLUGFZMFHSJ-AWEZNQCLSA-N 1 0 401.533 -0.245 20 0 HBADRO C[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccccc1 ZINC000533913818 1069384389 /nfs/dbraw/zinc/38/43/89/1069384389.db2.gz XVIWQWJXZIIPPJ-CVEARBPZSA-N 1 0 402.542 -0.157 20 0 HBADRO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccccc1 ZINC000533913827 1069384226 /nfs/dbraw/zinc/38/42/26/1069384226.db2.gz XVIWQWJXZIIPPJ-HOTGVXAUSA-N 1 0 402.542 -0.157 20 0 HBADRO C[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccccc1 ZINC000533913828 1069010042 /nfs/dbraw/zinc/01/00/42/1069010042.db2.gz XVIWQWJXZIIPPJ-HZPDHXFCSA-N 1 0 402.542 -0.157 20 0 HBADRO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccccc1 ZINC000533913833 1069010079 /nfs/dbraw/zinc/01/00/79/1069010079.db2.gz XVIWQWJXZIIPPJ-JKSUJKDBSA-N 1 0 402.542 -0.157 20 0 HBADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000533932965 1069581701 /nfs/dbraw/zinc/58/17/01/1069581701.db2.gz MFMFSLGKBADLGC-UHFFFAOYSA-N 1 0 409.531 -0.253 20 0 HBADRO CC(C)[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CCCS1(=O)=O ZINC000533933052 1069581872 /nfs/dbraw/zinc/58/18/72/1069581872.db2.gz NRXWXGNGWGNYIX-KRWDZBQOSA-N 1 0 404.577 -0.447 20 0 HBADRO CC(C)[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CCCS1(=O)=O ZINC000533933054 1069581754 /nfs/dbraw/zinc/58/17/54/1069581754.db2.gz NRXWXGNGWGNYIX-QGZVFWFLSA-N 1 0 404.577 -0.447 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000533933507 1069583520 /nfs/dbraw/zinc/58/35/20/1069583520.db2.gz URJUFBIICYUEIQ-KRWDZBQOSA-N 1 0 404.577 -0.446 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000533933512 1069583384 /nfs/dbraw/zinc/58/33/84/1069583384.db2.gz URJUFBIICYUEIQ-QGZVFWFLSA-N 1 0 404.577 -0.446 20 0 HBADRO CNC(=O)c1cccc(OCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000533936291 1069602926 /nfs/dbraw/zinc/60/29/26/1069602926.db2.gz DUXHTGZOQIASKQ-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000533978218 1071175378 /nfs/dbraw/zinc/17/53/78/1071175378.db2.gz KDJFQPBUPHRXHK-CYBMUJFWSA-N 1 0 403.476 -0.061 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000533978219 1071175204 /nfs/dbraw/zinc/17/52/04/1071175204.db2.gz KDJFQPBUPHRXHK-ZDUSSCGKSA-N 1 0 403.476 -0.061 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000533980829 1071179800 /nfs/dbraw/zinc/17/98/00/1071179800.db2.gz OWUXEVINKRTKBV-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000533980865 1071178897 /nfs/dbraw/zinc/17/88/97/1071178897.db2.gz QUPGOUUHQXCIFY-UHFFFAOYSA-N 1 0 419.592 -0.294 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000533981899 1071182369 /nfs/dbraw/zinc/18/23/69/1071182369.db2.gz HSZQMNPTWYEFJA-UHFFFAOYSA-N 1 0 407.606 -0.310 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000533982594 1071183032 /nfs/dbraw/zinc/18/30/32/1071183032.db2.gz WJKHEIJMWFWENF-UHFFFAOYSA-N 1 0 408.547 -0.511 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000533983100 1071183811 /nfs/dbraw/zinc/18/38/11/1071183811.db2.gz VSYTXKPKGOVNTR-HNNXBMFYSA-N 1 0 413.486 -0.221 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000533983103 1071183940 /nfs/dbraw/zinc/18/39/40/1071183940.db2.gz VSYTXKPKGOVNTR-OAHLLOKOSA-N 1 0 413.486 -0.221 20 0 HBADRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000533989065 1071194856 /nfs/dbraw/zinc/19/48/56/1071194856.db2.gz YNZZGNJZXWMLIC-UHFFFAOYSA-N 1 0 403.483 -0.141 20 0 HBADRO CC(C)C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(=O)NCC[NH+](C)C ZINC000534050637 1071197183 /nfs/dbraw/zinc/19/71/83/1071197183.db2.gz LPIMVSCIVITPIU-LBPRGKRZSA-N 1 0 421.502 -0.497 20 0 HBADRO CC(C)C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NCC[NH+](C)C ZINC000534050675 1071197220 /nfs/dbraw/zinc/19/72/20/1071197220.db2.gz NJJYNASCCHLMBO-HNNXBMFYSA-N 1 0 418.498 -0.546 20 0 HBADRO CC(C)C[C@H](NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C(=O)NCC[NH+](C)C ZINC000534050894 1071197194 /nfs/dbraw/zinc/19/71/94/1071197194.db2.gz FNILLNSOUOHDLF-HNNXBMFYSA-N 1 0 420.514 -0.753 20 0 HBADRO CC(C)C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)NCC[NH+](C)C ZINC000534051084 1071197215 /nfs/dbraw/zinc/19/72/15/1071197215.db2.gz SPBHKAJEXDGKQN-AWEZNQCLSA-N 1 0 404.471 -0.144 20 0 HBADRO CC(C)C[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)NCC[NH+](C)C ZINC000534051913 1071197188 /nfs/dbraw/zinc/19/71/88/1071197188.db2.gz BQAJGGOOCJCLGY-HNNXBMFYSA-N 1 0 418.498 -0.546 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[NH+](C)C ZINC000534053158 1071197211 /nfs/dbraw/zinc/19/72/11/1071197211.db2.gz RGNHQRWBVLFYQN-HIFRSBDPSA-N 1 0 416.548 -0.704 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[NH+](C)C ZINC000534053159 1071197234 /nfs/dbraw/zinc/19/72/34/1071197234.db2.gz RGNHQRWBVLFYQN-ZFWWWQNUSA-N 1 0 416.548 -0.704 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000534053943 1071197240 /nfs/dbraw/zinc/19/72/40/1071197240.db2.gz FTFYXMMHMFVIGV-UHFFFAOYSA-N 1 0 401.529 -0.030 20 0 HBADRO O=C(CN1CCC2(CC1)NC(=O)NC2=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000534099383 1071198726 /nfs/dbraw/zinc/19/87/26/1071198726.db2.gz VWCDDKTUPLDOAG-UHFFFAOYSA-N 1 0 407.515 -0.188 20 0 HBADRO CN1C(=O)NC2(CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)C1=O ZINC000534117249 1071200344 /nfs/dbraw/zinc/20/03/44/1071200344.db2.gz AGGWIGNKKJFJKP-UHFFFAOYSA-N 1 0 401.467 -0.093 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118182 1071200450 /nfs/dbraw/zinc/20/04/50/1071200450.db2.gz KVVQJDFDGXFCRN-AWEZNQCLSA-N 1 0 401.471 -0.470 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118190 1071200279 /nfs/dbraw/zinc/20/02/79/1071200279.db2.gz KVVQJDFDGXFCRN-CQSZACIVSA-N 1 0 401.471 -0.470 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534119546 1071200532 /nfs/dbraw/zinc/20/05/32/1071200532.db2.gz WZKBLCPZIVAYJT-UHFFFAOYSA-N 1 0 402.455 -0.048 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181610 1071203630 /nfs/dbraw/zinc/20/36/30/1071203630.db2.gz LNFIPKJAIXFCNP-MSOLQXFVSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181611 1071203340 /nfs/dbraw/zinc/20/33/40/1071203340.db2.gz LNFIPKJAIXFCNP-QZTJIDSGSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181614 1071203662 /nfs/dbraw/zinc/20/36/62/1071203662.db2.gz LNFIPKJAIXFCNP-ROUUACIJSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181615 1071203548 /nfs/dbraw/zinc/20/35/48/1071203548.db2.gz LNFIPKJAIXFCNP-ZWKOTPCHSA-N 1 0 413.540 -0.059 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nn1 ZINC000534181617 1071203616 /nfs/dbraw/zinc/20/36/16/1071203616.db2.gz LOBJQZNVBKHXAD-DLBZAZTESA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nn1 ZINC000534181623 1071203287 /nfs/dbraw/zinc/20/32/87/1071203287.db2.gz LOBJQZNVBKHXAD-IAGOWNOFSA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nn1 ZINC000534181624 1071203376 /nfs/dbraw/zinc/20/33/76/1071203376.db2.gz LOBJQZNVBKHXAD-IRXDYDNUSA-N 1 0 400.483 -0.021 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nn1 ZINC000534181626 1071203671 /nfs/dbraw/zinc/20/36/71/1071203671.db2.gz LOBJQZNVBKHXAD-SJORKVTESA-N 1 0 400.483 -0.021 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534181744 1071203585 /nfs/dbraw/zinc/20/35/85/1071203585.db2.gz CURZZFZQLJLRTH-CVEARBPZSA-N 1 0 407.496 -0.328 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534181745 1071203650 /nfs/dbraw/zinc/20/36/50/1071203650.db2.gz CURZZFZQLJLRTH-HOTGVXAUSA-N 1 0 407.496 -0.328 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534181746 1071203604 /nfs/dbraw/zinc/20/36/04/1071203604.db2.gz CURZZFZQLJLRTH-HZPDHXFCSA-N 1 0 407.496 -0.328 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534181747 1071203402 /nfs/dbraw/zinc/20/34/02/1071203402.db2.gz CURZZFZQLJLRTH-JKSUJKDBSA-N 1 0 407.496 -0.328 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000534181922 1071203567 /nfs/dbraw/zinc/20/35/67/1071203567.db2.gz KDNVHHMHPYKURY-MOPGFXCFSA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000534181923 1071203639 /nfs/dbraw/zinc/20/36/39/1071203639.db2.gz KDNVHHMHPYKURY-OALUTQOASA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000534181924 1071203696 /nfs/dbraw/zinc/20/36/96/1071203696.db2.gz KDNVHHMHPYKURY-RBUKOAKNSA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000534181925 1071203493 /nfs/dbraw/zinc/20/34/93/1071203493.db2.gz KDNVHHMHPYKURY-RTBURBONSA-N 1 0 424.567 -0.437 20 0 HBADRO CCN1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C(=O)C1=O ZINC000534182388 1071203685 /nfs/dbraw/zinc/20/36/85/1071203685.db2.gz LYJWYNOSBHZVRN-MSOLQXFVSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C(=O)C1=O ZINC000534182389 1071203455 /nfs/dbraw/zinc/20/34/55/1071203455.db2.gz LYJWYNOSBHZVRN-QZTJIDSGSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C(=O)C1=O ZINC000534182390 1071203524 /nfs/dbraw/zinc/20/35/24/1071203524.db2.gz LYJWYNOSBHZVRN-ROUUACIJSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C(=O)C1=O ZINC000534182391 1071204227 /nfs/dbraw/zinc/20/42/27/1071204227.db2.gz LYJWYNOSBHZVRN-ZWKOTPCHSA-N 1 0 402.495 -0.324 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534184041 1071204458 /nfs/dbraw/zinc/20/44/58/1071204458.db2.gz SCSSFYWCUWSQOF-MSOLQXFVSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534184042 1071204367 /nfs/dbraw/zinc/20/43/67/1071204367.db2.gz SCSSFYWCUWSQOF-QZTJIDSGSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534184043 1071204199 /nfs/dbraw/zinc/20/41/99/1071204199.db2.gz SCSSFYWCUWSQOF-ROUUACIJSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534184044 1071203922 /nfs/dbraw/zinc/20/39/22/1071203922.db2.gz SCSSFYWCUWSQOF-ZWKOTPCHSA-N 1 0 413.540 -0.059 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000534185350 1071204292 /nfs/dbraw/zinc/20/42/92/1071204292.db2.gz BPIWHIUOPPJNIZ-AEFFLSMTSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000534185351 1071204435 /nfs/dbraw/zinc/20/44/35/1071204435.db2.gz BPIWHIUOPPJNIZ-FUHWJXTLSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000534185352 1071204348 /nfs/dbraw/zinc/20/43/48/1071204348.db2.gz BPIWHIUOPPJNIZ-SJLPKXTDSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000534185353 1071204096 /nfs/dbraw/zinc/20/40/96/1071204096.db2.gz BPIWHIUOPPJNIZ-WMZOPIPTSA-N 1 0 421.523 -0.302 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000534185362 1071204316 /nfs/dbraw/zinc/20/43/16/1071204316.db2.gz MGAVJKWKKFSBAD-AEFFLSMTSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000534185378 1071204053 /nfs/dbraw/zinc/20/40/53/1071204053.db2.gz MGAVJKWKKFSBAD-FUHWJXTLSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000534185380 1071204477 /nfs/dbraw/zinc/20/44/77/1071204477.db2.gz MGAVJKWKKFSBAD-SJLPKXTDSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000534185382 1071203981 /nfs/dbraw/zinc/20/39/81/1071203981.db2.gz MGAVJKWKKFSBAD-WMZOPIPTSA-N 1 0 421.523 -0.080 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534186171 1071204157 /nfs/dbraw/zinc/20/41/57/1071204157.db2.gz QKJJRPNQJWPNKS-MSOLQXFVSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534186172 1071204255 /nfs/dbraw/zinc/20/42/55/1071204255.db2.gz QKJJRPNQJWPNKS-QZTJIDSGSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534186173 1071204416 /nfs/dbraw/zinc/20/44/16/1071204416.db2.gz QKJJRPNQJWPNKS-ROUUACIJSA-N 1 0 413.540 -0.059 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534186174 1071204492 /nfs/dbraw/zinc/20/44/92/1071204492.db2.gz QKJJRPNQJWPNKS-ZWKOTPCHSA-N 1 0 413.540 -0.059 20 0 HBADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000534190932 1071205109 /nfs/dbraw/zinc/20/51/09/1071205109.db2.gz YBLSZKVOJZCOCB-UHFFFAOYSA-N 1 0 424.479 -0.047 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534199686 1071204978 /nfs/dbraw/zinc/20/49/78/1071204978.db2.gz VXKDLZAJLUMYNV-MSOLQXFVSA-N 1 0 410.540 -0.685 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534199687 1071205120 /nfs/dbraw/zinc/20/51/20/1071205120.db2.gz VXKDLZAJLUMYNV-QZTJIDSGSA-N 1 0 410.540 -0.685 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534199688 1071204930 /nfs/dbraw/zinc/20/49/30/1071204930.db2.gz VXKDLZAJLUMYNV-ROUUACIJSA-N 1 0 410.540 -0.685 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534199689 1071205048 /nfs/dbraw/zinc/20/50/48/1071205048.db2.gz VXKDLZAJLUMYNV-ZWKOTPCHSA-N 1 0 410.540 -0.685 20 0 HBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534219170 1071205547 /nfs/dbraw/zinc/20/55/47/1071205547.db2.gz OEPLTAYVWZGCFA-UHFFFAOYSA-N 1 0 409.556 -0.208 20 0 HBADRO NC(=O)N[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000534228241 1071206447 /nfs/dbraw/zinc/20/64/47/1071206447.db2.gz YQOVUSQEIIGXCY-CYBMUJFWSA-N 1 0 413.475 -0.599 20 0 HBADRO NC(=O)N[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000534228242 1071206523 /nfs/dbraw/zinc/20/65/23/1071206523.db2.gz YQOVUSQEIIGXCY-ZDUSSCGKSA-N 1 0 413.475 -0.599 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccn1 ZINC000534241443 1071206403 /nfs/dbraw/zinc/20/64/03/1071206403.db2.gz GZYYMGPJPFZGJH-UHFFFAOYSA-N 1 0 418.498 -0.346 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccnc(OCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000534249332 1071207115 /nfs/dbraw/zinc/20/71/15/1071207115.db2.gz LYOJYPBIEVUSMH-UHFFFAOYSA-N 1 0 415.454 -0.915 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)ccn1 ZINC000534264870 1071207081 /nfs/dbraw/zinc/20/70/81/1071207081.db2.gz GTFUOWZRHDUPFB-CVEARBPZSA-N 1 0 424.523 -0.326 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)ccn1 ZINC000534264871 1071207734 /nfs/dbraw/zinc/20/77/34/1071207734.db2.gz GTFUOWZRHDUPFB-HOTGVXAUSA-N 1 0 424.523 -0.326 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)ccn1 ZINC000534264872 1071207681 /nfs/dbraw/zinc/20/76/81/1071207681.db2.gz GTFUOWZRHDUPFB-HZPDHXFCSA-N 1 0 424.523 -0.326 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)ccn1 ZINC000534264873 1071207793 /nfs/dbraw/zinc/20/77/93/1071207793.db2.gz GTFUOWZRHDUPFB-JKSUJKDBSA-N 1 0 424.523 -0.326 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000534270046 1071207855 /nfs/dbraw/zinc/20/78/55/1071207855.db2.gz BUDSFEGRQACUHG-UHFFFAOYSA-N 1 0 419.482 -0.419 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000534281105 1069644111 /nfs/dbraw/zinc/64/41/11/1069644111.db2.gz FOQULJJKVFUFNP-AWEZNQCLSA-N 1 0 418.498 -0.094 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000534281107 1069648560 /nfs/dbraw/zinc/64/85/60/1069648560.db2.gz FOQULJJKVFUFNP-CQSZACIVSA-N 1 0 418.498 -0.094 20 0 HBADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1=O ZINC000534401859 1071212521 /nfs/dbraw/zinc/21/25/21/1071212521.db2.gz QZGCBVSRNWCTPJ-UHFFFAOYSA-N 1 0 400.482 -0.142 20 0 HBADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(OC)c1 ZINC000534489848 1071216089 /nfs/dbraw/zinc/21/60/89/1071216089.db2.gz WLTYIKHVZNDBAC-AWEZNQCLSA-N 1 0 405.455 -0.074 20 0 HBADRO COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(OC)c1 ZINC000534489849 1071215997 /nfs/dbraw/zinc/21/59/97/1071215997.db2.gz WLTYIKHVZNDBAC-CQSZACIVSA-N 1 0 405.455 -0.074 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1=O ZINC000534517467 1071216739 /nfs/dbraw/zinc/21/67/39/1071216739.db2.gz KHUFMNUELZERJJ-UHFFFAOYSA-N 1 0 406.464 -0.079 20 0 HBADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000534521770 1071216828 /nfs/dbraw/zinc/21/68/28/1071216828.db2.gz KPOGBTSUCCKWMT-UHFFFAOYSA-N 1 0 403.464 -0.534 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534522048 1071216724 /nfs/dbraw/zinc/21/67/24/1071216724.db2.gz PPRQCUDORGNDCD-UHFFFAOYSA-N 1 0 405.480 -0.288 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000534522598 1071216560 /nfs/dbraw/zinc/21/65/60/1071216560.db2.gz SEBLZKZOXVDKBR-KRWDZBQOSA-N 1 0 400.487 -0.300 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000534522599 1071216801 /nfs/dbraw/zinc/21/68/01/1071216801.db2.gz SEBLZKZOXVDKBR-QGZVFWFLSA-N 1 0 400.487 -0.300 20 0 HBADRO Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000534540036 1071217291 /nfs/dbraw/zinc/21/72/91/1071217291.db2.gz KUNZEZYXYFKLFW-GOSISDBHSA-N 1 0 400.483 -0.044 20 0 HBADRO Cn1cc([C@H](CO)NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000534540039 1071217515 /nfs/dbraw/zinc/21/75/15/1071217515.db2.gz KUNZEZYXYFKLFW-SFHVURJKSA-N 1 0 400.483 -0.044 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000534541352 1071217370 /nfs/dbraw/zinc/21/73/70/1071217370.db2.gz LGKLYCXZPUCRSK-INIZCTEOSA-N 1 0 403.545 -0.017 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534541353 1071218240 /nfs/dbraw/zinc/21/82/40/1071218240.db2.gz LGKLYCXZPUCRSK-MRXNPFEDSA-N 1 0 403.545 -0.017 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000534558177 1071219472 /nfs/dbraw/zinc/21/94/72/1071219472.db2.gz LNVWILNGMKSJRV-DZGCQCFKSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000534558178 1071219599 /nfs/dbraw/zinc/21/95/99/1071219599.db2.gz LNVWILNGMKSJRV-HIFRSBDPSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000534558179 1071219309 /nfs/dbraw/zinc/21/93/09/1071219309.db2.gz LNVWILNGMKSJRV-UKRRQHHQSA-N 1 0 400.483 -0.091 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)c2c(=O)n(C)c1=O ZINC000534558312 1071219554 /nfs/dbraw/zinc/21/95/54/1071219554.db2.gz LNVWILNGMKSJRV-ZFWWWQNUSA-N 1 0 400.483 -0.091 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000534579924 1071219441 /nfs/dbraw/zinc/21/94/41/1071219441.db2.gz HHMTVUNHSWVXBX-JZWPEALZSA-N 1 0 418.542 -0.520 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000534579925 1071219632 /nfs/dbraw/zinc/21/96/32/1071219632.db2.gz HHMTVUNHSWVXBX-LSVZVQIISA-N 1 0 418.542 -0.520 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000534600853 1071220886 /nfs/dbraw/zinc/22/08/86/1071220886.db2.gz AWFIBHXXWUGAEP-UHFFFAOYSA-N 1 0 417.576 -0.004 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000534600979 1071221070 /nfs/dbraw/zinc/22/10/70/1071221070.db2.gz MVFNJYWBAXCRJN-INIZCTEOSA-N 1 0 415.560 -0.252 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000534600980 1071221110 /nfs/dbraw/zinc/22/11/10/1071221110.db2.gz MVFNJYWBAXCRJN-MRXNPFEDSA-N 1 0 415.560 -0.252 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000534601225 1071220093 /nfs/dbraw/zinc/22/00/93/1071220093.db2.gz DTVOTJTVFMZVCA-UHFFFAOYSA-N 1 0 415.560 -0.250 20 0 HBADRO COCCNc1nc(NCc2cnn(C)c2C)nc(NCc2cnn(C)c2C)[nH+]1 ZINC000534603119 1071221021 /nfs/dbraw/zinc/22/10/21/1071221021.db2.gz KXWKFYIYCXIFRW-UHFFFAOYSA-N 1 0 400.491 -0.496 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC[NH+](C)C ZINC000534648078 1071221797 /nfs/dbraw/zinc/22/17/97/1071221797.db2.gz DEOIVSIKESTFKF-HNNXBMFYSA-N 1 0 420.557 -0.295 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)NCC[NH+](C)C ZINC000534652686 1071222667 /nfs/dbraw/zinc/22/26/67/1071222667.db2.gz KNEUDTRTFJWXQQ-HNNXBMFYSA-N 1 0 420.557 -0.295 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000534666020 1071223129 /nfs/dbraw/zinc/22/31/29/1071223129.db2.gz WMFFITRXODTYTR-HXUWFJFHSA-N 1 0 418.538 -0.080 20 0 HBADRO CC(C)C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)NCC[NH+](C)C ZINC000534714514 1071227207 /nfs/dbraw/zinc/22/72/07/1071227207.db2.gz NASHQUFPFRWFGO-CVEARBPZSA-N 1 0 407.519 -0.083 20 0 HBADRO CC(C)C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)NCC[NH+](C)C ZINC000534714515 1071226950 /nfs/dbraw/zinc/22/69/50/1071226950.db2.gz NASHQUFPFRWFGO-HOTGVXAUSA-N 1 0 407.519 -0.083 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000534718151 1071227384 /nfs/dbraw/zinc/22/73/84/1071227384.db2.gz QXXXUMKCRIHXLY-GOSISDBHSA-N 1 0 424.590 -0.413 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000534718158 1071227259 /nfs/dbraw/zinc/22/72/59/1071227259.db2.gz QXXXUMKCRIHXLY-SFHVURJKSA-N 1 0 424.590 -0.413 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000534718554 1071227309 /nfs/dbraw/zinc/22/73/09/1071227309.db2.gz ROJGKLCLTXHYJK-UHFFFAOYSA-N 1 0 404.563 -0.076 20 0 HBADRO CC(C)C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)NCC[NH+](C)C ZINC000534786614 1071229330 /nfs/dbraw/zinc/22/93/30/1071229330.db2.gz BCBPZRYOHIFJPZ-AWEZNQCLSA-N 1 0 420.514 -0.602 20 0 HBADRO CC(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)C(=O)NCC[NH+](C)C ZINC000534786845 1071229273 /nfs/dbraw/zinc/22/92/73/1071229273.db2.gz NTNWTNGNPGAYDP-INIZCTEOSA-N 1 0 413.544 -0.089 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534831993 1071230630 /nfs/dbraw/zinc/23/06/30/1071230630.db2.gz MJCKITIPKARJIQ-UHFFFAOYSA-N 1 0 401.471 -0.258 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4n[nH]c(C(N)=O)c4c3)C2)CC1 ZINC000534832628 1071230933 /nfs/dbraw/zinc/23/09/33/1071230933.db2.gz ZXNFSJRHSLPIJK-AWEZNQCLSA-N 1 0 413.482 -0.161 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4n[nH]c(C(N)=O)c4c3)C2)CC1 ZINC000534832629 1071230612 /nfs/dbraw/zinc/23/06/12/1071230612.db2.gz ZXNFSJRHSLPIJK-CQSZACIVSA-N 1 0 413.482 -0.161 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)N1CC[NH+](C)CC1 ZINC000534832786 1071230540 /nfs/dbraw/zinc/23/05/40/1071230540.db2.gz TXQSLVHYJRMTFU-INIZCTEOSA-N 1 0 415.498 -0.012 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)N1CC[NH+](C)CC1 ZINC000534832791 1071230643 /nfs/dbraw/zinc/23/06/43/1071230643.db2.gz TXQSLVHYJRMTFU-MRXNPFEDSA-N 1 0 415.498 -0.012 20 0 HBADRO COCCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833843 1071230837 /nfs/dbraw/zinc/23/08/37/1071230837.db2.gz HMWGVFFTYLKQOJ-DLBZAZTESA-N 1 0 405.561 -0.405 20 0 HBADRO COCCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833849 1071230861 /nfs/dbraw/zinc/23/08/61/1071230861.db2.gz HMWGVFFTYLKQOJ-IAGOWNOFSA-N 1 0 405.561 -0.405 20 0 HBADRO COCCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833850 1071230811 /nfs/dbraw/zinc/23/08/11/1071230811.db2.gz HMWGVFFTYLKQOJ-IRXDYDNUSA-N 1 0 405.561 -0.405 20 0 HBADRO COCCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833851 1071230662 /nfs/dbraw/zinc/23/06/62/1071230662.db2.gz HMWGVFFTYLKQOJ-SJORKVTESA-N 1 0 405.561 -0.405 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534834938 1071231485 /nfs/dbraw/zinc/23/14/85/1071231485.db2.gz FAHHGVPDBOCJST-CYBMUJFWSA-N 1 0 402.455 -0.191 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534834939 1071231676 /nfs/dbraw/zinc/23/16/76/1071231676.db2.gz FAHHGVPDBOCJST-ZDUSSCGKSA-N 1 0 402.455 -0.191 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(OC)c1 ZINC000534835154 1071231619 /nfs/dbraw/zinc/23/16/19/1071231619.db2.gz LNEHTDBQVPFKCA-CYBMUJFWSA-N 1 0 407.423 -0.105 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(OC)c1 ZINC000534835160 1071231420 /nfs/dbraw/zinc/23/14/20/1071231420.db2.gz LNEHTDBQVPFKCA-ZDUSSCGKSA-N 1 0 407.423 -0.105 20 0 HBADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc21 ZINC000534835545 1071231635 /nfs/dbraw/zinc/23/16/35/1071231635.db2.gz SANUWDYQQGYYMO-UHFFFAOYSA-N 1 0 413.482 -0.160 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534838151 1071233686 /nfs/dbraw/zinc/23/36/86/1071233686.db2.gz CEHMWOXIFQOZHT-CVEARBPZSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534838152 1071233763 /nfs/dbraw/zinc/23/37/63/1071233763.db2.gz CEHMWOXIFQOZHT-HOTGVXAUSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534838153 1071233564 /nfs/dbraw/zinc/23/35/64/1071233564.db2.gz CEHMWOXIFQOZHT-HZPDHXFCSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1 ZINC000534838154 1071233650 /nfs/dbraw/zinc/23/36/50/1071233650.db2.gz CEHMWOXIFQOZHT-JKSUJKDBSA-N 1 0 407.496 -0.550 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534854961 1071233115 /nfs/dbraw/zinc/23/31/15/1071233115.db2.gz PKXOOKVQNWSHLO-UHFFFAOYSA-N 1 0 401.471 -0.258 20 0 HBADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc21 ZINC000534858978 1071234351 /nfs/dbraw/zinc/23/43/51/1071234351.db2.gz NBUQRDSXWHMWJX-GFCCVEGCSA-N 1 0 400.439 -0.219 20 0 HBADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc21 ZINC000534858979 1071234536 /nfs/dbraw/zinc/23/45/36/1071234536.db2.gz NBUQRDSXWHMWJX-LBPRGKRZSA-N 1 0 400.439 -0.219 20 0 HBADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C[C@@H]1O ZINC000534864360 1071234568 /nfs/dbraw/zinc/23/45/68/1071234568.db2.gz IDFAMYGNXJZGPS-CABCVRRESA-N 1 0 400.501 -0.173 20 0 HBADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C[C@@H]1O ZINC000534864361 1071234404 /nfs/dbraw/zinc/23/44/04/1071234404.db2.gz IDFAMYGNXJZGPS-GJZGRUSLSA-N 1 0 400.501 -0.173 20 0 HBADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C[C@H]1O ZINC000534864362 1071234256 /nfs/dbraw/zinc/23/42/56/1071234256.db2.gz IDFAMYGNXJZGPS-HUUCEWRRSA-N 1 0 400.501 -0.173 20 0 HBADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C[C@H]1O ZINC000534864363 1071235572 /nfs/dbraw/zinc/23/55/72/1071235572.db2.gz IDFAMYGNXJZGPS-LSDHHAIUSA-N 1 0 400.501 -0.173 20 0 HBADRO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)c(OC)c1 ZINC000534876440 1071234509 /nfs/dbraw/zinc/23/45/09/1071234509.db2.gz DFMFVOSWFYFTOD-CYBMUJFWSA-N 1 0 402.469 -0.026 20 0 HBADRO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)c(OC)c1 ZINC000534876444 1071234603 /nfs/dbraw/zinc/23/46/03/1071234603.db2.gz DFMFVOSWFYFTOD-ZDUSSCGKSA-N 1 0 402.469 -0.026 20 0 HBADRO NS(=O)(=O)C1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000534876586 1071234618 /nfs/dbraw/zinc/23/46/18/1071234618.db2.gz KHMJQBIHHLKQIL-UHFFFAOYSA-N 1 0 402.561 -0.109 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000534920723 1071236821 /nfs/dbraw/zinc/23/68/21/1071236821.db2.gz BHLMGQSZFTWETF-MSOLQXFVSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000534920726 1071236930 /nfs/dbraw/zinc/23/69/30/1071236930.db2.gz BHLMGQSZFTWETF-QZTJIDSGSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000534920727 1071236711 /nfs/dbraw/zinc/23/67/11/1071236711.db2.gz BHLMGQSZFTWETF-ROUUACIJSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000534920728 1071237059 /nfs/dbraw/zinc/23/70/59/1071237059.db2.gz BHLMGQSZFTWETF-ZWKOTPCHSA-N 1 0 410.540 -0.099 20 0 HBADRO Cn1c2ncn(CC(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)c2c(=O)n(C)c1=O ZINC000534924423 1071236785 /nfs/dbraw/zinc/23/67/85/1071236785.db2.gz FZSGCZSFVOGFBM-UHFFFAOYSA-N 1 0 414.466 -0.270 20 0 HBADRO Cn1c2c(ccn2CC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000534968956 1071239571 /nfs/dbraw/zinc/23/95/71/1071239571.db2.gz CMDPRHRMSGZCNG-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO CNc1nc(NCCC(=O)N2CCCCC2)nc(NCCC(=O)N2CCCCC2)[nH+]1 ZINC000534979329 1071239174 /nfs/dbraw/zinc/23/91/74/1071239174.db2.gz OKRXZEXXSMSDAM-UHFFFAOYSA-N 1 0 418.546 -0.192 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000534981009 1071239408 /nfs/dbraw/zinc/23/94/08/1071239408.db2.gz WWMQBVSUHJBLHE-GOSISDBHSA-N 1 0 419.526 -0.181 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccn1 ZINC000534981010 1071239487 /nfs/dbraw/zinc/23/94/87/1071239487.db2.gz WWMQBVSUHJBLHE-SFHVURJKSA-N 1 0 419.526 -0.181 20 0 HBADRO Cn1c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000534981291 1071239592 /nfs/dbraw/zinc/23/95/92/1071239592.db2.gz YVBJOEDVSYMNOM-UHFFFAOYSA-N 1 0 414.466 -0.159 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)nc2n(C)c1=O ZINC000534982524 1071239114 /nfs/dbraw/zinc/23/91/14/1071239114.db2.gz GCGCKZSZKQCCJW-UHFFFAOYSA-N 1 0 412.450 -0.102 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000535016021 1071241162 /nfs/dbraw/zinc/24/11/62/1071241162.db2.gz KHZCGQNUZYPHPE-GOSISDBHSA-N 1 0 400.479 -0.027 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000535016022 1071241105 /nfs/dbraw/zinc/24/11/05/1071241105.db2.gz KHZCGQNUZYPHPE-SFHVURJKSA-N 1 0 400.479 -0.027 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)co1 ZINC000535156360 1071243996 /nfs/dbraw/zinc/24/39/96/1071243996.db2.gz QADLDVPOZORSEY-UHFFFAOYSA-N 1 0 412.472 -0.344 20 0 HBADRO O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000535164385 1071243442 /nfs/dbraw/zinc/24/34/42/1071243442.db2.gz BKOOQHMWEJAGPI-NRFANRHFSA-N 1 0 414.462 -0.023 20 0 HBADRO O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000535164438 1071243354 /nfs/dbraw/zinc/24/33/54/1071243354.db2.gz BKOOQHMWEJAGPI-OAQYLSRUSA-N 1 0 414.462 -0.023 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000535172810 1071244184 /nfs/dbraw/zinc/24/41/84/1071244184.db2.gz IDTCWTQTIDCHFC-SJPCQFCGSA-N 1 0 405.503 -0.097 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535228507 1071244593 /nfs/dbraw/zinc/24/45/93/1071244593.db2.gz BIUBRPFHVNWPLR-SJPCQFCGSA-N 1 0 402.561 -0.288 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1C ZINC000535231153 1071244670 /nfs/dbraw/zinc/24/46/70/1071244670.db2.gz QRMIRZVUAYHJGE-SJPCQFCGSA-N 1 0 424.571 -0.224 20 0 HBADRO O=C(NCCNc1cc[nH+]cc1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000535260047 1071246851 /nfs/dbraw/zinc/24/68/51/1071246851.db2.gz FTRKVCIZWGWZBR-UHFFFAOYSA-N 1 0 412.516 -0.744 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000535261653 1071246661 /nfs/dbraw/zinc/24/66/61/1071246661.db2.gz OUCSNAGAAXDKHJ-KRWDZBQOSA-N 1 0 418.546 -0.515 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000535261668 1071246591 /nfs/dbraw/zinc/24/65/91/1071246591.db2.gz OUCSNAGAAXDKHJ-QGZVFWFLSA-N 1 0 418.546 -0.515 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCCN1C(=O)CNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535274964 1071248525 /nfs/dbraw/zinc/24/85/25/1071248525.db2.gz IPMTXZOORUIDGV-AWEZNQCLSA-N 1 0 402.517 -0.324 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCCN1C(=O)CNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535274969 1071248453 /nfs/dbraw/zinc/24/84/53/1071248453.db2.gz IPMTXZOORUIDGV-CQSZACIVSA-N 1 0 402.517 -0.324 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535276674 1070559146 /nfs/dbraw/zinc/55/91/46/1070559146.db2.gz VVNJDGMYMSKPTE-HNNXBMFYSA-N 1 0 409.512 -0.147 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535276690 1071248294 /nfs/dbraw/zinc/24/82/94/1071248294.db2.gz VVNJDGMYMSKPTE-OAHLLOKOSA-N 1 0 409.512 -0.147 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535277292 1071248319 /nfs/dbraw/zinc/24/83/19/1071248319.db2.gz WZIVCMJXWSZUSR-AWEZNQCLSA-N 1 0 424.527 -0.513 20 0 HBADRO CC[NH+](CC)CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535277331 1071248541 /nfs/dbraw/zinc/24/85/41/1071248541.db2.gz WZIVCMJXWSZUSR-CQSZACIVSA-N 1 0 424.527 -0.513 20 0 HBADRO COc1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)ccc1S(=O)(=O)N(C)C ZINC000535283075 1071247520 /nfs/dbraw/zinc/24/75/20/1071247520.db2.gz DPZQTWRFGGZLFB-UHFFFAOYSA-N 1 0 421.479 -0.071 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000535330273 1071250022 /nfs/dbraw/zinc/25/00/22/1071250022.db2.gz RFGORLXLQSESIL-AWEZNQCLSA-N 1 0 403.549 -0.313 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000535330293 1071249917 /nfs/dbraw/zinc/24/99/17/1071249917.db2.gz RFGORLXLQSESIL-CQSZACIVSA-N 1 0 403.549 -0.313 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535359664 1071251449 /nfs/dbraw/zinc/25/14/49/1071251449.db2.gz PIXXCUQOJNZDLP-GJZGRUSLSA-N 1 0 406.549 -0.059 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535359665 1071251222 /nfs/dbraw/zinc/25/12/22/1071251222.db2.gz PIXXCUQOJNZDLP-LSDHHAIUSA-N 1 0 406.549 -0.059 20 0 HBADRO CC(C)C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)NCC[NH+](C)C ZINC000535376363 1071252731 /nfs/dbraw/zinc/25/27/31/1071252731.db2.gz DYSKLVMWHZXJLK-HNNXBMFYSA-N 1 0 405.565 -0.198 20 0 HBADRO Cc1oc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1S(=O)(=O)N(C)C ZINC000535380025 1071252679 /nfs/dbraw/zinc/25/26/79/1071252679.db2.gz QPKDGFPEQXXSNL-UHFFFAOYSA-N 1 0 416.544 -0.042 20 0 HBADRO CCn1c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cc2[nH]c(=O)c1=O ZINC000535380896 1071253585 /nfs/dbraw/zinc/25/35/85/1071253585.db2.gz LBAMJPPFGRUKRU-UHFFFAOYSA-N 1 0 417.510 -0.170 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc3c2OCCO3)cn1 ZINC000535402116 1071254257 /nfs/dbraw/zinc/25/42/57/1071254257.db2.gz LWPXDHSDVSNXBH-UHFFFAOYSA-N 1 0 416.438 -0.091 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000535427648 1071254782 /nfs/dbraw/zinc/25/47/82/1071254782.db2.gz IHWQBUAASQDYBX-GFCCVEGCSA-N 1 0 412.468 -0.843 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000535427649 1071254932 /nfs/dbraw/zinc/25/49/32/1071254932.db2.gz IHWQBUAASQDYBX-LBPRGKRZSA-N 1 0 412.468 -0.843 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000535428271 1071254271 /nfs/dbraw/zinc/25/42/71/1071254271.db2.gz GIBFPUDRTIRXIU-KRWDZBQOSA-N 1 0 404.515 -0.180 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000535428272 1071254209 /nfs/dbraw/zinc/25/42/09/1071254209.db2.gz GIBFPUDRTIRXIU-QGZVFWFLSA-N 1 0 404.515 -0.180 20 0 HBADRO CC(C)C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C(=O)NCC[NH+](C)C ZINC000535428363 1071254337 /nfs/dbraw/zinc/25/43/37/1071254337.db2.gz KFSBOIUOOKBGIR-CABCVRRESA-N 1 0 405.565 -0.340 20 0 HBADRO CC(C)C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)NCC[NH+](C)C ZINC000535428364 1071254350 /nfs/dbraw/zinc/25/43/50/1071254350.db2.gz KFSBOIUOOKBGIR-GJZGRUSLSA-N 1 0 405.565 -0.340 20 0 HBADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000535428484 1071255000 /nfs/dbraw/zinc/25/50/00/1071255000.db2.gz PMUYRFFHMNYASG-UHFFFAOYSA-N 1 0 404.558 -0.224 20 0 HBADRO CC(C)C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000535429049 1071254969 /nfs/dbraw/zinc/25/49/69/1071254969.db2.gz ONJMFMYEARULNW-CABCVRRESA-N 1 0 405.565 -0.198 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC([N@H+](C)CCCO)CC2)cn1C ZINC000535440556 1071255640 /nfs/dbraw/zinc/25/56/40/1071255640.db2.gz LQMHNKRUDIDUBL-UHFFFAOYSA-N 1 0 401.533 -0.298 20 0 HBADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000535541900 1071257673 /nfs/dbraw/zinc/25/76/73/1071257673.db2.gz BHKDNMLYNOXIQH-BBRMVZONSA-N 1 0 414.528 -0.118 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000535541901 1071257519 /nfs/dbraw/zinc/25/75/19/1071257519.db2.gz BHKDNMLYNOXIQH-CJNGLKHVSA-N 1 0 414.528 -0.118 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000535541902 1071257647 /nfs/dbraw/zinc/25/76/47/1071257647.db2.gz BHKDNMLYNOXIQH-CZUORRHYSA-N 1 0 414.528 -0.118 20 0 HBADRO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000535541903 1071258330 /nfs/dbraw/zinc/25/83/30/1071258330.db2.gz BHKDNMLYNOXIQH-XJKSGUPXSA-N 1 0 414.528 -0.118 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000535548114 1071259086 /nfs/dbraw/zinc/25/90/86/1071259086.db2.gz JNOPQTKPQCHBAX-GFCCVEGCSA-N 1 0 401.471 -0.258 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000535548118 1071259229 /nfs/dbraw/zinc/25/92/29/1071259229.db2.gz JNOPQTKPQCHBAX-LBPRGKRZSA-N 1 0 401.471 -0.258 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)nc2n(C)c1=O ZINC000535552379 1071259759 /nfs/dbraw/zinc/25/97/59/1071259759.db2.gz ARCPMVKONWFCSE-CVEARBPZSA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)nc2n(C)c1=O ZINC000535552385 1071260029 /nfs/dbraw/zinc/26/00/29/1071260029.db2.gz ARCPMVKONWFCSE-HOTGVXAUSA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nc2n(C)c1=O ZINC000535552386 1071259934 /nfs/dbraw/zinc/25/99/34/1071259934.db2.gz ARCPMVKONWFCSE-HZPDHXFCSA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nc2n(C)c1=O ZINC000535552389 1071259818 /nfs/dbraw/zinc/25/98/18/1071259818.db2.gz ARCPMVKONWFCSE-JKSUJKDBSA-N 1 0 423.473 -0.003 20 0 HBADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc21 ZINC000535567510 1071260744 /nfs/dbraw/zinc/26/07/44/1071260744.db2.gz RLKVKDFXAHRVOR-CYBMUJFWSA-N 1 0 402.455 -0.047 20 0 HBADRO CN1C(=O)NC2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)C1=O ZINC000535567513 1071260689 /nfs/dbraw/zinc/26/06/89/1071260689.db2.gz RUBMPLUFSGSMNF-AWEZNQCLSA-N 1 0 401.423 -0.120 20 0 HBADRO CN1C(=O)NC2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)C1=O ZINC000535567514 1071260736 /nfs/dbraw/zinc/26/07/36/1071260736.db2.gz RUBMPLUFSGSMNF-CQSZACIVSA-N 1 0 401.423 -0.120 20 0 HBADRO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc21 ZINC000535567517 1071260774 /nfs/dbraw/zinc/26/07/74/1071260774.db2.gz RLKVKDFXAHRVOR-ZDUSSCGKSA-N 1 0 402.455 -0.047 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000535629563 1068272781 /nfs/dbraw/zinc/27/27/81/1068272781.db2.gz BYZGIVVYVFWJQJ-AEFFLSMTSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000535629574 1068272824 /nfs/dbraw/zinc/27/28/24/1068272824.db2.gz BYZGIVVYVFWJQJ-FUHWJXTLSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000535629576 1068272946 /nfs/dbraw/zinc/27/29/46/1068272946.db2.gz BYZGIVVYVFWJQJ-SJLPKXTDSA-N 1 0 421.523 -0.080 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000535629578 1068273036 /nfs/dbraw/zinc/27/30/36/1068273036.db2.gz BYZGIVVYVFWJQJ-WMZOPIPTSA-N 1 0 421.523 -0.080 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535632097 1068278230 /nfs/dbraw/zinc/27/82/30/1068278230.db2.gz XEJTTYPZOZKDQQ-MSOLQXFVSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535632110 1068278333 /nfs/dbraw/zinc/27/83/33/1068278333.db2.gz XEJTTYPZOZKDQQ-QZTJIDSGSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535632112 1068278366 /nfs/dbraw/zinc/27/83/66/1068278366.db2.gz XEJTTYPZOZKDQQ-ROUUACIJSA-N 1 0 413.540 -0.059 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535632113 1068279145 /nfs/dbraw/zinc/27/91/45/1068279145.db2.gz XEJTTYPZOZKDQQ-ZWKOTPCHSA-N 1 0 413.540 -0.059 20 0 HBADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000535637611 1068340745 /nfs/dbraw/zinc/34/07/45/1068340745.db2.gz IGRSONBCLOCJPI-UHFFFAOYSA-N 1 0 423.495 -0.312 20 0 HBADRO CS[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000535666174 1068586348 /nfs/dbraw/zinc/58/63/48/1068586348.db2.gz PMZVEUUHTPHTAV-CVEARBPZSA-N 1 0 400.570 -0.030 20 0 HBADRO CS[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1[NH+](C)C ZINC000535666175 1068586465 /nfs/dbraw/zinc/58/64/65/1068586465.db2.gz PMZVEUUHTPHTAV-HOTGVXAUSA-N 1 0 400.570 -0.030 20 0 HBADRO CS[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000535666176 1068586583 /nfs/dbraw/zinc/58/65/83/1068586583.db2.gz PMZVEUUHTPHTAV-HZPDHXFCSA-N 1 0 400.570 -0.030 20 0 HBADRO CS[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1[NH+](C)C ZINC000535666177 1068586438 /nfs/dbraw/zinc/58/64/38/1068586438.db2.gz PMZVEUUHTPHTAV-JKSUJKDBSA-N 1 0 400.570 -0.030 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000535689572 1068593204 /nfs/dbraw/zinc/59/32/04/1068593204.db2.gz HLQJZKSPAPWHEI-UHFFFAOYSA-N 1 0 420.514 -0.098 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000535689783 1071091389 /nfs/dbraw/zinc/09/13/89/1071091389.db2.gz KPASZTDLJSSMRS-UHFFFAOYSA-N 1 0 420.514 -0.100 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)cnc2n(C)c1=O ZINC000535693190 1068592314 /nfs/dbraw/zinc/59/23/14/1068592314.db2.gz ZTASNOFQIMNCDB-UHFFFAOYSA-N 1 0 412.450 -0.102 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535693910 1068592911 /nfs/dbraw/zinc/59/29/11/1068592911.db2.gz BQQNSMCYFVQTRU-CYBMUJFWSA-N 1 0 410.500 -0.261 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535693915 1068593263 /nfs/dbraw/zinc/59/32/63/1068593263.db2.gz BQQNSMCYFVQTRU-ZDUSSCGKSA-N 1 0 410.500 -0.261 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cn1C ZINC000535695833 1071092553 /nfs/dbraw/zinc/09/25/53/1071092553.db2.gz DUSROUGKHKPXGV-UHFFFAOYSA-N 1 0 410.500 -0.341 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535709527 1068593956 /nfs/dbraw/zinc/59/39/56/1068593956.db2.gz NQNLTPHTUXCETG-PBHICJAKSA-N 1 0 416.569 -0.020 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535709547 1068593806 /nfs/dbraw/zinc/59/38/06/1068593806.db2.gz NQNLTPHTUXCETG-RHSMWYFYSA-N 1 0 416.569 -0.020 20 0 HBADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535709548 1068593643 /nfs/dbraw/zinc/59/36/43/1068593643.db2.gz NQNLTPHTUXCETG-WMLDXEAASA-N 1 0 416.569 -0.020 20 0 HBADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535709551 1068593680 /nfs/dbraw/zinc/59/36/80/1068593680.db2.gz NQNLTPHTUXCETG-YOEHRIQHSA-N 1 0 416.569 -0.020 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000535730192 1068595377 /nfs/dbraw/zinc/59/53/77/1068595377.db2.gz FHOGWGJFGVBSMD-FXAWDEMLSA-N 1 0 423.535 -0.225 20 0 HBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000535730200 1068595151 /nfs/dbraw/zinc/59/51/51/1068595151.db2.gz FHOGWGJFGVBSMD-PXNSSMCTSA-N 1 0 423.535 -0.225 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000535730201 1068595292 /nfs/dbraw/zinc/59/52/92/1068595292.db2.gz FHOGWGJFGVBSMD-XLIONFOSSA-N 1 0 423.535 -0.225 20 0 HBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000535730203 1068594831 /nfs/dbraw/zinc/59/48/31/1068594831.db2.gz FHOGWGJFGVBSMD-YLJYHZDGSA-N 1 0 423.535 -0.225 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1=O ZINC000535748130 1068595219 /nfs/dbraw/zinc/59/52/19/1068595219.db2.gz WSBPZBYCXXPCTI-AWEZNQCLSA-N 1 0 420.466 -0.025 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1=O ZINC000535748131 1068595421 /nfs/dbraw/zinc/59/54/21/1068595421.db2.gz WSBPZBYCXXPCTI-CQSZACIVSA-N 1 0 420.466 -0.025 20 0 HBADRO COCCN1CCN(c2cc(N3CCN(CCOC)C(=O)C3)[nH+]c(C)n2)CC1=O ZINC000535784059 1068595890 /nfs/dbraw/zinc/59/58/90/1068595890.db2.gz WVPSHUDFAWFQSK-UHFFFAOYSA-N 1 0 406.487 -0.625 20 0 HBADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1=O ZINC000535893850 1068608829 /nfs/dbraw/zinc/60/88/29/1068608829.db2.gz YFRBZZNQJBZPJG-UHFFFAOYSA-N 1 0 400.482 -0.142 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000535901115 1068609432 /nfs/dbraw/zinc/60/94/32/1068609432.db2.gz UQODVAATJGVBQQ-XYPWUTKMSA-N 1 0 411.528 -0.012 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535907137 1068611335 /nfs/dbraw/zinc/61/13/35/1068611335.db2.gz QLHSMORJEAILBB-XYPWUTKMSA-N 1 0 408.590 -0.502 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)co1 ZINC000535910083 1068612776 /nfs/dbraw/zinc/61/27/76/1068612776.db2.gz GFAGZKYIUDZUSZ-CYBMUJFWSA-N 1 0 407.514 -0.231 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)co1 ZINC000535910112 1068612901 /nfs/dbraw/zinc/61/29/01/1068612901.db2.gz GFAGZKYIUDZUSZ-ZDUSSCGKSA-N 1 0 407.514 -0.231 20 0 HBADRO Cn1c2c(ccn2CC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000535981679 1068772112 /nfs/dbraw/zinc/77/21/12/1068772112.db2.gz MIRKMBNFDZELOS-UHFFFAOYSA-N 1 0 400.439 -0.599 20 0 HBADRO Cn1c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000535985688 1068774100 /nfs/dbraw/zinc/77/41/00/1068774100.db2.gz AZGXUIAKJDPSJX-UHFFFAOYSA-N 1 0 400.439 -0.449 20 0 HBADRO O=C(C[NH+]1CCC(OCCO)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000536001356 1068779765 /nfs/dbraw/zinc/77/97/65/1068779765.db2.gz DRZKDRWEDNZWTK-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000536006598 1068781891 /nfs/dbraw/zinc/78/18/91/1068781891.db2.gz FVTHCQVCNQGHMG-UHFFFAOYSA-N 1 0 411.484 -0.085 20 0 HBADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000536016197 1068784462 /nfs/dbraw/zinc/78/44/62/1068784462.db2.gz BJMHAUKAMVXZAE-UHFFFAOYSA-N 1 0 417.491 -0.095 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1S(C)(=O)=O ZINC000536109000 1068820178 /nfs/dbraw/zinc/82/01/78/1068820178.db2.gz RTOJDGADODWQSI-AWEZNQCLSA-N 1 0 410.496 -0.207 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1S(C)(=O)=O ZINC000536109004 1068820209 /nfs/dbraw/zinc/82/02/09/1068820209.db2.gz RTOJDGADODWQSI-CQSZACIVSA-N 1 0 410.496 -0.207 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000536120581 1068823651 /nfs/dbraw/zinc/82/36/51/1068823651.db2.gz BXQFWMBLXSFQRX-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000536120586 1068823583 /nfs/dbraw/zinc/82/35/83/1068823583.db2.gz BXQFWMBLXSFQRX-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000536167618 1068834495 /nfs/dbraw/zinc/83/44/95/1068834495.db2.gz RAFMJLHEHKLWOJ-HNNXBMFYSA-N 1 0 406.549 -0.202 20 0 HBADRO CC(C)[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172303 1068835804 /nfs/dbraw/zinc/83/58/04/1068835804.db2.gz CUWAKUPRJZPEMA-KRWDZBQOSA-N 1 0 418.494 -0.238 20 0 HBADRO CC(C)[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172307 1068836057 /nfs/dbraw/zinc/83/60/57/1068836057.db2.gz CUWAKUPRJZPEMA-QGZVFWFLSA-N 1 0 418.494 -0.238 20 0 HBADRO CC1CCC(NS(=O)(=O)CC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000536173995 1068836608 /nfs/dbraw/zinc/83/66/08/1068836608.db2.gz HIBCREYDXWFICP-UHFFFAOYSA-N 1 0 418.604 -0.009 20 0 HBADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000536176870 1068838078 /nfs/dbraw/zinc/83/80/78/1068838078.db2.gz PBXVLAORZBMUQF-INIZCTEOSA-N 1 0 409.531 -0.254 20 0 HBADRO C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000536176871 1068838231 /nfs/dbraw/zinc/83/82/31/1068838231.db2.gz PBXVLAORZBMUQF-MRXNPFEDSA-N 1 0 409.531 -0.254 20 0 HBADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000536177056 1068837207 /nfs/dbraw/zinc/83/72/07/1068837207.db2.gz SMUKMVSCLBPRJJ-DYESRHJHSA-N 1 0 423.558 -0.007 20 0 HBADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000536177060 1068837469 /nfs/dbraw/zinc/83/74/69/1068837469.db2.gz SMUKMVSCLBPRJJ-LAUBAEHRSA-N 1 0 423.558 -0.007 20 0 HBADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000536177061 1068837775 /nfs/dbraw/zinc/83/77/75/1068837775.db2.gz SMUKMVSCLBPRJJ-UTKZUKDTSA-N 1 0 423.558 -0.007 20 0 HBADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000536177062 1068837620 /nfs/dbraw/zinc/83/76/20/1068837620.db2.gz SMUKMVSCLBPRJJ-UWJYYQICSA-N 1 0 423.558 -0.007 20 0 HBADRO O=C(CN1CCN(c2ccccn2)CC1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000536177063 1068837334 /nfs/dbraw/zinc/83/73/34/1068837334.db2.gz SNQIEFZNWQWSHM-UHFFFAOYSA-N 1 0 404.559 -0.290 20 0 HBADRO CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCC[NH+]1CCN(CCO)CC1)C2=O ZINC000536179152 1068838180 /nfs/dbraw/zinc/83/81/80/1068838180.db2.gz HKGOWNDYTRNDGU-UHFFFAOYSA-N 1 0 423.558 -0.007 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000536216169 1068865866 /nfs/dbraw/zinc/86/58/66/1068865866.db2.gz UCSMAABTIRTDBZ-CYBMUJFWSA-N 1 0 407.514 -0.102 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000536216183 1068867500 /nfs/dbraw/zinc/86/75/00/1068867500.db2.gz UCSMAABTIRTDBZ-ZDUSSCGKSA-N 1 0 407.514 -0.102 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000536224721 1069198681 /nfs/dbraw/zinc/19/86/81/1069198681.db2.gz GUYJMSIUZCVPQR-KRWDZBQOSA-N 1 0 419.592 -0.200 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000536224734 1069198843 /nfs/dbraw/zinc/19/88/43/1069198843.db2.gz GUYJMSIUZCVPQR-QGZVFWFLSA-N 1 0 419.592 -0.200 20 0 HBADRO CC(C)C[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)C(=O)NCC[NH+](C)C ZINC000536226098 1069247915 /nfs/dbraw/zinc/24/79/15/1069247915.db2.gz LBEFPJPMZUFVNC-KRWDZBQOSA-N 1 0 412.579 -0.069 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000536226450 1069307602 /nfs/dbraw/zinc/30/76/02/1069307602.db2.gz NANXVLPAMIROFS-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO CC(C)C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)NCC[NH+](C)C ZINC000536232450 1069332722 /nfs/dbraw/zinc/33/27/22/1069332722.db2.gz JPIHVODGLIPVMY-CABCVRRESA-N 1 0 405.565 -0.198 20 0 HBADRO CC(C)C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)NCC[NH+](C)C ZINC000536232472 1069332851 /nfs/dbraw/zinc/33/28/51/1069332851.db2.gz JPIHVODGLIPVMY-GJZGRUSLSA-N 1 0 405.565 -0.198 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cn1C ZINC000536294517 1068368439 /nfs/dbraw/zinc/36/84/39/1068368439.db2.gz DEHVEXGRAYOYNW-AWEZNQCLSA-N 1 0 416.548 -0.784 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000536312810 1070640491 /nfs/dbraw/zinc/64/04/91/1070640491.db2.gz XAHCPADTJBGZDG-UHFFFAOYSA-N 1 0 401.489 -0.910 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000536314132 1070641185 /nfs/dbraw/zinc/64/11/85/1070641185.db2.gz FIGBRNTWULKSMU-DLBZAZTESA-N 1 0 402.455 -0.114 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000536314142 1070641210 /nfs/dbraw/zinc/64/12/10/1070641210.db2.gz FIGBRNTWULKSMU-IAGOWNOFSA-N 1 0 402.455 -0.114 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000536314143 1070641295 /nfs/dbraw/zinc/64/12/95/1070641295.db2.gz FIGBRNTWULKSMU-IRXDYDNUSA-N 1 0 402.455 -0.114 20 0 HBADRO COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nn1 ZINC000536314144 1070641302 /nfs/dbraw/zinc/64/13/02/1070641302.db2.gz FIGBRNTWULKSMU-SJORKVTESA-N 1 0 402.455 -0.114 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000536341178 1070647005 /nfs/dbraw/zinc/64/70/05/1070647005.db2.gz OCUBZXIIWLIERN-CYBMUJFWSA-N 1 0 415.498 -0.010 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000536341185 1070648090 /nfs/dbraw/zinc/64/80/90/1070648090.db2.gz OCUBZXIIWLIERN-ZDUSSCGKSA-N 1 0 415.498 -0.010 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345970 1070649746 /nfs/dbraw/zinc/64/97/46/1070649746.db2.gz OHKRLQTXULNWIX-DLBZAZTESA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345971 1070649555 /nfs/dbraw/zinc/64/95/55/1070649555.db2.gz OHKRLQTXULNWIX-IAGOWNOFSA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345972 1070650439 /nfs/dbraw/zinc/65/04/39/1070650439.db2.gz OHKRLQTXULNWIX-IRXDYDNUSA-N 1 0 423.473 -0.003 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345973 1070650378 /nfs/dbraw/zinc/65/03/78/1070650378.db2.gz OHKRLQTXULNWIX-SJORKVTESA-N 1 0 423.473 -0.003 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536346527 1070649725 /nfs/dbraw/zinc/64/97/25/1070649725.db2.gz SHZMBLYKZWUPSY-BHYGNILZSA-N 1 0 421.523 -0.162 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536346528 1070649438 /nfs/dbraw/zinc/64/94/38/1070649438.db2.gz SHZMBLYKZWUPSY-UAGQMJEPSA-N 1 0 421.523 -0.162 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536346529 1070649661 /nfs/dbraw/zinc/64/96/61/1070649661.db2.gz SHZMBLYKZWUPSY-USXIJHARSA-N 1 0 421.523 -0.162 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536346530 1070649638 /nfs/dbraw/zinc/64/96/38/1070649638.db2.gz SHZMBLYKZWUPSY-XIRDDKMYSA-N 1 0 421.523 -0.162 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000536349117 1070650415 /nfs/dbraw/zinc/65/04/15/1070650415.db2.gz IKOKKVLCSSTYKS-DLBZAZTESA-N 1 0 421.523 -0.242 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000536349121 1070650467 /nfs/dbraw/zinc/65/04/67/1070650467.db2.gz IKOKKVLCSSTYKS-IAGOWNOFSA-N 1 0 421.523 -0.242 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000536349123 1070650202 /nfs/dbraw/zinc/65/02/02/1070650202.db2.gz IKOKKVLCSSTYKS-IRXDYDNUSA-N 1 0 421.523 -0.242 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000536349125 1070650405 /nfs/dbraw/zinc/65/04/05/1070650405.db2.gz IKOKKVLCSSTYKS-SJORKVTESA-N 1 0 421.523 -0.242 20 0 HBADRO CN1C(=O)NC2(CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)C1=O ZINC000536360897 1070652869 /nfs/dbraw/zinc/65/28/69/1070652869.db2.gz JSKKEIWVKLIWDD-UHFFFAOYSA-N 1 0 402.390 -0.244 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)c(=O)[nH]c1=O ZINC000536361274 1070652833 /nfs/dbraw/zinc/65/28/33/1070652833.db2.gz VNXYNCQSVJCBNI-UHFFFAOYSA-N 1 0 406.443 -0.614 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000536364423 1070653586 /nfs/dbraw/zinc/65/35/86/1070653586.db2.gz AJEDKJLMFAOAKW-UHFFFAOYSA-N 1 0 402.455 -0.095 20 0 HBADRO COCCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000536373419 1069741136 /nfs/dbraw/zinc/74/11/36/1069741136.db2.gz FYRKWAHJSHJEEN-GOSISDBHSA-N 1 0 412.531 -0.883 20 0 HBADRO COCCO[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000536373443 1069740966 /nfs/dbraw/zinc/74/09/66/1069740966.db2.gz FYRKWAHJSHJEEN-SFHVURJKSA-N 1 0 412.531 -0.883 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000536431169 1070662894 /nfs/dbraw/zinc/66/28/94/1070662894.db2.gz ILXWKSGKACBGFK-AEFFLSMTSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000536431170 1070662918 /nfs/dbraw/zinc/66/29/18/1070662918.db2.gz ILXWKSGKACBGFK-FUHWJXTLSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000536431171 1068636701 /nfs/dbraw/zinc/63/67/01/1068636701.db2.gz ILXWKSGKACBGFK-SJLPKXTDSA-N 1 0 421.523 -0.302 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000536431172 1070662934 /nfs/dbraw/zinc/66/29/34/1070662934.db2.gz ILXWKSGKACBGFK-WMZOPIPTSA-N 1 0 421.523 -0.302 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000536433003 1070663587 /nfs/dbraw/zinc/66/35/87/1070663587.db2.gz WXSPTHVNXYIUCL-MSOLQXFVSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000536433026 1070663610 /nfs/dbraw/zinc/66/36/10/1070663610.db2.gz WXSPTHVNXYIUCL-QZTJIDSGSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000536433029 1070663409 /nfs/dbraw/zinc/66/34/09/1070663409.db2.gz WXSPTHVNXYIUCL-ROUUACIJSA-N 1 0 410.540 -0.099 20 0 HBADRO NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000536433032 1070663667 /nfs/dbraw/zinc/66/36/67/1070663667.db2.gz WXSPTHVNXYIUCL-ZWKOTPCHSA-N 1 0 410.540 -0.099 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000536433301 1070663340 /nfs/dbraw/zinc/66/33/40/1070663340.db2.gz ZCEYASISWPKCQV-MOPGFXCFSA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000536433310 1070663636 /nfs/dbraw/zinc/66/36/36/1070663636.db2.gz ZCEYASISWPKCQV-OALUTQOASA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000536433311 1070663468 /nfs/dbraw/zinc/66/34/68/1070663468.db2.gz ZCEYASISWPKCQV-RBUKOAKNSA-N 1 0 424.567 -0.437 20 0 HBADRO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000536433314 1070663548 /nfs/dbraw/zinc/66/35/48/1070663548.db2.gz ZCEYASISWPKCQV-RTBURBONSA-N 1 0 424.567 -0.437 20 0 HBADRO CCN1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C(=O)C1=O ZINC000536436502 1070665110 /nfs/dbraw/zinc/66/51/10/1070665110.db2.gz PFNKRPJBKGOMBP-MSOLQXFVSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C(=O)C1=O ZINC000536436503 1070664921 /nfs/dbraw/zinc/66/49/21/1070664921.db2.gz PFNKRPJBKGOMBP-QZTJIDSGSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C(=O)C1=O ZINC000536436504 1070664963 /nfs/dbraw/zinc/66/49/63/1070664963.db2.gz PFNKRPJBKGOMBP-ROUUACIJSA-N 1 0 402.495 -0.324 20 0 HBADRO CCN1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C(=O)C1=O ZINC000536436505 1070665068 /nfs/dbraw/zinc/66/50/68/1070665068.db2.gz PFNKRPJBKGOMBP-ZWKOTPCHSA-N 1 0 402.495 -0.324 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000536446405 1070685299 /nfs/dbraw/zinc/68/52/99/1070685299.db2.gz BYCWSGFQXWNALO-CVEARBPZSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000536446420 1070691432 /nfs/dbraw/zinc/69/14/32/1070691432.db2.gz BYCWSGFQXWNALO-HOTGVXAUSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000536446421 1070691184 /nfs/dbraw/zinc/69/11/84/1070691184.db2.gz BYCWSGFQXWNALO-HZPDHXFCSA-N 1 0 407.496 -0.550 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000536446423 1070691346 /nfs/dbraw/zinc/69/13/46/1070691346.db2.gz BYCWSGFQXWNALO-JKSUJKDBSA-N 1 0 407.496 -0.550 20 0 HBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000536471537 1070709883 /nfs/dbraw/zinc/70/98/83/1070709883.db2.gz UMHFXVZLLVWKEG-UHFFFAOYSA-N 1 0 411.572 -0.438 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c(=O)n2C ZINC000536494087 1068643874 /nfs/dbraw/zinc/64/38/74/1068643874.db2.gz WLPIWNBFZRYFLO-UHFFFAOYSA-N 1 0 415.454 -0.915 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000536533385 1069213010 /nfs/dbraw/zinc/21/30/10/1069213010.db2.gz VVSYMXMBPJDAAR-BZUAXINKSA-N 1 0 420.601 -0.078 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000536533386 1069213674 /nfs/dbraw/zinc/21/36/74/1069213674.db2.gz VVSYMXMBPJDAAR-OAGGEKHMSA-N 1 0 420.601 -0.078 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000536533387 1069213947 /nfs/dbraw/zinc/21/39/47/1069213947.db2.gz VVSYMXMBPJDAAR-OWCLPIDISA-N 1 0 420.601 -0.078 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000536533388 1069213774 /nfs/dbraw/zinc/21/37/74/1069213774.db2.gz VVSYMXMBPJDAAR-XHSDSOJGSA-N 1 0 420.601 -0.078 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000536583247 1069218753 /nfs/dbraw/zinc/21/87/53/1069218753.db2.gz FWCWGTKKAWDPSI-DLBZAZTESA-N 1 0 409.531 -0.040 20 0 HBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000536583248 1069218843 /nfs/dbraw/zinc/21/88/43/1069218843.db2.gz FWCWGTKKAWDPSI-IAGOWNOFSA-N 1 0 409.531 -0.040 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000536583249 1069218653 /nfs/dbraw/zinc/21/86/53/1069218653.db2.gz FWCWGTKKAWDPSI-IRXDYDNUSA-N 1 0 409.531 -0.040 20 0 HBADRO COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000536583250 1069218706 /nfs/dbraw/zinc/21/87/06/1069218706.db2.gz FWCWGTKKAWDPSI-SJORKVTESA-N 1 0 409.531 -0.040 20 0 HBADRO CNc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000536615115 1069222823 /nfs/dbraw/zinc/22/28/23/1069222823.db2.gz MKVCKKSCZZYQFP-PBGAUENZSA-N 1 0 420.514 -0.321 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000536638209 1069232219 /nfs/dbraw/zinc/23/22/19/1069232219.db2.gz JSMLKYVDRMMWCI-INIZCTEOSA-N 1 0 404.471 -0.018 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000536638210 1069232256 /nfs/dbraw/zinc/23/22/56/1069232256.db2.gz JSMLKYVDRMMWCI-MRXNPFEDSA-N 1 0 404.471 -0.018 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 ZINC000536638237 1069231986 /nfs/dbraw/zinc/23/19/86/1069231986.db2.gz LPQUNAKNVJHVEV-KRWDZBQOSA-N 1 0 416.482 -0.018 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 ZINC000536638238 1069232563 /nfs/dbraw/zinc/23/25/63/1069232563.db2.gz LPQUNAKNVJHVEV-QGZVFWFLSA-N 1 0 416.482 -0.018 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000536639557 1069232606 /nfs/dbraw/zinc/23/26/06/1069232606.db2.gz NXXPTYFUBOKAND-UHFFFAOYSA-N 1 0 401.471 -0.737 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cc2)c1=O ZINC000536639645 1069263682 /nfs/dbraw/zinc/26/36/82/1069263682.db2.gz SGWFGUVDARJVFN-UHFFFAOYSA-N 1 0 415.498 -0.348 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000536641831 1069303377 /nfs/dbraw/zinc/30/33/77/1069303377.db2.gz GJLQARMSZOCYES-INIZCTEOSA-N 1 0 402.455 -0.264 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000536641832 1069303290 /nfs/dbraw/zinc/30/32/90/1069303290.db2.gz GJLQARMSZOCYES-MRXNPFEDSA-N 1 0 402.455 -0.264 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000536646756 1069326553 /nfs/dbraw/zinc/32/65/53/1069326553.db2.gz PMUFWDJSEZDDNW-KRWDZBQOSA-N 1 0 416.482 -0.282 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000536646760 1069326593 /nfs/dbraw/zinc/32/65/93/1069326593.db2.gz PMUFWDJSEZDDNW-QGZVFWFLSA-N 1 0 416.482 -0.282 20 0 HBADRO CN(c1nc2c(cnn2C)c(=O)[nH]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000536646811 1069326423 /nfs/dbraw/zinc/32/64/23/1069326423.db2.gz UMNPCUJIXFHWRJ-UHFFFAOYSA-N 1 0 402.503 -0.257 20 0 HBADRO CN(CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000536654128 1069325822 /nfs/dbraw/zinc/32/58/22/1069325822.db2.gz HIEIKQFRJZTGKW-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO COC(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cn1 ZINC000536698667 1069326975 /nfs/dbraw/zinc/32/69/75/1069326975.db2.gz JCYWNKIWAMGOOJ-UHFFFAOYSA-N 1 0 400.501 -0.463 20 0 HBADRO CN1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000536755917 1069329281 /nfs/dbraw/zinc/32/92/81/1069329281.db2.gz KUBBSJAWXVYWAK-UHFFFAOYSA-N 1 0 423.539 -0.242 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cn1C ZINC000536761934 1069691131 /nfs/dbraw/zinc/69/11/31/1069691131.db2.gz ZADCZRMPMBITFU-UHFFFAOYSA-N 1 0 403.472 -0.203 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)o1 ZINC000536767598 1069693709 /nfs/dbraw/zinc/69/37/09/1069693709.db2.gz SGTIESAEOZJOSL-UHFFFAOYSA-N 1 0 418.439 -0.553 20 0 HBADRO O=S(=O)(CC[NH2+]C1CCN(CCN2CCOCC2)CC1)NC[C@@H]1CCCCO1 ZINC000536861524 1069329525 /nfs/dbraw/zinc/32/95/25/1069329525.db2.gz DLIWLGIGOOLMLG-IBGZPJMESA-N 1 0 418.604 -0.139 20 0 HBADRO O=S(=O)(CC[NH2+]C1CCN(CCN2CCOCC2)CC1)NC[C@H]1CCCCO1 ZINC000536861554 1069329600 /nfs/dbraw/zinc/32/96/00/1069329600.db2.gz DLIWLGIGOOLMLG-LJQANCHMSA-N 1 0 418.604 -0.139 20 0 HBADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)s1 ZINC000536901200 1069329937 /nfs/dbraw/zinc/32/99/37/1069329937.db2.gz NYMCTVYYMBAYJG-AWEZNQCLSA-N 1 0 413.587 -0.179 20 0 HBADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)s1 ZINC000536901208 1069330324 /nfs/dbraw/zinc/33/03/24/1069330324.db2.gz NYMCTVYYMBAYJG-CQSZACIVSA-N 1 0 413.587 -0.179 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)CC1 ZINC000536948449 1069333603 /nfs/dbraw/zinc/33/36/03/1069333603.db2.gz TYPAPOOHTWRRGQ-UHFFFAOYSA-N 1 0 407.471 -0.237 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000536948597 1069333284 /nfs/dbraw/zinc/33/32/84/1069333284.db2.gz ZNCABLUDXZJJKF-UHFFFAOYSA-N 1 0 407.446 -0.124 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000536963061 1069330971 /nfs/dbraw/zinc/33/09/71/1069330971.db2.gz OYARAZRIMKNRQU-CYBMUJFWSA-N 1 0 407.471 -0.156 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1C ZINC000536963062 1069331517 /nfs/dbraw/zinc/33/15/17/1069331517.db2.gz OYARAZRIMKNRQU-ZDUSSCGKSA-N 1 0 407.471 -0.156 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)C1 ZINC000536965153 1069331615 /nfs/dbraw/zinc/33/16/15/1069331615.db2.gz OZANZPYZWHDJDW-CYBMUJFWSA-N 1 0 414.484 -0.158 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)C1 ZINC000536965154 1069331472 /nfs/dbraw/zinc/33/14/72/1069331472.db2.gz OZANZPYZWHDJDW-ZDUSSCGKSA-N 1 0 414.484 -0.158 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000536970265 1069332616 /nfs/dbraw/zinc/33/26/16/1069332616.db2.gz YAXGYYKHQYTRKA-HNNXBMFYSA-N 1 0 407.446 -0.078 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000536970266 1069332689 /nfs/dbraw/zinc/33/26/89/1069332689.db2.gz YAXGYYKHQYTRKA-OAHLLOKOSA-N 1 0 407.446 -0.078 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000536977433 1069335038 /nfs/dbraw/zinc/33/50/38/1069335038.db2.gz SMQZBWBLZDELLK-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc(S(C)(=O)=O)c1 ZINC000536978558 1069334983 /nfs/dbraw/zinc/33/49/83/1069334983.db2.gz RQFBXSQKLPORKB-UHFFFAOYSA-N 1 0 420.447 -0.140 20 0 HBADRO COCC1(C)CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000536987908 1069333232 /nfs/dbraw/zinc/33/32/32/1069333232.db2.gz QUGNXJWLZMTLDJ-UHFFFAOYSA-N 1 0 408.503 -0.226 20 0 HBADRO NC(=O)NC(=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000536990229 1069334161 /nfs/dbraw/zinc/33/41/61/1069334161.db2.gz QYLZKVNXYVFEJJ-UHFFFAOYSA-N 1 0 407.496 -0.082 20 0 HBADRO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000536991020 1069334744 /nfs/dbraw/zinc/33/47/44/1069334744.db2.gz XHMWOWOJCJRBHB-UHFFFAOYSA-N 1 0 419.482 -0.169 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1NS(C)(=O)=O ZINC000536999178 1069336296 /nfs/dbraw/zinc/33/62/96/1069336296.db2.gz BCPUZDHORBYVFM-CYBMUJFWSA-N 1 0 414.484 -0.206 20 0 HBADRO COc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1NS(C)(=O)=O ZINC000536999179 1069335992 /nfs/dbraw/zinc/33/59/92/1069335992.db2.gz BCPUZDHORBYVFM-ZDUSSCGKSA-N 1 0 414.484 -0.206 20 0 HBADRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000537027320 1069338473 /nfs/dbraw/zinc/33/84/73/1069338473.db2.gz RHXQXPRZNHZIGO-IBGZPJMESA-N 1 0 404.511 -0.297 20 0 HBADRO O=C(C[NH2+][C@H](CCO)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000537027321 1069338266 /nfs/dbraw/zinc/33/82/66/1069338266.db2.gz RHXQXPRZNHZIGO-LJQANCHMSA-N 1 0 404.511 -0.297 20 0 HBADRO COCCN(C(=O)CN(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000537031455 1069339005 /nfs/dbraw/zinc/33/90/05/1069339005.db2.gz QKWLNSBSPYVNBW-GOSISDBHSA-N 1 0 418.604 -0.394 20 0 HBADRO COCCN(C(=O)CN(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000537031456 1069338899 /nfs/dbraw/zinc/33/88/99/1069338899.db2.gz QKWLNSBSPYVNBW-SFHVURJKSA-N 1 0 418.604 -0.394 20 0 HBADRO CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000537036033 1069338938 /nfs/dbraw/zinc/33/89/38/1069338938.db2.gz INSWRCSLCISBIX-HNNXBMFYSA-N 1 0 411.528 -0.346 20 0 HBADRO CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000537036034 1069338836 /nfs/dbraw/zinc/33/88/36/1069338836.db2.gz INSWRCSLCISBIX-OAHLLOKOSA-N 1 0 411.528 -0.346 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000537064225 1069339866 /nfs/dbraw/zinc/33/98/66/1069339866.db2.gz VLWVZAVQKBMJSH-GFCCVEGCSA-N 1 0 420.495 -0.307 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000537064226 1069339984 /nfs/dbraw/zinc/33/99/84/1069339984.db2.gz VLWVZAVQKBMJSH-LBPRGKRZSA-N 1 0 420.495 -0.307 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000537065825 1069339850 /nfs/dbraw/zinc/33/98/50/1069339850.db2.gz BZGVSIRROFGXEH-UHFFFAOYSA-N 1 0 419.530 -0.114 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000537068984 1069340383 /nfs/dbraw/zinc/34/03/83/1069340383.db2.gz ZGUICCAUIFKQQP-CABCVRRESA-N 1 0 419.530 -0.026 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000537068985 1069340555 /nfs/dbraw/zinc/34/05/55/1069340555.db2.gz ZGUICCAUIFKQQP-GJZGRUSLSA-N 1 0 419.530 -0.026 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000537068986 1069340468 /nfs/dbraw/zinc/34/04/68/1069340468.db2.gz ZGUICCAUIFKQQP-HUUCEWRRSA-N 1 0 419.530 -0.026 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000537068987 1069340308 /nfs/dbraw/zinc/34/03/08/1069340308.db2.gz ZGUICCAUIFKQQP-LSDHHAIUSA-N 1 0 419.530 -0.026 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3c(OC)ncnc3N(C)C)C2)CC1 ZINC000537070726 1069341052 /nfs/dbraw/zinc/34/10/52/1069341052.db2.gz QDMMERQJUPIBGS-AWEZNQCLSA-N 1 0 405.503 -0.272 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3c(OC)ncnc3N(C)C)C2)CC1 ZINC000537070727 1069340952 /nfs/dbraw/zinc/34/09/52/1069340952.db2.gz QDMMERQJUPIBGS-CQSZACIVSA-N 1 0 405.503 -0.272 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2)CC1 ZINC000537070930 1069341098 /nfs/dbraw/zinc/34/10/98/1069341098.db2.gz ZBGBJSCJJRFHMJ-HNNXBMFYSA-N 1 0 416.461 -0.022 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2)CC1 ZINC000537070931 1069340834 /nfs/dbraw/zinc/34/08/34/1069340834.db2.gz ZBGBJSCJJRFHMJ-OAHLLOKOSA-N 1 0 416.461 -0.022 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000537071909 1069340869 /nfs/dbraw/zinc/34/08/69/1069340869.db2.gz LAQMXEPVQZBNNW-GFCCVEGCSA-N 1 0 407.475 -0.807 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000537071910 1069340779 /nfs/dbraw/zinc/34/07/79/1069340779.db2.gz LAQMXEPVQZBNNW-LBPRGKRZSA-N 1 0 407.475 -0.807 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000537072943 1069341035 /nfs/dbraw/zinc/34/10/35/1069341035.db2.gz CUZJKPPAYSKZLP-AWEZNQCLSA-N 1 0 412.516 -0.372 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000537072944 1069340981 /nfs/dbraw/zinc/34/09/81/1069340981.db2.gz CUZJKPPAYSKZLP-CQSZACIVSA-N 1 0 412.516 -0.372 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000537079419 1069341308 /nfs/dbraw/zinc/34/13/08/1069341308.db2.gz QQQPIBLWLWGUHH-AWEZNQCLSA-N 1 0 404.406 -0.804 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000537079420 1069341524 /nfs/dbraw/zinc/34/15/24/1069341524.db2.gz QQQPIBLWLWGUHH-CQSZACIVSA-N 1 0 404.406 -0.804 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000537080623 1069341274 /nfs/dbraw/zinc/34/12/74/1069341274.db2.gz NREMSYULQNIIPY-UHFFFAOYSA-N 1 0 405.503 -0.270 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000537081102 1069341660 /nfs/dbraw/zinc/34/16/60/1069341660.db2.gz IMZJQGWCWKQCGM-UHFFFAOYSA-N 1 0 404.450 -0.118 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000537099696 1069341863 /nfs/dbraw/zinc/34/18/63/1069341863.db2.gz NGWQXSVKCVCKPO-GFCCVEGCSA-N 1 0 420.495 -0.307 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000537099697 1069342244 /nfs/dbraw/zinc/34/22/44/1069342244.db2.gz NGWQXSVKCVCKPO-LBPRGKRZSA-N 1 0 420.495 -0.307 20 0 HBADRO COC(=O)CC[N@@H+]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](C)C1 ZINC000537118636 1069342118 /nfs/dbraw/zinc/34/21/18/1069342118.db2.gz WNEAUUYECBTPCG-AWEZNQCLSA-N 1 0 406.487 -0.607 20 0 HBADRO COC(=O)CC[N@@H+]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H](C)C1 ZINC000537118637 1069341934 /nfs/dbraw/zinc/34/19/34/1069341934.db2.gz WNEAUUYECBTPCG-CQSZACIVSA-N 1 0 406.487 -0.607 20 0 HBADRO Cn1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)c(=O)n(C)c1=O ZINC000537246930 1069347738 /nfs/dbraw/zinc/34/77/38/1069347738.db2.gz SWXIZBPRVGYUKJ-UHFFFAOYSA-N 1 0 422.507 -0.464 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000537277487 1069348617 /nfs/dbraw/zinc/34/86/17/1069348617.db2.gz HLBWDDXODNKVIK-KRWDZBQOSA-N 1 0 412.494 -0.120 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000537277488 1069348689 /nfs/dbraw/zinc/34/86/89/1069348689.db2.gz HLBWDDXODNKVIK-QGZVFWFLSA-N 1 0 412.494 -0.120 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)ccn2)CC1 ZINC000537279194 1069348959 /nfs/dbraw/zinc/34/89/59/1069348959.db2.gz JBUHHCGCNFSZAM-UHFFFAOYSA-N 1 0 411.466 -0.547 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)ccn2)CC1 ZINC000537281644 1069349142 /nfs/dbraw/zinc/34/91/42/1069349142.db2.gz SQNJXPWARWGXAT-INIZCTEOSA-N 1 0 402.499 -0.040 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)ccn2)CC1 ZINC000537281649 1069349200 /nfs/dbraw/zinc/34/92/00/1069349200.db2.gz SQNJXPWARWGXAT-MRXNPFEDSA-N 1 0 402.499 -0.040 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000537312947 1069351260 /nfs/dbraw/zinc/35/12/60/1069351260.db2.gz ZORJBQSSCMMBGT-UHFFFAOYSA-N 1 0 405.480 -0.050 20 0 HBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000537313478 1069351479 /nfs/dbraw/zinc/35/14/79/1069351479.db2.gz BNQZXLBUVJHLEJ-UHFFFAOYSA-N 1 0 420.495 -0.053 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000537320124 1069352108 /nfs/dbraw/zinc/35/21/08/1069352108.db2.gz BTUYWJSWNWQXSF-DOTOQJQBSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000537320128 1069352399 /nfs/dbraw/zinc/35/23/99/1069352399.db2.gz BTUYWJSWNWQXSF-NVXWUHKLSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000537320129 1069352158 /nfs/dbraw/zinc/35/21/58/1069352158.db2.gz BTUYWJSWNWQXSF-RDJZCZTQSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000537320130 1069352206 /nfs/dbraw/zinc/35/22/06/1069352206.db2.gz BTUYWJSWNWQXSF-WBVHZDCISA-N 1 0 407.496 -0.470 20 0 HBADRO O=C(CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000537351320 1069353787 /nfs/dbraw/zinc/35/37/87/1069353787.db2.gz LFAXDWMIVCLKPD-UHFFFAOYSA-N 1 0 405.503 -0.463 20 0 HBADRO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCN1S(C)(=O)=O ZINC000537371246 1069355605 /nfs/dbraw/zinc/35/56/05/1069355605.db2.gz DGGYXCPXTAYOHU-GJZGRUSLSA-N 1 0 403.549 -0.396 20 0 HBADRO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1S(C)(=O)=O ZINC000537371252 1069355543 /nfs/dbraw/zinc/35/55/43/1069355543.db2.gz DGGYXCPXTAYOHU-LSDHHAIUSA-N 1 0 403.549 -0.396 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(=O)N3CCOCC3)ccc2oc1=O ZINC000537382365 1069356538 /nfs/dbraw/zinc/35/65/38/1069356538.db2.gz DNZDUSPDRNOMNK-UHFFFAOYSA-N 1 0 419.438 -0.930 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000537384017 1069356327 /nfs/dbraw/zinc/35/63/27/1069356327.db2.gz QFQHLZDPHKLNNL-UHFFFAOYSA-N 1 0 405.455 -0.510 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(=O)n(C)c1=O ZINC000537396802 1069357653 /nfs/dbraw/zinc/35/76/53/1069357653.db2.gz LRBKTQGISOOJLS-CYBMUJFWSA-N 1 0 408.484 -0.580 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(=O)n(C)c1=O ZINC000537396804 1069357849 /nfs/dbraw/zinc/35/78/49/1069357849.db2.gz LRBKTQGISOOJLS-ZDUSSCGKSA-N 1 0 408.484 -0.580 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000537397360 1069357783 /nfs/dbraw/zinc/35/77/83/1069357783.db2.gz YCGAGLAYLJHCCF-UHFFFAOYSA-N 1 0 409.468 -0.225 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000537410377 1069358035 /nfs/dbraw/zinc/35/80/35/1069358035.db2.gz FKNSJEQXWRSRQE-UHFFFAOYSA-N 1 0 418.541 -0.433 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)CC1 ZINC000537426602 1069359701 /nfs/dbraw/zinc/35/97/01/1069359701.db2.gz GTSPVLVACXXFDM-UHFFFAOYSA-N 1 0 423.514 -0.512 20 0 HBADRO O=C(CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)NC1CC[NH+](C2CC2)CC1 ZINC000537427057 1069359228 /nfs/dbraw/zinc/35/92/28/1069359228.db2.gz KBWKBZWYPOCEGX-UHFFFAOYSA-N 1 0 421.498 -0.758 20 0 HBADRO CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000537437978 1069358789 /nfs/dbraw/zinc/35/87/89/1069358789.db2.gz IRLHNGZSIIDUHB-NRFANRHFSA-N 1 0 419.526 -0.282 20 0 HBADRO CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000537437979 1069359009 /nfs/dbraw/zinc/35/90/09/1069359009.db2.gz IRLHNGZSIIDUHB-OAQYLSRUSA-N 1 0 419.526 -0.282 20 0 HBADRO COC(=O)C1(O)CCN(c2cc(N3CCC(O)(C(=O)OC)CC3)[nH+]c(C)n2)CC1 ZINC000537675582 1069490381 /nfs/dbraw/zinc/49/03/81/1069490381.db2.gz OREKSSYTLKOZJQ-UHFFFAOYSA-N 1 0 408.455 -0.206 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000537771124 1069608019 /nfs/dbraw/zinc/60/80/19/1069608019.db2.gz HFKPAOVSVZGFJC-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000537771142 1069607813 /nfs/dbraw/zinc/60/78/13/1069607813.db2.gz HFKPAOVSVZGFJC-GJZGRUSLSA-N 1 0 403.549 -0.348 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000537771144 1069607899 /nfs/dbraw/zinc/60/78/99/1069607899.db2.gz HFKPAOVSVZGFJC-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000537771145 1069607832 /nfs/dbraw/zinc/60/78/32/1069607832.db2.gz HFKPAOVSVZGFJC-LSDHHAIUSA-N 1 0 403.549 -0.348 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(CC(C)C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537798549 1069609432 /nfs/dbraw/zinc/60/94/32/1069609432.db2.gz FKJFILIWVMLOPA-HOTGVXAUSA-N 1 0 410.606 -0.350 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(CC(C)C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000537798550 1069609483 /nfs/dbraw/zinc/60/94/83/1069609483.db2.gz FKJFILIWVMLOPA-HZPDHXFCSA-N 1 0 410.606 -0.350 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537798551 1069609671 /nfs/dbraw/zinc/60/96/71/1069609671.db2.gz FKJFILIWVMLOPA-PHZGNYQRSA-N 1 0 410.606 -0.350 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000537806385 1069612246 /nfs/dbraw/zinc/61/22/46/1069612246.db2.gz GRCMFZJNQIOZOE-ARFHVFGLSA-N 1 0 410.606 -0.208 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000537806386 1069612143 /nfs/dbraw/zinc/61/21/43/1069612143.db2.gz GRCMFZJNQIOZOE-BZUAXINKSA-N 1 0 410.606 -0.208 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537806387 1069612096 /nfs/dbraw/zinc/61/20/96/1069612096.db2.gz GRCMFZJNQIOZOE-OAGGEKHMSA-N 1 0 410.606 -0.208 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537806388 1069612270 /nfs/dbraw/zinc/61/22/70/1069612270.db2.gz GRCMFZJNQIOZOE-XHSDSOJGSA-N 1 0 410.606 -0.208 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000537829014 1069614283 /nfs/dbraw/zinc/61/42/83/1069614283.db2.gz FZQUSISOLBRVRL-AWEZNQCLSA-N 1 0 401.471 -0.738 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000537829021 1069614391 /nfs/dbraw/zinc/61/43/91/1069614391.db2.gz FZQUSISOLBRVRL-CQSZACIVSA-N 1 0 401.471 -0.738 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000537830807 1069614828 /nfs/dbraw/zinc/61/48/28/1069614828.db2.gz ODQOEVDJFIXANM-UHFFFAOYSA-N 1 0 415.498 -0.347 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)cc2)c1=O ZINC000537833893 1069612970 /nfs/dbraw/zinc/61/29/70/1069612970.db2.gz JAEJJMDKAAUQLW-UHFFFAOYSA-N 1 0 416.482 -0.185 20 0 HBADRO O=C(CCn1nnc2ccccc2c1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000537836496 1069613534 /nfs/dbraw/zinc/61/35/34/1069613534.db2.gz LLNMMXURQAKNOB-UHFFFAOYSA-N 1 0 401.467 -0.133 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1CCN(c3cc[nH+]cc3)CC1)c(=O)n2C ZINC000537900222 1069618821 /nfs/dbraw/zinc/61/88/21/1069618821.db2.gz NQCYAGGKIAOEPA-UHFFFAOYSA-N 1 0 411.466 -0.139 20 0 HBADRO Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000538046003 1069626701 /nfs/dbraw/zinc/62/67/01/1069626701.db2.gz UPCUATRVGIXXRZ-UHFFFAOYSA-N 1 0 413.548 -0.104 20 0 HBADRO COCCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000538057956 1069628040 /nfs/dbraw/zinc/62/80/40/1069628040.db2.gz JAJGYMJVYSQYFS-CVEARBPZSA-N 1 0 418.560 -0.191 20 0 HBADRO COCCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000538057957 1069628138 /nfs/dbraw/zinc/62/81/38/1069628138.db2.gz JAJGYMJVYSQYFS-HOTGVXAUSA-N 1 0 418.560 -0.191 20 0 HBADRO COCCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000538057958 1069628022 /nfs/dbraw/zinc/62/80/22/1069628022.db2.gz JAJGYMJVYSQYFS-HZPDHXFCSA-N 1 0 418.560 -0.191 20 0 HBADRO COCCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000538057959 1069628106 /nfs/dbraw/zinc/62/81/06/1069628106.db2.gz JAJGYMJVYSQYFS-JKSUJKDBSA-N 1 0 418.560 -0.191 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000538059400 1069628072 /nfs/dbraw/zinc/62/80/72/1069628072.db2.gz CGCINAFWABJLDN-HNNXBMFYSA-N 1 0 404.467 -0.133 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000538059404 1069628726 /nfs/dbraw/zinc/62/87/26/1069628726.db2.gz CGCINAFWABJLDN-OAHLLOKOSA-N 1 0 404.467 -0.133 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000538065180 1069629998 /nfs/dbraw/zinc/62/99/98/1069629998.db2.gz LDVSZHWAMZWFKW-JTQLQIEISA-N 1 0 401.261 -0.077 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000538065181 1069630147 /nfs/dbraw/zinc/63/01/47/1069630147.db2.gz LDVSZHWAMZWFKW-SNVBAGLBSA-N 1 0 401.261 -0.077 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C(N)=O ZINC000538090739 1069633969 /nfs/dbraw/zinc/63/39/69/1069633969.db2.gz QCMIINYUNSVZFB-HNNXBMFYSA-N 1 0 418.498 -0.246 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C(N)=O ZINC000538090740 1069634717 /nfs/dbraw/zinc/63/47/17/1069634717.db2.gz QCMIINYUNSVZFB-OAHLLOKOSA-N 1 0 418.498 -0.246 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000538094349 1069635424 /nfs/dbraw/zinc/63/54/24/1069635424.db2.gz WLOKIBFZIKWDQD-INIZCTEOSA-N 1 0 423.539 -0.101 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000538094350 1069635408 /nfs/dbraw/zinc/63/54/08/1069635408.db2.gz WLOKIBFZIKWDQD-MRXNPFEDSA-N 1 0 423.539 -0.101 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc2)CC1 ZINC000538096949 1069635467 /nfs/dbraw/zinc/63/54/67/1069635467.db2.gz FPHMBBVPXSCQDK-UHFFFAOYSA-N 1 0 404.471 -0.536 20 0 HBADRO NC(=O)NC(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000538096991 1069635502 /nfs/dbraw/zinc/63/55/02/1069635502.db2.gz KIUUPGGSPCLXQY-UHFFFAOYSA-N 1 0 416.482 -0.142 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCC(=O)NC(N)=O ZINC000538097222 1069636109 /nfs/dbraw/zinc/63/61/09/1069636109.db2.gz AORQQCFGLLBBSM-UHFFFAOYSA-N 1 0 420.470 -0.523 20 0 HBADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000538098205 1069636570 /nfs/dbraw/zinc/63/65/70/1069636570.db2.gz ARJZPSXIVUEOPB-UHFFFAOYSA-N 1 0 403.439 -0.311 20 0 HBADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000538099736 1069636614 /nfs/dbraw/zinc/63/66/14/1069636614.db2.gz ZUGNUGCBUPVOPH-UHFFFAOYSA-N 1 0 415.494 -0.003 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000538103674 1069638090 /nfs/dbraw/zinc/63/80/90/1069638090.db2.gz AVMNRDGEJMNBPN-HNNXBMFYSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000538103675 1069638046 /nfs/dbraw/zinc/63/80/46/1069638046.db2.gz AVMNRDGEJMNBPN-OAHLLOKOSA-N 1 0 405.430 -0.372 20 0 HBADRO CN(CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC[NH+](C)CC1 ZINC000538133283 1069640696 /nfs/dbraw/zinc/64/06/96/1069640696.db2.gz UHVZDNKXFYKRGZ-UHFFFAOYSA-N 1 0 409.512 -0.137 20 0 HBADRO CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1C ZINC000538136556 1069639449 /nfs/dbraw/zinc/63/94/49/1069639449.db2.gz NTPPWXGOIHIWDO-UHFFFAOYSA-N 1 0 411.528 -0.344 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000538162207 1069641560 /nfs/dbraw/zinc/64/15/60/1069641560.db2.gz BEBLFAZMBVFHTF-GFCCVEGCSA-N 1 0 401.514 -0.043 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000538162208 1069641428 /nfs/dbraw/zinc/64/14/28/1069641428.db2.gz BEBLFAZMBVFHTF-LBPRGKRZSA-N 1 0 401.514 -0.043 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000538162905 1069641416 /nfs/dbraw/zinc/64/14/16/1069641416.db2.gz PTGLWXAVIIBUJF-CYBMUJFWSA-N 1 0 420.557 -0.357 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000538162911 1069641439 /nfs/dbraw/zinc/64/14/39/1069641439.db2.gz PTGLWXAVIIBUJF-ZDUSSCGKSA-N 1 0 420.557 -0.357 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000538164598 1069642223 /nfs/dbraw/zinc/64/22/23/1069642223.db2.gz VRDFSSIGFGJFMM-OBJOEFQTSA-N 1 0 403.526 -0.063 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000538164599 1069642328 /nfs/dbraw/zinc/64/23/28/1069642328.db2.gz VRDFSSIGFGJFMM-OUCADQQQSA-N 1 0 403.526 -0.063 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000538164600 1069642392 /nfs/dbraw/zinc/64/23/92/1069642392.db2.gz VRDFSSIGFGJFMM-SCRDCRAPSA-N 1 0 403.526 -0.063 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000538164601 1069642301 /nfs/dbraw/zinc/64/23/01/1069642301.db2.gz VRDFSSIGFGJFMM-SGMGOOAPSA-N 1 0 403.526 -0.063 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000538170653 1069645468 /nfs/dbraw/zinc/64/54/68/1069645468.db2.gz DWHZYDGVKKIIKT-GFCCVEGCSA-N 1 0 418.433 -0.557 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000538170658 1069645639 /nfs/dbraw/zinc/64/56/39/1069645639.db2.gz DWHZYDGVKKIIKT-LBPRGKRZSA-N 1 0 418.433 -0.557 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000538176427 1069646266 /nfs/dbraw/zinc/64/62/66/1069646266.db2.gz ZFASZDHXPZGIGQ-CYBMUJFWSA-N 1 0 419.486 -0.745 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000538176430 1069646331 /nfs/dbraw/zinc/64/63/31/1069646331.db2.gz ZFASZDHXPZGIGQ-ZDUSSCGKSA-N 1 0 419.486 -0.745 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000538178949 1069646322 /nfs/dbraw/zinc/64/63/22/1069646322.db2.gz BBNGZWUMGRSSOB-AWEZNQCLSA-N 1 0 406.487 -0.470 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC000538178950 1069646249 /nfs/dbraw/zinc/64/62/49/1069646249.db2.gz BBNGZWUMGRSSOB-CQSZACIVSA-N 1 0 406.487 -0.470 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000538181013 1069646859 /nfs/dbraw/zinc/64/68/59/1069646859.db2.gz STYPIMCJODRVCW-UHFFFAOYSA-N 1 0 412.516 -0.418 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000538181199 1069642769 /nfs/dbraw/zinc/64/27/69/1069642769.db2.gz BYWOSHAOOJGASU-AWEZNQCLSA-N 1 0 407.519 -0.122 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000538181206 1069642921 /nfs/dbraw/zinc/64/29/21/1069642921.db2.gz BYWOSHAOOJGASU-CQSZACIVSA-N 1 0 407.519 -0.122 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000538184142 1069642821 /nfs/dbraw/zinc/64/28/21/1069642821.db2.gz LVLULDGXVYZNOA-UHFFFAOYSA-N 1 0 414.532 -0.078 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000538185673 1069647092 /nfs/dbraw/zinc/64/70/92/1069647092.db2.gz VIPRDJJLMAVGIO-UHFFFAOYSA-N 1 0 419.530 -0.241 20 0 HBADRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)C(=O)N1CCOCC1 ZINC000538195429 1069646912 /nfs/dbraw/zinc/64/69/12/1069646912.db2.gz QLJVDWUIBHKZRT-IBGZPJMESA-N 1 0 406.483 -0.360 20 0 HBADRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)C(=O)N1CCOCC1 ZINC000538195435 1069647154 /nfs/dbraw/zinc/64/71/54/1069647154.db2.gz QLJVDWUIBHKZRT-LJQANCHMSA-N 1 0 406.483 -0.360 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000538235566 1069650346 /nfs/dbraw/zinc/65/03/46/1069650346.db2.gz AFRSBBGOIOLGFW-UHFFFAOYSA-N 1 0 419.526 -0.612 20 0 HBADRO CC(C)[C@H]([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(=O)N1CCOCC1 ZINC000538256855 1069652275 /nfs/dbraw/zinc/65/22/75/1069652275.db2.gz CXCRYFLQYMIPJZ-KRWDZBQOSA-N 1 0 420.576 -0.364 20 0 HBADRO CC(C)[C@@H]([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(=O)N1CCOCC1 ZINC000538256858 1069652326 /nfs/dbraw/zinc/65/23/26/1069652326.db2.gz CXCRYFLQYMIPJZ-QGZVFWFLSA-N 1 0 420.576 -0.364 20 0 HBADRO CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 ZINC000538256950 1069652506 /nfs/dbraw/zinc/65/25/06/1069652506.db2.gz UGJHUGFDPFGYEJ-GOSISDBHSA-N 1 0 404.515 -0.012 20 0 HBADRO CC(C)[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 ZINC000538256953 1069652484 /nfs/dbraw/zinc/65/24/84/1069652484.db2.gz UGJHUGFDPFGYEJ-SFHVURJKSA-N 1 0 404.515 -0.012 20 0 HBADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(=O)N1CCOCC1 ZINC000538257885 1069652452 /nfs/dbraw/zinc/65/24/52/1069652452.db2.gz KAFNMZHRHKAUEP-GOSISDBHSA-N 1 0 424.523 -0.304 20 0 HBADRO CC(C)[C@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(=O)N1CCOCC1 ZINC000538257889 1069652300 /nfs/dbraw/zinc/65/23/00/1069652300.db2.gz KAFNMZHRHKAUEP-SFHVURJKSA-N 1 0 424.523 -0.304 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000538259599 1069652353 /nfs/dbraw/zinc/65/23/53/1069652353.db2.gz JFSCEHMZAGYTAX-DOTOQJQBSA-N 1 0 419.544 -0.879 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000538259605 1069652499 /nfs/dbraw/zinc/65/24/99/1069652499.db2.gz JFSCEHMZAGYTAX-NVXWUHKLSA-N 1 0 419.544 -0.879 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000538259607 1069652335 /nfs/dbraw/zinc/65/23/35/1069652335.db2.gz JFSCEHMZAGYTAX-RDJZCZTQSA-N 1 0 419.544 -0.879 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000538259609 1069652365 /nfs/dbraw/zinc/65/23/65/1069652365.db2.gz JFSCEHMZAGYTAX-WBVHZDCISA-N 1 0 419.544 -0.879 20 0 HBADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1 ZINC000538349074 1069658985 /nfs/dbraw/zinc/65/89/85/1069658985.db2.gz LINFFVDBGGMGSH-UHFFFAOYSA-N 1 0 409.556 -0.150 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000538364327 1069658940 /nfs/dbraw/zinc/65/89/40/1069658940.db2.gz FQSRXVCNZFNQSL-UHFFFAOYSA-N 1 0 410.496 -0.072 20 0 HBADRO C[N@H+]1CC=C(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000538370070 1069660641 /nfs/dbraw/zinc/66/06/41/1069660641.db2.gz LWCMQZVFRDQWDQ-UHFFFAOYSA-N 1 0 401.533 -0.411 20 0 HBADRO CS[C@H]1CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1[NH+](C)C ZINC000538376725 1069661306 /nfs/dbraw/zinc/66/13/06/1069661306.db2.gz OCWUYQQIAAQYRC-CVEARBPZSA-N 1 0 418.571 -0.011 20 0 HBADRO CS[C@H]1CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H]1[NH+](C)C ZINC000538376726 1069661345 /nfs/dbraw/zinc/66/13/45/1069661345.db2.gz OCWUYQQIAAQYRC-HOTGVXAUSA-N 1 0 418.571 -0.011 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1[NH+](C)C ZINC000538376727 1069661405 /nfs/dbraw/zinc/66/14/05/1069661405.db2.gz OCWUYQQIAAQYRC-HZPDHXFCSA-N 1 0 418.571 -0.011 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H]1[NH+](C)C ZINC000538376728 1069661337 /nfs/dbraw/zinc/66/13/37/1069661337.db2.gz OCWUYQQIAAQYRC-JKSUJKDBSA-N 1 0 418.571 -0.011 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)ccn2)CC1 ZINC000538377191 1069660570 /nfs/dbraw/zinc/66/05/70/1069660570.db2.gz WRDFGRFEDKQFKQ-KRWDZBQOSA-N 1 0 402.499 -0.136 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)ccn2)CC1 ZINC000538377192 1069661356 /nfs/dbraw/zinc/66/13/56/1069661356.db2.gz WRDFGRFEDKQFKQ-QGZVFWFLSA-N 1 0 402.499 -0.136 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1[NH+](C)C ZINC000538379407 1069658981 /nfs/dbraw/zinc/65/89/81/1069658981.db2.gz DIHRIBOXCFGHEY-ARFHVFGLSA-N 1 0 404.602 -0.705 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1[NH+](C)C ZINC000538379415 1069658740 /nfs/dbraw/zinc/65/87/40/1069658740.db2.gz DIHRIBOXCFGHEY-BZUAXINKSA-N 1 0 404.602 -0.705 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@@H]1[NH+](C)C ZINC000538379418 1069658879 /nfs/dbraw/zinc/65/88/79/1069658879.db2.gz DIHRIBOXCFGHEY-HRCADAONSA-N 1 0 404.602 -0.705 20 0 HBADRO CS[C@@H]1CN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H]1[NH+](C)C ZINC000538379420 1069658907 /nfs/dbraw/zinc/65/89/07/1069658907.db2.gz DIHRIBOXCFGHEY-OWCLPIDISA-N 1 0 404.602 -0.705 20 0 HBADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000538382037 1069658830 /nfs/dbraw/zinc/65/88/30/1069658830.db2.gz HTSOLXPAVFEROL-HNNXBMFYSA-N 1 0 402.499 -0.134 20 0 HBADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000538382038 1069659017 /nfs/dbraw/zinc/65/90/17/1069659017.db2.gz HTSOLXPAVFEROL-OAHLLOKOSA-N 1 0 402.499 -0.134 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000538396832 1069662670 /nfs/dbraw/zinc/66/26/70/1069662670.db2.gz DLHBEPBORGESQR-INIZCTEOSA-N 1 0 407.496 -0.062 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000538396833 1069662757 /nfs/dbraw/zinc/66/27/57/1069662757.db2.gz DLHBEPBORGESQR-MRXNPFEDSA-N 1 0 407.496 -0.062 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000538399907 1069662205 /nfs/dbraw/zinc/66/22/05/1069662205.db2.gz VUTNZEDVEPERCF-UHFFFAOYSA-N 1 0 406.512 -0.536 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000538401153 1069661934 /nfs/dbraw/zinc/66/19/34/1069661934.db2.gz ZSYRCFVJBBZPCE-UHFFFAOYSA-N 1 0 412.512 -0.855 20 0 HBADRO Cn1cc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(=O)n(C)c1=O ZINC000538409966 1069664913 /nfs/dbraw/zinc/66/49/13/1069664913.db2.gz ICKHTYULJIKPFE-INIZCTEOSA-N 1 0 415.498 -0.531 20 0 HBADRO Cn1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(=O)n(C)c1=O ZINC000538409967 1069665001 /nfs/dbraw/zinc/66/50/01/1069665001.db2.gz ICKHTYULJIKPFE-MRXNPFEDSA-N 1 0 415.498 -0.531 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cn2)cc1 ZINC000538413046 1069665542 /nfs/dbraw/zinc/66/55/42/1069665542.db2.gz VOUIQNJEOYVKKY-UHFFFAOYSA-N 1 0 405.480 -0.050 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(S(N)(=O)=O)cn2)c1 ZINC000538414014 1069665620 /nfs/dbraw/zinc/66/56/20/1069665620.db2.gz QWTJYYCQYJYBDX-UHFFFAOYSA-N 1 0 405.480 -0.050 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000538420676 1069663608 /nfs/dbraw/zinc/66/36/08/1069663608.db2.gz SEVUNFXNUSYWTC-DOTOQJQBSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000538420679 1069663526 /nfs/dbraw/zinc/66/35/26/1069663526.db2.gz SEVUNFXNUSYWTC-NVXWUHKLSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000538420681 1069663595 /nfs/dbraw/zinc/66/35/95/1069663595.db2.gz SEVUNFXNUSYWTC-RDJZCZTQSA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000538420683 1069663456 /nfs/dbraw/zinc/66/34/56/1069663456.db2.gz SEVUNFXNUSYWTC-WBVHZDCISA-N 1 0 407.496 -0.470 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000538426259 1069667653 /nfs/dbraw/zinc/66/76/53/1069667653.db2.gz FSGXQEIBQGSALK-UHFFFAOYSA-N 1 0 420.495 -0.005 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000538464836 1069671138 /nfs/dbraw/zinc/67/11/38/1069671138.db2.gz LXXACLPWCYOFSB-UHFFFAOYSA-N 1 0 411.547 -0.029 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cc2)CC1 ZINC000538483733 1069675188 /nfs/dbraw/zinc/67/51/88/1069675188.db2.gz AGROZCJBJUTHOK-UHFFFAOYSA-N 1 0 417.510 -0.262 20 0 HBADRO Cn1cc(S(=O)(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(=O)n(C)c1=O ZINC000538497824 1069674560 /nfs/dbraw/zinc/67/45/60/1069674560.db2.gz RCPRTTBFKZTURQ-UHFFFAOYSA-N 1 0 422.511 -0.190 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000538514549 1069679370 /nfs/dbraw/zinc/67/93/70/1069679370.db2.gz JPWQNFTVZLBDDS-UHFFFAOYSA-N 1 0 402.473 -0.902 20 0 HBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)cc1 ZINC000538606855 1069684976 /nfs/dbraw/zinc/68/49/76/1069684976.db2.gz PWJROMKWIVYSEG-AWEZNQCLSA-N 1 0 424.523 -0.406 20 0 HBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)cc1 ZINC000538606856 1069685091 /nfs/dbraw/zinc/68/50/91/1069685091.db2.gz PWJROMKWIVYSEG-CQSZACIVSA-N 1 0 424.523 -0.406 20 0 HBADRO O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000538613556 1069685741 /nfs/dbraw/zinc/68/57/41/1069685741.db2.gz AQZRPMRUCXOJFR-INIZCTEOSA-N 1 0 422.507 -0.663 20 0 HBADRO O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000538613560 1069685819 /nfs/dbraw/zinc/68/58/19/1069685819.db2.gz AQZRPMRUCXOJFR-MRXNPFEDSA-N 1 0 422.507 -0.663 20 0 HBADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000538621907 1069685192 /nfs/dbraw/zinc/68/51/92/1069685192.db2.gz OWAVGGVONGBUQW-GFCCVEGCSA-N 1 0 420.495 -0.226 20 0 HBADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000538621909 1069685230 /nfs/dbraw/zinc/68/52/30/1069685230.db2.gz OWAVGGVONGBUQW-LBPRGKRZSA-N 1 0 420.495 -0.226 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCCN(CC(=O)N4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000538623477 1069685038 /nfs/dbraw/zinc/68/50/38/1069685038.db2.gz NMWZAWDSWQJRPW-UHFFFAOYSA-N 1 0 417.514 -0.936 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000538624244 1069685153 /nfs/dbraw/zinc/68/51/53/1069685153.db2.gz ZDCOGOWQIWDRJU-KBPBESRZSA-N 1 0 406.487 -0.703 20 0 HBADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000538624249 1069685101 /nfs/dbraw/zinc/68/51/01/1069685101.db2.gz ZDCOGOWQIWDRJU-KGLIPLIRSA-N 1 0 406.487 -0.703 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000538624250 1069685140 /nfs/dbraw/zinc/68/51/40/1069685140.db2.gz ZDCOGOWQIWDRJU-UONOGXRCSA-N 1 0 406.487 -0.703 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000538624252 1069685170 /nfs/dbraw/zinc/68/51/70/1069685170.db2.gz ZDCOGOWQIWDRJU-ZIAGYGMSSA-N 1 0 406.487 -0.703 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCOCC[NH+](C)C)CC2)cn1C ZINC000538650254 1069687637 /nfs/dbraw/zinc/68/76/37/1069687637.db2.gz QZGBKQHPRJPHCB-UHFFFAOYSA-N 1 0 401.533 -0.176 20 0 HBADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000538650706 1069687319 /nfs/dbraw/zinc/68/73/19/1069687319.db2.gz ABVYDCODKWVJKV-UHFFFAOYSA-N 1 0 402.451 -0.212 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000538757846 1069696117 /nfs/dbraw/zinc/69/61/17/1069696117.db2.gz JBHYJHUTKBLTHA-DLBZAZTESA-N 1 0 419.569 -0.272 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000538757847 1069696317 /nfs/dbraw/zinc/69/63/17/1069696317.db2.gz JBHYJHUTKBLTHA-IAGOWNOFSA-N 1 0 419.569 -0.272 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000538757848 1069696094 /nfs/dbraw/zinc/69/60/94/1069696094.db2.gz JBHYJHUTKBLTHA-IRXDYDNUSA-N 1 0 419.569 -0.272 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000538757849 1069696269 /nfs/dbraw/zinc/69/62/69/1069696269.db2.gz JBHYJHUTKBLTHA-SJORKVTESA-N 1 0 419.569 -0.272 20 0 HBADRO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000538766856 1069696956 /nfs/dbraw/zinc/69/69/56/1069696956.db2.gz KYQFDNDQFHHYFC-UHFFFAOYSA-N 1 0 418.494 -0.101 20 0 HBADRO COc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1S(N)(=O)=O ZINC000538806805 1069699087 /nfs/dbraw/zinc/69/90/87/1069699087.db2.gz SVMSHIPWYQVHQN-AWEZNQCLSA-N 1 0 412.512 -0.589 20 0 HBADRO COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1S(N)(=O)=O ZINC000538806806 1069699988 /nfs/dbraw/zinc/69/99/88/1069699988.db2.gz SVMSHIPWYQVHQN-CQSZACIVSA-N 1 0 412.512 -0.589 20 0 HBADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000538903287 1069708538 /nfs/dbraw/zinc/70/85/38/1069708538.db2.gz ZBPGALUJBXBNSK-AWEZNQCLSA-N 1 0 404.514 -0.324 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000538903288 1069708372 /nfs/dbraw/zinc/70/83/72/1069708372.db2.gz ZBPGALUJBXBNSK-CQSZACIVSA-N 1 0 404.514 -0.324 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000538920906 1069713259 /nfs/dbraw/zinc/71/32/59/1069713259.db2.gz ZIHNNBSFVYYXLP-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000538920907 1069713093 /nfs/dbraw/zinc/71/30/93/1069713093.db2.gz ZIHNNBSFVYYXLP-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000538920908 1069713304 /nfs/dbraw/zinc/71/33/04/1069713304.db2.gz ZIHNNBSFVYYXLP-HRCADAONSA-N 1 0 400.545 -0.141 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000538920909 1069713190 /nfs/dbraw/zinc/71/31/90/1069713190.db2.gz ZIHNNBSFVYYXLP-OWCLPIDISA-N 1 0 400.545 -0.141 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)cc2)c1=O ZINC000538930695 1069709828 /nfs/dbraw/zinc/70/98/28/1069709828.db2.gz CKSGBVUUZVHSIG-UHFFFAOYSA-N 1 0 402.455 -0.264 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2)c1=O ZINC000538932579 1069710493 /nfs/dbraw/zinc/71/04/93/1069710493.db2.gz OUERGMCSQSKUFP-UHFFFAOYSA-N 1 0 402.455 -0.262 20 0 HBADRO O=C(CNS(=O)(=O)c1cccs1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000538936323 1069711775 /nfs/dbraw/zinc/71/17/75/1069711775.db2.gz KDCZTIRJAFHAOU-UHFFFAOYSA-N 1 0 403.526 -0.288 20 0 HBADRO CC(C)[N@@H+](CC(=O)N1CCN(C)CC1)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961936 1069717381 /nfs/dbraw/zinc/71/73/81/1069717381.db2.gz MNDVAFYVJGTKJF-GOSISDBHSA-N 1 0 406.527 -0.062 20 0 HBADRO CC(C)[N@@H+](CC(=O)N1CCN(C)CC1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961937 1069716987 /nfs/dbraw/zinc/71/69/87/1069716987.db2.gz MNDVAFYVJGTKJF-SFHVURJKSA-N 1 0 406.527 -0.062 20 0 HBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000538971548 1069717160 /nfs/dbraw/zinc/71/71/60/1069717160.db2.gz XHINTPUMZRRTJF-UHFFFAOYSA-N 1 0 417.557 -0.290 20 0 HBADRO Nc1nc(-n2cccn2)cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)[nH+]1 ZINC000538979554 1069692091 /nfs/dbraw/zinc/69/20/91/1069692091.db2.gz ZXSIUGYDDVEBDG-UHFFFAOYSA-N 1 0 408.488 -0.302 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1C ZINC000539160099 1069728078 /nfs/dbraw/zinc/72/80/78/1069728078.db2.gz LQJPFQBQKVBZLJ-UHFFFAOYSA-N 1 0 405.455 -0.483 20 0 HBADRO NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(F)c1 ZINC000539164090 1069728764 /nfs/dbraw/zinc/72/87/64/1069728764.db2.gz VKZXWKVTCHIYCE-UHFFFAOYSA-N 1 0 405.430 -0.370 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)C1 ZINC000539167626 1069729415 /nfs/dbraw/zinc/72/94/15/1069729415.db2.gz MPXJAQGWNNDZOU-CYBMUJFWSA-N 1 0 414.484 -0.158 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)C1 ZINC000539167628 1069730040 /nfs/dbraw/zinc/73/00/40/1069730040.db2.gz MPXJAQGWNNDZOU-ZDUSSCGKSA-N 1 0 414.484 -0.158 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000539177057 1069734091 /nfs/dbraw/zinc/73/40/91/1069734091.db2.gz DDKYXNJLCYHJGV-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000539191314 1069741949 /nfs/dbraw/zinc/74/19/49/1069741949.db2.gz NKJZTNSUGWPFFE-UHFFFAOYSA-N 1 0 417.510 -0.312 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000539197946 1069736135 /nfs/dbraw/zinc/73/61/35/1069736135.db2.gz IYCBBJUZKITMQW-UHFFFAOYSA-N 1 0 412.512 -0.568 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000539199088 1069736162 /nfs/dbraw/zinc/73/61/62/1069736162.db2.gz XWQVPCYPFJOGDZ-UHFFFAOYSA-N 1 0 412.512 -0.568 20 0 HBADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000539199333 1069737092 /nfs/dbraw/zinc/73/70/92/1069737092.db2.gz DNWNTWYKWZKBCU-UHFFFAOYSA-N 1 0 415.494 -0.083 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c2)CC1 ZINC000539199857 1069736614 /nfs/dbraw/zinc/73/66/14/1069736614.db2.gz QKXBZNIKHNRGNE-UHFFFAOYSA-N 1 0 404.471 -0.143 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000539207811 1069739652 /nfs/dbraw/zinc/73/96/52/1069739652.db2.gz KTXNXOONWJBVIC-INIZCTEOSA-N 1 0 414.470 -0.406 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000539207812 1069739675 /nfs/dbraw/zinc/73/96/75/1069739675.db2.gz KTXNXOONWJBVIC-MRXNPFEDSA-N 1 0 414.470 -0.406 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCn1ncnn1 ZINC000539212413 1069744413 /nfs/dbraw/zinc/74/44/13/1069744413.db2.gz ZOYPTAJKLYSOQO-UHFFFAOYSA-N 1 0 402.459 -0.422 20 0 HBADRO CN(CCN(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000539235076 1069748663 /nfs/dbraw/zinc/74/86/63/1069748663.db2.gz MBULBKISRUQAEQ-UHFFFAOYSA-N 1 0 404.558 -0.020 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000539239312 1069749123 /nfs/dbraw/zinc/74/91/23/1069749123.db2.gz LMZUHNLXZLLOAN-MOPGFXCFSA-N 1 0 407.559 -0.452 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000539239315 1069749189 /nfs/dbraw/zinc/74/91/89/1069749189.db2.gz LMZUHNLXZLLOAN-OALUTQOASA-N 1 0 407.559 -0.452 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000539239318 1069749143 /nfs/dbraw/zinc/74/91/43/1069749143.db2.gz LMZUHNLXZLLOAN-RBUKOAKNSA-N 1 0 407.559 -0.452 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000539239321 1069749336 /nfs/dbraw/zinc/74/93/36/1069749336.db2.gz LMZUHNLXZLLOAN-RTBURBONSA-N 1 0 407.559 -0.452 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000539274178 1069751708 /nfs/dbraw/zinc/75/17/08/1069751708.db2.gz VPBTVCXINGEPET-UHFFFAOYSA-N 1 0 421.502 -0.498 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000539274356 1069751838 /nfs/dbraw/zinc/75/18/38/1069751838.db2.gz MEZVTAZPQNIHKI-UHFFFAOYSA-N 1 0 404.450 -0.118 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000539280964 1069753801 /nfs/dbraw/zinc/75/38/01/1069753801.db2.gz FFDSMIDAAGCZIT-UHFFFAOYSA-N 1 0 404.450 -0.116 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000539282180 1069753858 /nfs/dbraw/zinc/75/38/58/1069753858.db2.gz GTORTHMTDWTQTP-AWEZNQCLSA-N 1 0 407.519 -0.121 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000539282182 1069754041 /nfs/dbraw/zinc/75/40/41/1069754041.db2.gz GTORTHMTDWTQTP-CQSZACIVSA-N 1 0 407.519 -0.121 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C(=O)COC)CC2)CC1 ZINC000539282286 1069754593 /nfs/dbraw/zinc/75/45/93/1069754593.db2.gz ORRHCWKZEAJEPB-UHFFFAOYSA-N 1 0 406.487 -0.204 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000539285137 1069754495 /nfs/dbraw/zinc/75/44/95/1069754495.db2.gz COIPRVKDRGAYTL-UHFFFAOYSA-N 1 0 419.486 -0.744 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCCNS(=O)(=O)CC)CC1 ZINC000539286044 1069754531 /nfs/dbraw/zinc/75/45/31/1069754531.db2.gz IVROUJVEHTZLST-UHFFFAOYSA-N 1 0 414.532 -0.076 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)N3CCC([N@H+](C)CCCO)CC3)cnc2n(C)c1=O ZINC000539305398 1069756763 /nfs/dbraw/zinc/75/67/63/1069756763.db2.gz QQOUYOBTIPMWQM-UHFFFAOYSA-N 1 0 404.471 -0.057 20 0 HBADRO O=S(=O)(CC[NH2+][C@H]1CCCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000539307305 1069756675 /nfs/dbraw/zinc/75/66/75/1069756675.db2.gz SGYLMPVVZXVOKA-HNNXBMFYSA-N 1 0 402.542 -0.300 20 0 HBADRO O=S(=O)(CC[NH2+][C@@H]1CCCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000539307306 1069756751 /nfs/dbraw/zinc/75/67/51/1069756751.db2.gz SGYLMPVVZXVOKA-OAHLLOKOSA-N 1 0 402.542 -0.300 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000539311931 1069756002 /nfs/dbraw/zinc/75/60/02/1069756002.db2.gz PVGOBOYUDMELQB-AWEZNQCLSA-N 1 0 408.503 -0.345 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000539311939 1069755920 /nfs/dbraw/zinc/75/59/20/1069755920.db2.gz PVGOBOYUDMELQB-CQSZACIVSA-N 1 0 408.503 -0.345 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000539355764 1069758497 /nfs/dbraw/zinc/75/84/97/1069758497.db2.gz BQSKXYMMRDUZRV-AWEZNQCLSA-N 1 0 423.539 -0.182 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000539355765 1069758616 /nfs/dbraw/zinc/75/86/16/1069758616.db2.gz BQSKXYMMRDUZRV-CQSZACIVSA-N 1 0 423.539 -0.182 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C(=O)NCC(F)(F)F ZINC000539384941 1069763475 /nfs/dbraw/zinc/76/34/75/1069763475.db2.gz FFCZMNFAZMNPNM-CYBMUJFWSA-N 1 0 400.423 -0.092 20 0 HBADRO Cn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1C(=O)NCC(F)(F)F ZINC000539384942 1069763398 /nfs/dbraw/zinc/76/33/98/1069763398.db2.gz FFCZMNFAZMNPNM-ZDUSSCGKSA-N 1 0 400.423 -0.092 20 0 HBADRO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000539465625 1071270141 /nfs/dbraw/zinc/27/01/41/1071270141.db2.gz FNBIIZGGEHXZRI-APHBMKBZSA-N 1 0 408.503 -0.325 20 0 HBADRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000539465633 1071270182 /nfs/dbraw/zinc/27/01/82/1071270182.db2.gz FNBIIZGGEHXZRI-DAXOMENPSA-N 1 0 408.503 -0.325 20 0 HBADRO CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000539465635 1071270042 /nfs/dbraw/zinc/27/00/42/1071270042.db2.gz FNBIIZGGEHXZRI-UHOFOFEASA-N 1 0 408.503 -0.325 20 0 HBADRO CO[C@@H]1[C@@H](C)[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000539465638 1071270128 /nfs/dbraw/zinc/27/01/28/1071270128.db2.gz FNBIIZGGEHXZRI-VBNZEHGJSA-N 1 0 408.503 -0.325 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)ccn2)CC1 ZINC000539479715 1071271917 /nfs/dbraw/zinc/27/19/17/1071271917.db2.gz PGCNHHNWPLFPEG-INIZCTEOSA-N 1 0 418.498 -0.803 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)ccn2)CC1 ZINC000539479716 1071271735 /nfs/dbraw/zinc/27/17/35/1071271735.db2.gz PGCNHHNWPLFPEG-MRXNPFEDSA-N 1 0 418.498 -0.803 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000539481318 1071271654 /nfs/dbraw/zinc/27/16/54/1071271654.db2.gz GHKOURIWFHLQRX-UHFFFAOYSA-N 1 0 420.514 -0.508 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000539484203 1071270971 /nfs/dbraw/zinc/27/09/71/1071270971.db2.gz ZTKCFYSIHCLDFP-UHFFFAOYSA-N 1 0 420.514 -0.556 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000539487686 1071272584 /nfs/dbraw/zinc/27/25/84/1071272584.db2.gz YCVRGXCOENGYEX-UHFFFAOYSA-N 1 0 420.514 -0.508 20 0 HBADRO Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(=O)n(C)c1=O ZINC000539495050 1071272379 /nfs/dbraw/zinc/27/23/79/1071272379.db2.gz ZTNYDRGFXMEXDY-INIZCTEOSA-N 1 0 422.507 -0.169 20 0 HBADRO Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(=O)n(C)c1=O ZINC000539495056 1071272502 /nfs/dbraw/zinc/27/25/02/1071272502.db2.gz ZTNYDRGFXMEXDY-MRXNPFEDSA-N 1 0 422.507 -0.169 20 0 HBADRO NS(=O)(=O)c1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000539497924 1071275311 /nfs/dbraw/zinc/27/53/11/1071275311.db2.gz LQKGBJGQNJPSNU-UHFFFAOYSA-N 1 0 419.511 -0.149 20 0 HBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000539502163 1071273822 /nfs/dbraw/zinc/27/38/22/1071273822.db2.gz BRDHBHKXCRRUNJ-UHFFFAOYSA-N 1 0 406.512 -0.406 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc2)CC1 ZINC000539514984 1071276544 /nfs/dbraw/zinc/27/65/44/1071276544.db2.gz KWTNPKRWEJEWNC-KRWDZBQOSA-N 1 0 406.512 -0.365 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc2)CC1 ZINC000539514993 1071276678 /nfs/dbraw/zinc/27/66/78/1071276678.db2.gz KWTNPKRWEJEWNC-QGZVFWFLSA-N 1 0 406.512 -0.365 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000539522700 1071278959 /nfs/dbraw/zinc/27/89/59/1071278959.db2.gz OHMSTQYCMHXRSD-INIZCTEOSA-N 1 0 407.496 -0.196 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000539522707 1071279075 /nfs/dbraw/zinc/27/90/75/1071279075.db2.gz OHMSTQYCMHXRSD-MRXNPFEDSA-N 1 0 407.496 -0.196 20 0 HBADRO C[C@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1S(C)(=O)=O ZINC000539554739 1071284519 /nfs/dbraw/zinc/28/45/19/1071284519.db2.gz CXWPNGABCXPKST-AWEZNQCLSA-N 1 0 403.549 -0.396 20 0 HBADRO O=C(CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000539566625 1071284554 /nfs/dbraw/zinc/28/45/54/1071284554.db2.gz PDZALNCUSTWIIY-UHFFFAOYSA-N 1 0 409.531 -0.131 20 0 HBADRO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCN1S(C)(=O)=O ZINC000539576223 1071285922 /nfs/dbraw/zinc/28/59/22/1071285922.db2.gz XVOUZIDIDNTQMV-INIZCTEOSA-N 1 0 405.565 -0.948 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c2)CC1 ZINC000539582492 1071286627 /nfs/dbraw/zinc/28/66/27/1071286627.db2.gz IUPLXHUWUPWNHM-UHFFFAOYSA-N 1 0 403.483 -0.653 20 0 HBADRO COc1cc(C[NH2+]CC(=O)N2CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000539589232 1071289103 /nfs/dbraw/zinc/28/91/03/1071289103.db2.gz ZVJZGZYDUFWFPJ-UHFFFAOYSA-N 1 0 407.467 -0.119 20 0 HBADRO CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000539595647 1071287694 /nfs/dbraw/zinc/28/76/94/1071287694.db2.gz CQSICXPSXMFUJN-GOSISDBHSA-N 1 0 405.499 -0.672 20 0 HBADRO CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000539595648 1071287574 /nfs/dbraw/zinc/28/75/74/1071287574.db2.gz CQSICXPSXMFUJN-SFHVURJKSA-N 1 0 405.499 -0.672 20 0 HBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000539598431 1071288445 /nfs/dbraw/zinc/28/84/45/1071288445.db2.gz JQWMEJQWNBDBEU-UHFFFAOYSA-N 1 0 407.496 -0.055 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC000539633409 1071292672 /nfs/dbraw/zinc/29/26/72/1071292672.db2.gz SRCFVZZOOLFKMR-ARFHVFGLSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC000539633414 1071292572 /nfs/dbraw/zinc/29/25/72/1071292572.db2.gz SRCFVZZOOLFKMR-HRCADAONSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC000539633415 1071292715 /nfs/dbraw/zinc/29/27/15/1071292715.db2.gz SRCFVZZOOLFKMR-JYJNAYRXSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1=O ZINC000539633417 1071292587 /nfs/dbraw/zinc/29/25/87/1071292587.db2.gz SRCFVZZOOLFKMR-XHSDSOJGSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[NH+]1CCN(CC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000539695910 1071298521 /nfs/dbraw/zinc/29/85/21/1071298521.db2.gz GJNMIQMSCDZJQM-UHFFFAOYSA-N 1 0 424.523 -0.416 20 0 HBADRO CCN(CC)C(=O)CN1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000539722869 1071300726 /nfs/dbraw/zinc/30/07/26/1071300726.db2.gz YFNTZYUWFHEWOE-UHFFFAOYSA-N 1 0 419.530 -0.690 20 0 HBADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539752135 1071303111 /nfs/dbraw/zinc/30/31/11/1071303111.db2.gz ARXVTMOKKOMACI-UHFFFAOYSA-N 1 0 405.451 -0.169 20 0 HBADRO Cn1cc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(=O)n(C)c1=O ZINC000539821545 1071306301 /nfs/dbraw/zinc/30/63/01/1071306301.db2.gz POULFVZJJBIRAJ-UHFFFAOYSA-N 1 0 401.471 -0.967 20 0 HBADRO COc1ccc(C(=O)NCCN2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000539832074 1071307083 /nfs/dbraw/zinc/30/70/83/1071307083.db2.gz MCKPUJGLTFYPBA-UHFFFAOYSA-N 1 0 415.494 -0.360 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000539859835 1071308707 /nfs/dbraw/zinc/30/87/07/1071308707.db2.gz JIBAREFIRPWOKU-CVEARBPZSA-N 1 0 422.507 -0.755 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000539859855 1071308485 /nfs/dbraw/zinc/30/84/85/1071308485.db2.gz JIBAREFIRPWOKU-HOTGVXAUSA-N 1 0 422.507 -0.755 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000539859858 1071308656 /nfs/dbraw/zinc/30/86/56/1071308656.db2.gz JIBAREFIRPWOKU-HZPDHXFCSA-N 1 0 422.507 -0.755 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(=O)n(C)c1=O ZINC000539859860 1071308579 /nfs/dbraw/zinc/30/85/79/1071308579.db2.gz JIBAREFIRPWOKU-JKSUJKDBSA-N 1 0 422.507 -0.755 20 0 HBADRO CC[NH+]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC1 ZINC000539970640 1071317044 /nfs/dbraw/zinc/31/70/44/1071317044.db2.gz HGUXKOHVRJSIQD-UHFFFAOYSA-N 1 0 412.512 -0.011 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000539974509 1071317250 /nfs/dbraw/zinc/31/72/50/1071317250.db2.gz SUHQNNMGTQIEOM-HNNXBMFYSA-N 1 0 420.576 -0.628 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000539974512 1071317093 /nfs/dbraw/zinc/31/70/93/1071317093.db2.gz SUHQNNMGTQIEOM-OAHLLOKOSA-N 1 0 420.576 -0.628 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)c1=O ZINC000540031886 1071320969 /nfs/dbraw/zinc/32/09/69/1071320969.db2.gz BEZWPRGAFIGTDF-KRWDZBQOSA-N 1 0 416.482 -0.137 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)c1=O ZINC000540031887 1071320834 /nfs/dbraw/zinc/32/08/34/1071320834.db2.gz BEZWPRGAFIGTDF-QGZVFWFLSA-N 1 0 416.482 -0.137 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2)c1=O ZINC000540032906 1071320023 /nfs/dbraw/zinc/32/00/23/1071320023.db2.gz HYZMUOMBFPKQGZ-HNNXBMFYSA-N 1 0 414.466 -0.310 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2)c1=O ZINC000540032914 1071320324 /nfs/dbraw/zinc/32/03/24/1071320324.db2.gz HYZMUOMBFPKQGZ-OAHLLOKOSA-N 1 0 414.466 -0.310 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C[NH+]1CCN(C)CC1 ZINC000540034264 1071321770 /nfs/dbraw/zinc/32/17/70/1071321770.db2.gz OAODNMHMXQTJQY-HNNXBMFYSA-N 1 0 415.498 -0.491 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C[NH+]1CCN(C)CC1 ZINC000540034267 1071321654 /nfs/dbraw/zinc/32/16/54/1071321654.db2.gz OAODNMHMXQTJQY-OAHLLOKOSA-N 1 0 415.498 -0.491 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)cc2)c1=O ZINC000540035071 1071321568 /nfs/dbraw/zinc/32/15/68/1071321568.db2.gz YCOCSCYKNIORBC-UHFFFAOYSA-N 1 0 415.498 -0.348 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000540035778 1071321796 /nfs/dbraw/zinc/32/17/96/1071321796.db2.gz VWDAMBLJBHORQZ-UHFFFAOYSA-N 1 0 402.455 -0.264 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000540036258 1071321716 /nfs/dbraw/zinc/32/17/16/1071321716.db2.gz LUJMDVLUOVTJQW-UHFFFAOYSA-N 1 0 416.482 -0.139 20 0 HBADRO O=C(CN1CCN(c2ccccn2)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540036639 1071321745 /nfs/dbraw/zinc/32/17/45/1071321745.db2.gz DNVCCEKHWGTWDQ-UHFFFAOYSA-N 1 0 403.527 -0.111 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)o1 ZINC000540037345 1071322273 /nfs/dbraw/zinc/32/22/73/1071322273.db2.gz AJTFWCSRGFUFFJ-UHFFFAOYSA-N 1 0 401.485 -0.205 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060867 1071323904 /nfs/dbraw/zinc/32/39/04/1071323904.db2.gz IPKRCJFCTZJUEY-HOTGVXAUSA-N 1 0 402.542 -0.588 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060870 1071323793 /nfs/dbraw/zinc/32/37/93/1071323793.db2.gz IPKRCJFCTZJUEY-HZPDHXFCSA-N 1 0 402.542 -0.588 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063667 1071324625 /nfs/dbraw/zinc/32/46/25/1071324625.db2.gz YBDSROALSFSCNE-HOTGVXAUSA-N 1 0 402.542 -0.588 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000540063668 1071324479 /nfs/dbraw/zinc/32/44/79/1071324479.db2.gz YBDSROALSFSCNE-HZPDHXFCSA-N 1 0 402.542 -0.588 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000540063778 1071324427 /nfs/dbraw/zinc/32/44/27/1071324427.db2.gz FBLXKOVNSXNOOZ-UHFFFAOYSA-N 1 0 403.531 -0.049 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)C[C@H](C)O1 ZINC000540077092 1069687914 /nfs/dbraw/zinc/68/79/14/1069687914.db2.gz AOGQEECUUMGGTE-KBPBESRZSA-N 1 0 422.515 -0.280 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)C[C@H](C)O1 ZINC000540077099 1071325472 /nfs/dbraw/zinc/32/54/72/1071325472.db2.gz AOGQEECUUMGGTE-OKILXGFUSA-N 1 0 422.515 -0.280 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)C[C@@H](C)O1 ZINC000540077100 1069683639 /nfs/dbraw/zinc/68/36/39/1069683639.db2.gz AOGQEECUUMGGTE-ZIAGYGMSSA-N 1 0 422.515 -0.280 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1[NH+](C)C ZINC000540125106 1071328032 /nfs/dbraw/zinc/32/80/32/1071328032.db2.gz VRKSVVWGBSZJOG-GXTWGEPZSA-N 1 0 414.509 -0.254 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@@H]1[NH+](C)C ZINC000540125111 1071328411 /nfs/dbraw/zinc/32/84/11/1071328411.db2.gz VRKSVVWGBSZJOG-JSGCOSHPSA-N 1 0 414.509 -0.254 20 0 HBADRO CS[C@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@H]1[NH+](C)C ZINC000540125113 1071328471 /nfs/dbraw/zinc/32/84/71/1071328471.db2.gz VRKSVVWGBSZJOG-OCCSQVGLSA-N 1 0 414.509 -0.254 20 0 HBADRO CS[C@@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@H]1[NH+](C)C ZINC000540125115 1071327953 /nfs/dbraw/zinc/32/79/53/1071327953.db2.gz VRKSVVWGBSZJOG-TZMCWYRMSA-N 1 0 414.509 -0.254 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c[nH]1 ZINC000540133234 1071329095 /nfs/dbraw/zinc/32/90/95/1071329095.db2.gz CLUCIEBVGPESJS-UHFFFAOYSA-N 1 0 420.495 -0.180 20 0 HBADRO O=C1C[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CN1CCN1CCOCC1 ZINC000540184103 1071331265 /nfs/dbraw/zinc/33/12/65/1071331265.db2.gz MGBFUGXHMIZFJO-FQEVSTJZSA-N 1 0 409.575 -0.694 20 0 HBADRO O=C1C[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CN1CCN1CCOCC1 ZINC000540184105 1071331461 /nfs/dbraw/zinc/33/14/61/1071331461.db2.gz MGBFUGXHMIZFJO-HXUWFJFHSA-N 1 0 409.575 -0.694 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1=O ZINC000540225588 1071331929 /nfs/dbraw/zinc/33/19/29/1071331929.db2.gz JBWUKGQLDSNTJE-AWEZNQCLSA-N 1 0 412.512 -0.037 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1=O ZINC000540225590 1071331852 /nfs/dbraw/zinc/33/18/52/1071331852.db2.gz JBWUKGQLDSNTJE-CQSZACIVSA-N 1 0 412.512 -0.037 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1C ZINC000540262892 1071333963 /nfs/dbraw/zinc/33/39/63/1071333963.db2.gz PSEQYMYJQGNKDO-UHFFFAOYSA-N 1 0 419.482 -0.093 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 ZINC000540264648 1071334544 /nfs/dbraw/zinc/33/45/44/1071334544.db2.gz JNELNMNBNQKOBK-UHFFFAOYSA-N 1 0 402.473 -0.300 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000540265697 1071334726 /nfs/dbraw/zinc/33/47/26/1071334726.db2.gz YAIZVECINYMQAK-GDBMZVCRSA-N 1 0 402.451 -0.333 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000540265700 1071334673 /nfs/dbraw/zinc/33/46/73/1071334673.db2.gz YAIZVECINYMQAK-GOEBONIOSA-N 1 0 402.451 -0.333 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000540265701 1071334779 /nfs/dbraw/zinc/33/47/79/1071334779.db2.gz YAIZVECINYMQAK-HOCLYGCPSA-N 1 0 402.451 -0.333 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000540265702 1071334881 /nfs/dbraw/zinc/33/48/81/1071334881.db2.gz YAIZVECINYMQAK-ZBFHGGJFSA-N 1 0 402.451 -0.333 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)C1 ZINC000540269602 1071337445 /nfs/dbraw/zinc/33/74/45/1071337445.db2.gz SQCZHHKLEONJIV-CYBMUJFWSA-N 1 0 414.484 -0.158 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)C1 ZINC000540269603 1071338233 /nfs/dbraw/zinc/33/82/33/1071338233.db2.gz SQCZHHKLEONJIV-ZDUSSCGKSA-N 1 0 414.484 -0.158 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000540269929 1071337229 /nfs/dbraw/zinc/33/72/29/1071337229.db2.gz VRSMTSGLORSOSG-AWEZNQCLSA-N 1 0 407.471 -0.191 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000540269931 1071337346 /nfs/dbraw/zinc/33/73/46/1071337346.db2.gz VRSMTSGLORSOSG-CQSZACIVSA-N 1 0 407.471 -0.191 20 0 HBADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000540288390 1071340909 /nfs/dbraw/zinc/34/09/09/1071340909.db2.gz RUGRWDRZUJTJDN-UHFFFAOYSA-N 1 0 402.455 -0.440 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000540291054 1071341450 /nfs/dbraw/zinc/34/14/50/1071341450.db2.gz LHCYFCJXKJMOCT-UHFFFAOYSA-N 1 0 405.499 -0.026 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000540291697 1071341500 /nfs/dbraw/zinc/34/15/00/1071341500.db2.gz LJLFJIPUFOPAJK-UHFFFAOYSA-N 1 0 405.499 -0.026 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c(C)c2)CC1 ZINC000540293262 1071341796 /nfs/dbraw/zinc/34/17/96/1071341796.db2.gz PGHHXZWQUOHMKW-UHFFFAOYSA-N 1 0 404.471 -0.223 20 0 HBADRO CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000540299616 1071339763 /nfs/dbraw/zinc/33/97/63/1071339763.db2.gz OAGOGJHGAMPCOY-UHFFFAOYSA-N 1 0 417.510 -0.154 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000540304582 1071342168 /nfs/dbraw/zinc/34/21/68/1071342168.db2.gz PAWVHKRIBSOQOE-HNNXBMFYSA-N 1 0 419.482 -0.095 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000540304583 1071342391 /nfs/dbraw/zinc/34/23/91/1071342391.db2.gz PAWVHKRIBSOQOE-OAHLLOKOSA-N 1 0 419.482 -0.095 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000540304595 1071342309 /nfs/dbraw/zinc/34/23/09/1071342309.db2.gz PECFLZKMFBYZCP-AWEZNQCLSA-N 1 0 405.455 -0.485 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1C ZINC000540304596 1071342202 /nfs/dbraw/zinc/34/22/02/1071342202.db2.gz PECFLZKMFBYZCP-CQSZACIVSA-N 1 0 405.455 -0.485 20 0 HBADRO CN(CCN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C1CC[NH+](C)CC1 ZINC000540333426 1071343815 /nfs/dbraw/zinc/34/38/15/1071343815.db2.gz NSDPDQWMUMRPES-UHFFFAOYSA-N 1 0 424.527 -0.319 20 0 HBADRO CN(CCN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000540334432 1071344283 /nfs/dbraw/zinc/34/42/83/1071344283.db2.gz KDTWUQKZLZXAQF-UHFFFAOYSA-N 1 0 404.558 -0.020 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CC1 ZINC000540336578 1071344382 /nfs/dbraw/zinc/34/43/82/1071344382.db2.gz OMERUGIQDSBFOZ-UHFFFAOYSA-N 1 0 413.544 -0.098 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000540342916 1071345856 /nfs/dbraw/zinc/34/58/56/1071345856.db2.gz LBFDLJFADYOZSY-FQEVSTJZSA-N 1 0 417.554 -0.118 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000540342917 1071345956 /nfs/dbraw/zinc/34/59/56/1071345956.db2.gz LBFDLJFADYOZSY-HXUWFJFHSA-N 1 0 417.554 -0.118 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)CC1 ZINC000540365916 1071348538 /nfs/dbraw/zinc/34/85/38/1071348538.db2.gz KYWUPVPENWKZID-UHFFFAOYSA-N 1 0 406.487 -0.206 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000540371767 1071347318 /nfs/dbraw/zinc/34/73/18/1071347318.db2.gz BXMLQRSTUBXDHB-CYBMUJFWSA-N 1 0 412.516 -0.372 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000540371770 1071347120 /nfs/dbraw/zinc/34/71/20/1071347120.db2.gz BXMLQRSTUBXDHB-ZDUSSCGKSA-N 1 0 412.516 -0.372 20 0 HBADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000540372396 1071347235 /nfs/dbraw/zinc/34/72/35/1071347235.db2.gz QVERWYDFBPLIKT-CYBMUJFWSA-N 1 0 403.418 -0.079 20 0 HBADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000540372397 1071346993 /nfs/dbraw/zinc/34/69/93/1071346993.db2.gz QVERWYDFBPLIKT-ZDUSSCGKSA-N 1 0 403.418 -0.079 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C[NH+]1CCN(C)CC1 ZINC000540373202 1071347158 /nfs/dbraw/zinc/34/71/58/1071347158.db2.gz PPBYBEXSCLSMTA-CYBMUJFWSA-N 1 0 404.450 -0.260 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C[NH+]1CCN(C)CC1 ZINC000540373209 1071347009 /nfs/dbraw/zinc/34/70/09/1071347009.db2.gz PPBYBEXSCLSMTA-ZDUSSCGKSA-N 1 0 404.450 -0.260 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540373532 1071347969 /nfs/dbraw/zinc/34/79/69/1071347969.db2.gz YFKSHNDUTCBILX-AWEZNQCLSA-N 1 0 405.434 -0.051 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540373535 1071348047 /nfs/dbraw/zinc/34/80/47/1071348047.db2.gz YFKSHNDUTCBILX-CQSZACIVSA-N 1 0 405.434 -0.051 20 0 HBADRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1OCCO ZINC000540374359 1071347946 /nfs/dbraw/zinc/34/79/46/1071347946.db2.gz GGQFRYKMNJPUKP-INIZCTEOSA-N 1 0 422.526 -0.051 20 0 HBADRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1OCCO ZINC000540374360 1071347778 /nfs/dbraw/zinc/34/77/78/1071347778.db2.gz GGQFRYKMNJPUKP-MRXNPFEDSA-N 1 0 422.526 -0.051 20 0 HBADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000540378951 1071352332 /nfs/dbraw/zinc/35/23/32/1071352332.db2.gz TYKCTGCWCWLLLW-UHFFFAOYSA-N 1 0 416.461 -0.020 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540383349 1071349107 /nfs/dbraw/zinc/34/91/07/1071349107.db2.gz LXZWGFOCUIKIEH-CYBMUJFWSA-N 1 0 404.450 -0.118 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540383353 1071349184 /nfs/dbraw/zinc/34/91/84/1071349184.db2.gz LXZWGFOCUIKIEH-ZDUSSCGKSA-N 1 0 404.450 -0.118 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)CC1 ZINC000540384641 1071349867 /nfs/dbraw/zinc/34/98/67/1071349867.db2.gz BNEJUQWOMZTQKL-UHFFFAOYSA-N 1 0 406.487 -0.204 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1 ZINC000540385605 1071349673 /nfs/dbraw/zinc/34/96/73/1071349673.db2.gz QNOGGFRAGYPODJ-UHFFFAOYSA-N 1 0 419.530 -0.241 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000540387768 1071350194 /nfs/dbraw/zinc/35/01/94/1071350194.db2.gz HBMPAMZIXVOUPK-CYBMUJFWSA-N 1 0 421.502 -0.451 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000540387772 1071350258 /nfs/dbraw/zinc/35/02/58/1071350258.db2.gz HBMPAMZIXVOUPK-ZDUSSCGKSA-N 1 0 421.502 -0.451 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)c1 ZINC000540403964 1071353494 /nfs/dbraw/zinc/35/34/94/1071353494.db2.gz WVZXAZZPQUOSSJ-GFCCVEGCSA-N 1 0 401.514 -0.043 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)c1 ZINC000540403965 1071353732 /nfs/dbraw/zinc/35/37/32/1071353732.db2.gz WVZXAZZPQUOSSJ-LBPRGKRZSA-N 1 0 401.514 -0.043 20 0 HBADRO COC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000540412483 1071353688 /nfs/dbraw/zinc/35/36/88/1071353688.db2.gz PEOLYUVOPFEGJA-IBGZPJMESA-N 1 0 404.511 -0.033 20 0 HBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000540412484 1071353748 /nfs/dbraw/zinc/35/37/48/1071353748.db2.gz PEOLYUVOPFEGJA-LJQANCHMSA-N 1 0 404.511 -0.033 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000540452466 1071356875 /nfs/dbraw/zinc/35/68/75/1071356875.db2.gz NKXRXDKBGFLPLZ-UHFFFAOYSA-N 1 0 423.539 -0.181 20 0 HBADRO Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(C)c1=O ZINC000540513261 1071362596 /nfs/dbraw/zinc/36/25/96/1071362596.db2.gz CVDJLMICSNRLMM-UHFFFAOYSA-N 1 0 408.480 -0.605 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(CC(N)=O)CC3)CC2)cc1 ZINC000540551445 1071367428 /nfs/dbraw/zinc/36/74/28/1071367428.db2.gz KNJJZWGZCZEQPY-UHFFFAOYSA-N 1 0 403.527 -0.168 20 0 HBADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1 ZINC000540552650 1071368584 /nfs/dbraw/zinc/36/85/84/1071368584.db2.gz WUAHWMZZXPEPFK-IBGZPJMESA-N 1 0 413.522 -0.328 20 0 HBADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000540552651 1071368735 /nfs/dbraw/zinc/36/87/35/1071368735.db2.gz WUAHWMZZXPEPFK-LJQANCHMSA-N 1 0 413.522 -0.328 20 0 HBADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000540574637 1071369681 /nfs/dbraw/zinc/36/96/81/1071369681.db2.gz KJJPJXQAHDVVQS-DYESRHJHSA-N 1 0 424.542 -0.299 20 0 HBADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000540574638 1071369753 /nfs/dbraw/zinc/36/97/53/1071369753.db2.gz KJJPJXQAHDVVQS-LAUBAEHRSA-N 1 0 424.542 -0.299 20 0 HBADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000540574639 1071369567 /nfs/dbraw/zinc/36/95/67/1071369567.db2.gz KJJPJXQAHDVVQS-UTKZUKDTSA-N 1 0 424.542 -0.299 20 0 HBADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000540574640 1071369693 /nfs/dbraw/zinc/36/96/93/1071369693.db2.gz KJJPJXQAHDVVQS-UWJYYQICSA-N 1 0 424.542 -0.299 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000540577435 1071370275 /nfs/dbraw/zinc/37/02/75/1071370275.db2.gz MNSWSIJROZKGGL-PBHICJAKSA-N 1 0 402.499 -0.184 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C[C@H]1[NH+](C)C ZINC000540577438 1071370295 /nfs/dbraw/zinc/37/02/95/1071370295.db2.gz MNSWSIJROZKGGL-RHSMWYFYSA-N 1 0 402.499 -0.184 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C[C@H]1[NH+](C)C ZINC000540577439 1071370158 /nfs/dbraw/zinc/37/01/58/1071370158.db2.gz MNSWSIJROZKGGL-WMLDXEAASA-N 1 0 402.499 -0.184 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000540577441 1071370350 /nfs/dbraw/zinc/37/03/50/1071370350.db2.gz MNSWSIJROZKGGL-YOEHRIQHSA-N 1 0 402.499 -0.184 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000540579497 1071370217 /nfs/dbraw/zinc/37/02/17/1071370217.db2.gz QTRXTVFXYDEJPN-INIZCTEOSA-N 1 0 400.483 -0.286 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000540579499 1071370091 /nfs/dbraw/zinc/37/00/91/1071370091.db2.gz QTRXTVFXYDEJPN-MRXNPFEDSA-N 1 0 400.483 -0.286 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1)Cc1ccccc1 ZINC000540596541 1071370816 /nfs/dbraw/zinc/37/08/16/1071370816.db2.gz PRUIYLHLTZHFDA-UHFFFAOYSA-N 1 0 420.539 -0.193 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000540600503 1071371503 /nfs/dbraw/zinc/37/15/03/1071371503.db2.gz ISOVUHNGJYWCIJ-UHFFFAOYSA-N 1 0 420.539 -0.016 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000540603511 1071372176 /nfs/dbraw/zinc/37/21/76/1071372176.db2.gz ZUNVLZQMMDDVQD-LLVKDONJSA-N 1 0 409.468 -0.891 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000540603516 1071372136 /nfs/dbraw/zinc/37/21/36/1071372136.db2.gz ZUNVLZQMMDDVQD-NSHDSACASA-N 1 0 409.468 -0.891 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000540612451 1071372903 /nfs/dbraw/zinc/37/29/03/1071372903.db2.gz LYPRXVXRFLVKTQ-INIZCTEOSA-N 1 0 412.512 -0.631 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000540612455 1071372818 /nfs/dbraw/zinc/37/28/18/1071372818.db2.gz LYPRXVXRFLVKTQ-MRXNPFEDSA-N 1 0 412.512 -0.631 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540613962 1071373286 /nfs/dbraw/zinc/37/32/86/1071373286.db2.gz SWKRQGFDWCNIRL-UHFFFAOYSA-N 1 0 408.484 -0.862 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000540619944 1071374405 /nfs/dbraw/zinc/37/44/05/1071374405.db2.gz SZDKEPCGDWTLDB-KRWDZBQOSA-N 1 0 419.507 -0.252 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000540625986 1071374945 /nfs/dbraw/zinc/37/49/45/1071374945.db2.gz GXJKHFXOUXQENR-UHFFFAOYSA-N 1 0 422.511 -0.205 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000540627459 1071374854 /nfs/dbraw/zinc/37/48/54/1071374854.db2.gz WIELZSCRECQMIH-UHFFFAOYSA-N 1 0 414.532 -0.727 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C[NH+]1CCN(C)CC1 ZINC000540629939 1071376204 /nfs/dbraw/zinc/37/62/04/1071376204.db2.gz UHDASQIPZLBWHR-INIZCTEOSA-N 1 0 412.556 -0.087 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C[NH+]1CCN(C)CC1 ZINC000540629940 1071376338 /nfs/dbraw/zinc/37/63/38/1071376338.db2.gz UHDASQIPZLBWHR-MRXNPFEDSA-N 1 0 412.556 -0.087 20 0 HBADRO C[C@H]1CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000540633804 1071376422 /nfs/dbraw/zinc/37/64/22/1071376422.db2.gz COTHSPBQDOPUGF-AWEZNQCLSA-N 1 0 400.505 -0.287 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(=O)N1CCOCC1 ZINC000540666256 1071378916 /nfs/dbraw/zinc/37/89/16/1071378916.db2.gz ARZBGNRFLQDXLA-KRWDZBQOSA-N 1 0 405.499 -0.567 20 0 HBADRO C[C@@H](CCN1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000540676897 1071381506 /nfs/dbraw/zinc/38/15/06/1071381506.db2.gz OEQYJKGRUKVDPO-JYJNAYRXSA-N 1 0 410.606 -0.304 20 0 HBADRO C[C@H](CCN1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000540676898 1071381274 /nfs/dbraw/zinc/38/12/74/1071381274.db2.gz OEQYJKGRUKVDPO-PMPSAXMXSA-N 1 0 410.606 -0.304 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000540739843 1071384855 /nfs/dbraw/zinc/38/48/55/1071384855.db2.gz RGKWPDISMVBUDP-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000540798619 1071388364 /nfs/dbraw/zinc/38/83/64/1071388364.db2.gz GQIXFDGDUDIHBZ-HNNXBMFYSA-N 1 0 402.561 -0.037 20 0 HBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000540798620 1071388458 /nfs/dbraw/zinc/38/84/58/1071388458.db2.gz GQIXFDGDUDIHBZ-OAHLLOKOSA-N 1 0 402.561 -0.037 20 0 HBADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000540818579 1071390578 /nfs/dbraw/zinc/39/05/78/1071390578.db2.gz OAVSSCKKWJPZIU-GFCCVEGCSA-N 1 0 420.495 -0.226 20 0 HBADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000540818583 1071390638 /nfs/dbraw/zinc/39/06/38/1071390638.db2.gz OAVSSCKKWJPZIU-LBPRGKRZSA-N 1 0 420.495 -0.226 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000540822827 1071392077 /nfs/dbraw/zinc/39/20/77/1071392077.db2.gz PBNINOVHFTYLQX-CYBMUJFWSA-N 1 0 412.516 -0.773 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000540822829 1071392004 /nfs/dbraw/zinc/39/20/04/1071392004.db2.gz PBNINOVHFTYLQX-ZDUSSCGKSA-N 1 0 412.516 -0.773 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1)N1CCOCC1 ZINC000540827507 1071392032 /nfs/dbraw/zinc/39/20/32/1071392032.db2.gz JUWZTELHZVWBKA-IBGZPJMESA-N 1 0 408.543 -0.120 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1)N1CCOCC1 ZINC000540827509 1071392060 /nfs/dbraw/zinc/39/20/60/1071392060.db2.gz JUWZTELHZVWBKA-LJQANCHMSA-N 1 0 408.543 -0.120 20 0 HBADRO CN(CCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1cc[nH+]cc1 ZINC000540928502 1071400884 /nfs/dbraw/zinc/40/08/84/1071400884.db2.gz JIGNKKGSWGRJNN-INIZCTEOSA-N 1 0 423.539 -0.645 20 0 HBADRO CN(CCC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1cc[nH+]cc1 ZINC000540928507 1071400590 /nfs/dbraw/zinc/40/05/90/1071400590.db2.gz JIGNKKGSWGRJNN-MRXNPFEDSA-N 1 0 423.539 -0.645 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000541014453 1071421574 /nfs/dbraw/zinc/42/15/74/1071421574.db2.gz JBGKVRPFJDOAOS-AAEUAGOBSA-N 1 0 416.500 -0.784 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000541014457 1071421714 /nfs/dbraw/zinc/42/17/14/1071421714.db2.gz JBGKVRPFJDOAOS-DGCLKSJQSA-N 1 0 416.500 -0.784 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000541014459 1071421536 /nfs/dbraw/zinc/42/15/36/1071421536.db2.gz JBGKVRPFJDOAOS-WCQYABFASA-N 1 0 416.500 -0.784 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C)cc1OC ZINC000541014462 1071421669 /nfs/dbraw/zinc/42/16/69/1071421669.db2.gz JBGKVRPFJDOAOS-YPMHNXCESA-N 1 0 416.500 -0.784 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)S(N)(=O)=O ZINC000541018951 1071422306 /nfs/dbraw/zinc/42/23/06/1071422306.db2.gz NRPONJQTPUGNHY-AWEZNQCLSA-N 1 0 404.533 -0.822 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)S(N)(=O)=O ZINC000541018959 1071422481 /nfs/dbraw/zinc/42/24/81/1071422481.db2.gz NRPONJQTPUGNHY-CQSZACIVSA-N 1 0 404.533 -0.822 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000541021525 1071419425 /nfs/dbraw/zinc/41/94/25/1071419425.db2.gz UPFFOHKUAGHDTG-AWEZNQCLSA-N 1 0 411.528 -0.060 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000541021526 1071420040 /nfs/dbraw/zinc/42/00/40/1071420040.db2.gz UPFFOHKUAGHDTG-CQSZACIVSA-N 1 0 411.528 -0.060 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)S(N)(=O)=O ZINC000541029514 1071420908 /nfs/dbraw/zinc/42/09/08/1071420908.db2.gz IFCLYUXRAWQLCD-AWEZNQCLSA-N 1 0 418.560 -0.291 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)S(N)(=O)=O ZINC000541029517 1071420891 /nfs/dbraw/zinc/42/08/91/1071420891.db2.gz IFCLYUXRAWQLCD-CQSZACIVSA-N 1 0 418.560 -0.291 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)S(N)(=O)=O ZINC000541030296 1071426159 /nfs/dbraw/zinc/42/61/59/1071426159.db2.gz NKBIIMAYLXSMFZ-LLVKDONJSA-N 1 0 406.455 -0.352 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)S(N)(=O)=O ZINC000541030297 1071426768 /nfs/dbraw/zinc/42/67/68/1071426768.db2.gz NKBIIMAYLXSMFZ-NSHDSACASA-N 1 0 406.455 -0.352 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1C ZINC000541052748 1071429434 /nfs/dbraw/zinc/42/94/34/1071429434.db2.gz IEZXTBOZCGOUPC-KRWDZBQOSA-N 1 0 421.523 -0.110 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1C ZINC000541052749 1071429388 /nfs/dbraw/zinc/42/93/88/1071429388.db2.gz IEZXTBOZCGOUPC-QGZVFWFLSA-N 1 0 421.523 -0.110 20 0 HBADRO CCc1ccc([C@H](CO)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000541052782 1071429327 /nfs/dbraw/zinc/42/93/27/1071429327.db2.gz JSFRYICBEXLEBW-FQEVSTJZSA-N 1 0 418.538 -0.125 20 0 HBADRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000541052783 1071429423 /nfs/dbraw/zinc/42/94/23/1071429423.db2.gz JSFRYICBEXLEBW-HXUWFJFHSA-N 1 0 418.538 -0.125 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)n1 ZINC000541132245 1069557658 /nfs/dbraw/zinc/55/76/58/1069557658.db2.gz AJPSAMAKIMARPL-UHFFFAOYSA-N 1 0 423.424 -0.169 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CCCO)CC2)cn1 ZINC000541134524 1071432336 /nfs/dbraw/zinc/43/23/36/1071432336.db2.gz RDBWFWQHHOIMAH-UHFFFAOYSA-N 1 0 408.503 -0.490 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)c3OC)C2)CC1 ZINC000541137369 1071432374 /nfs/dbraw/zinc/43/23/74/1071432374.db2.gz ODOBPWOTRSEHAC-AWEZNQCLSA-N 1 0 403.483 -0.029 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)c3OC)C2)CC1 ZINC000541137380 1071432404 /nfs/dbraw/zinc/43/24/04/1071432404.db2.gz ODOBPWOTRSEHAC-CQSZACIVSA-N 1 0 403.483 -0.029 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 ZINC000541139402 1071433115 /nfs/dbraw/zinc/43/31/15/1071433115.db2.gz VCGJGQFMGUVGEQ-UHFFFAOYSA-N 1 0 419.482 -0.255 20 0 HBADRO COc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1C(N)=O ZINC000541139739 1071433089 /nfs/dbraw/zinc/43/30/89/1071433089.db2.gz XACCKQPMQORUBY-HNNXBMFYSA-N 1 0 419.482 -0.209 20 0 HBADRO COc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1C(N)=O ZINC000541139740 1071433180 /nfs/dbraw/zinc/43/31/80/1071433180.db2.gz XACCKQPMQORUBY-OAHLLOKOSA-N 1 0 419.482 -0.209 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000541149789 1069541847 /nfs/dbraw/zinc/54/18/47/1069541847.db2.gz OHYWLHRLFCRKHI-HNNXBMFYSA-N 1 0 401.471 -0.406 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000541149792 1069541853 /nfs/dbraw/zinc/54/18/53/1069541853.db2.gz OHYWLHRLFCRKHI-OAHLLOKOSA-N 1 0 401.471 -0.406 20 0 HBADRO CC[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[N@@H+]1CCc2ccccc2C1 ZINC000541152226 1071433897 /nfs/dbraw/zinc/43/38/97/1071433897.db2.gz UPJIQJTUXSBEJY-INIZCTEOSA-N 1 0 413.482 -0.084 20 0 HBADRO CC[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[N@@H+]1CCc2ccccc2C1 ZINC000541152227 1071433755 /nfs/dbraw/zinc/43/37/55/1071433755.db2.gz UPJIQJTUXSBEJY-MRXNPFEDSA-N 1 0 413.482 -0.084 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000541154692 1071433942 /nfs/dbraw/zinc/43/39/42/1071433942.db2.gz KIPHZYGQBWYOOK-UHFFFAOYSA-N 1 0 423.543 -0.217 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000541163043 1071435346 /nfs/dbraw/zinc/43/53/46/1071435346.db2.gz IVSFJHZTDOCRJB-KRWDZBQOSA-N 1 0 421.523 -0.029 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000541163044 1071435299 /nfs/dbraw/zinc/43/52/99/1071435299.db2.gz IVSFJHZTDOCRJB-QGZVFWFLSA-N 1 0 421.523 -0.029 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C(=O)C1=O ZINC000541169447 1071436015 /nfs/dbraw/zinc/43/60/15/1071436015.db2.gz GSHRQAJXSMVMPI-GOSISDBHSA-N 1 0 402.495 -0.050 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C(=O)C1=O ZINC000541169448 1071436176 /nfs/dbraw/zinc/43/61/76/1071436176.db2.gz GSHRQAJXSMVMPI-SFHVURJKSA-N 1 0 402.495 -0.050 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000541175747 1069558706 /nfs/dbraw/zinc/55/87/06/1069558706.db2.gz CDHFAEQCKYHVDU-UHFFFAOYSA-N 1 0 423.543 -0.170 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000541186397 1071437375 /nfs/dbraw/zinc/43/73/75/1071437375.db2.gz ZXZIHGTZGLNVHE-CVEARBPZSA-N 1 0 419.530 -0.202 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000541186398 1071437440 /nfs/dbraw/zinc/43/74/40/1071437440.db2.gz ZXZIHGTZGLNVHE-HOTGVXAUSA-N 1 0 419.530 -0.202 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000541186399 1071437342 /nfs/dbraw/zinc/43/73/42/1071437342.db2.gz ZXZIHGTZGLNVHE-HZPDHXFCSA-N 1 0 419.530 -0.202 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000541186400 1071437450 /nfs/dbraw/zinc/43/74/50/1071437450.db2.gz ZXZIHGTZGLNVHE-JKSUJKDBSA-N 1 0 419.530 -0.202 20 0 HBADRO CC[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(S(N)(=O)=O)c1 ZINC000541205658 1071438949 /nfs/dbraw/zinc/43/89/49/1071438949.db2.gz LIHKTOBWVNHWHE-HNNXBMFYSA-N 1 0 420.557 -0.228 20 0 HBADRO CC[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(S(N)(=O)=O)c1 ZINC000541205659 1071439090 /nfs/dbraw/zinc/43/90/90/1071439090.db2.gz LIHKTOBWVNHWHE-OAHLLOKOSA-N 1 0 420.557 -0.228 20 0 HBADRO COC(=O)CN1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000541239255 1071439691 /nfs/dbraw/zinc/43/96/91/1071439691.db2.gz AZGHMLOUWJGZKE-UHFFFAOYSA-N 1 0 404.533 -0.745 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000541371074 1069627496 /nfs/dbraw/zinc/62/74/96/1069627496.db2.gz UUSAGLOIYJSINY-UHFFFAOYSA-N 1 0 406.487 -0.225 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC000541435165 1071452762 /nfs/dbraw/zinc/45/27/62/1071452762.db2.gz BUGXVUGRGPCRQH-HNNXBMFYSA-N 1 0 403.483 -0.027 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC000541435168 1071452701 /nfs/dbraw/zinc/45/27/01/1071452701.db2.gz BUGXVUGRGPCRQH-OAHLLOKOSA-N 1 0 403.483 -0.027 20 0 HBADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541436147 1071452774 /nfs/dbraw/zinc/45/27/74/1071452774.db2.gz LPFOLCGJTNIKMY-UHFFFAOYSA-N 1 0 408.499 -0.073 20 0 HBADRO C[C@@H](CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000541520313 1071456807 /nfs/dbraw/zinc/45/68/07/1071456807.db2.gz OYZBLGHGFPZDCY-KRWDZBQOSA-N 1 0 409.531 -0.037 20 0 HBADRO C[C@H](CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000541520318 1071456665 /nfs/dbraw/zinc/45/66/65/1071456665.db2.gz OYZBLGHGFPZDCY-QGZVFWFLSA-N 1 0 409.531 -0.037 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541577406 1071460609 /nfs/dbraw/zinc/46/06/09/1071460609.db2.gz VOBMYUHLKSPZKA-UHFFFAOYSA-N 1 0 413.496 -0.216 20 0 HBADRO NS(=O)(=O)[C@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000541580071 1071459737 /nfs/dbraw/zinc/45/97/37/1071459737.db2.gz QEKKBQIUCDHXMZ-INIZCTEOSA-N 1 0 402.561 -0.109 20 0 HBADRO NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000541580072 1071459625 /nfs/dbraw/zinc/45/96/25/1071459625.db2.gz QEKKBQIUCDHXMZ-MRXNPFEDSA-N 1 0 402.561 -0.109 20 0 HBADRO CNC(=O)C1CCC(Nc2nc(NC)[nH+]c(NC3CCC(C(=O)NC)CC3)n2)CC1 ZINC000541594176 1071460567 /nfs/dbraw/zinc/46/05/67/1071460567.db2.gz UAEJMVCEWPZCEJ-UHFFFAOYSA-N 1 0 418.546 -0.388 20 0 HBADRO CC(C)CN(C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000541635545 1071463149 /nfs/dbraw/zinc/46/31/49/1071463149.db2.gz UENFZUFFJRWMOZ-CVEARBPZSA-N 1 0 403.545 -0.082 20 0 HBADRO CC(C)CN(C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000541635546 1071463129 /nfs/dbraw/zinc/46/31/29/1071463129.db2.gz UENFZUFFJRWMOZ-HOTGVXAUSA-N 1 0 403.545 -0.082 20 0 HBADRO CC(C)CN(C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000541635547 1071463813 /nfs/dbraw/zinc/46/38/13/1071463813.db2.gz UENFZUFFJRWMOZ-HZPDHXFCSA-N 1 0 403.545 -0.082 20 0 HBADRO CC(C)CN(C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000541635548 1071463852 /nfs/dbraw/zinc/46/38/52/1071463852.db2.gz UENFZUFFJRWMOZ-JKSUJKDBSA-N 1 0 403.545 -0.082 20 0 HBADRO NC(=O)C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000541637522 1071463904 /nfs/dbraw/zinc/46/39/04/1071463904.db2.gz YSOLKCGLBAKPIL-GOSISDBHSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000541637523 1071463761 /nfs/dbraw/zinc/46/37/61/1071463761.db2.gz YSOLKCGLBAKPIL-SFHVURJKSA-N 1 0 423.558 -0.597 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)cc1 ZINC000541664852 1071465109 /nfs/dbraw/zinc/46/51/09/1071465109.db2.gz BZICEVHCGUINCF-UHFFFAOYSA-N 1 0 424.523 -0.034 20 0 HBADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000541668612 1071469028 /nfs/dbraw/zinc/46/90/28/1071469028.db2.gz SEYCKBSNGMNAKD-IBGZPJMESA-N 1 0 402.455 -0.353 20 0 HBADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000541668613 1071469768 /nfs/dbraw/zinc/46/97/68/1071469768.db2.gz SEYCKBSNGMNAKD-LJQANCHMSA-N 1 0 402.455 -0.353 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000541674214 1071468283 /nfs/dbraw/zinc/46/82/83/1071468283.db2.gz FDPVYENDKAFJMV-UHFFFAOYSA-N 1 0 423.539 -0.181 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000541674811 1071468423 /nfs/dbraw/zinc/46/84/23/1071468423.db2.gz NPWLCQBMCVTOQD-UHFFFAOYSA-N 1 0 417.510 -0.086 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000541699274 1071471271 /nfs/dbraw/zinc/47/12/71/1071471271.db2.gz DBPYKPQVAUINDV-HNNXBMFYSA-N 1 0 410.496 -0.097 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000541699275 1071471387 /nfs/dbraw/zinc/47/13/87/1071471387.db2.gz DBPYKPQVAUINDV-OAHLLOKOSA-N 1 0 410.496 -0.097 20 0 HBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000541700183 1071472845 /nfs/dbraw/zinc/47/28/45/1071472845.db2.gz JRQGOQYVCHNCGO-HNNXBMFYSA-N 1 0 417.510 -0.087 20 0 HBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000541700184 1071472942 /nfs/dbraw/zinc/47/29/42/1071472942.db2.gz JRQGOQYVCHNCGO-OAHLLOKOSA-N 1 0 417.510 -0.087 20 0 HBADRO CCN1CCN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC000541712415 1071472388 /nfs/dbraw/zinc/47/23/88/1071472388.db2.gz SRPBNNJQJPFINR-UHFFFAOYSA-N 1 0 417.510 -0.058 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000541718484 1071474654 /nfs/dbraw/zinc/47/46/54/1071474654.db2.gz KYVSYNWTBAWZOB-UHFFFAOYSA-N 1 0 400.476 -0.098 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000541718939 1071474745 /nfs/dbraw/zinc/47/47/45/1071474745.db2.gz VWHRRTVMULNXAZ-UHFFFAOYSA-N 1 0 400.476 -0.098 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541750087 1071477996 /nfs/dbraw/zinc/47/79/96/1071477996.db2.gz AKSMQRCWFOVYNX-UHFFFAOYSA-N 1 0 404.577 -0.182 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541750653 1071477965 /nfs/dbraw/zinc/47/79/65/1071477965.db2.gz LVBJMXPRWAQTTR-UHFFFAOYSA-N 1 0 404.577 -0.182 20 0 HBADRO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)nn1 ZINC000541837106 1071482501 /nfs/dbraw/zinc/48/25/01/1071482501.db2.gz BQXYRHVUFSCZGE-AWEZNQCLSA-N 1 0 421.502 -0.001 20 0 HBADRO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)nn1 ZINC000541837110 1071482796 /nfs/dbraw/zinc/48/27/96/1071482796.db2.gz BQXYRHVUFSCZGE-CQSZACIVSA-N 1 0 421.502 -0.001 20 0 HBADRO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC000541839303 1071482530 /nfs/dbraw/zinc/48/25/30/1071482530.db2.gz LBTDSIICESNAOE-HNNXBMFYSA-N 1 0 407.475 -0.249 20 0 HBADRO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)nn1 ZINC000541839304 1071482603 /nfs/dbraw/zinc/48/26/03/1071482603.db2.gz LBTDSIICESNAOE-OAHLLOKOSA-N 1 0 407.475 -0.249 20 0 HBADRO CN(CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cc[nH+]cc1 ZINC000541852414 1071484285 /nfs/dbraw/zinc/48/42/85/1071484285.db2.gz ARBGSFXMRYFEQX-UHFFFAOYSA-N 1 0 410.544 -0.456 20 0 HBADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCS(=O)(=O)CC1 ZINC000541913168 1071487800 /nfs/dbraw/zinc/48/78/00/1071487800.db2.gz ZVMRBWLIPVUQBQ-INIZCTEOSA-N 1 0 403.526 -0.682 20 0 HBADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCS(=O)(=O)CC1 ZINC000541913169 1071487903 /nfs/dbraw/zinc/48/79/03/1071487903.db2.gz ZVMRBWLIPVUQBQ-MRXNPFEDSA-N 1 0 403.526 -0.682 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]2CCCC2)c1 ZINC000541915726 1071487830 /nfs/dbraw/zinc/48/78/30/1071487830.db2.gz XZKVXCPULIGKAP-BBRMVZONSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]2CCCC2)c1 ZINC000541915727 1071488038 /nfs/dbraw/zinc/48/80/38/1071488038.db2.gz XZKVXCPULIGKAP-CJNGLKHVSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]2CCCC2)c1 ZINC000541915728 1071487758 /nfs/dbraw/zinc/48/77/58/1071487758.db2.gz XZKVXCPULIGKAP-CZUORRHYSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]2CCCC2)c1 ZINC000541915729 1071487888 /nfs/dbraw/zinc/48/78/88/1071487888.db2.gz XZKVXCPULIGKAP-XJKSGUPXSA-N 1 0 412.512 -0.259 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541917590 1071489523 /nfs/dbraw/zinc/48/95/23/1071489523.db2.gz AMHLQCSSYPOENU-INIZCTEOSA-N 1 0 405.542 -0.388 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541917591 1071489343 /nfs/dbraw/zinc/48/93/43/1071489343.db2.gz AMHLQCSSYPOENU-MRXNPFEDSA-N 1 0 405.542 -0.388 20 0 HBADRO COc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1-n1cnnn1 ZINC000541958331 1071493968 /nfs/dbraw/zinc/49/39/68/1071493968.db2.gz XGYQSBCTLIJLPT-UHFFFAOYSA-N 1 0 403.487 -0.209 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)S(N)(=O)=O ZINC000541958521 1071493887 /nfs/dbraw/zinc/49/38/87/1071493887.db2.gz WSPAVTBQAXXZMG-AWEZNQCLSA-N 1 0 412.512 -0.429 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)S(N)(=O)=O ZINC000541958523 1071493989 /nfs/dbraw/zinc/49/39/89/1071493989.db2.gz WSPAVTBQAXXZMG-CQSZACIVSA-N 1 0 412.512 -0.429 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959036 1071495393 /nfs/dbraw/zinc/49/53/93/1071495393.db2.gz XEEBRKSLSJCXHV-CHWSQXEVSA-N 1 0 402.542 -0.131 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959037 1071495343 /nfs/dbraw/zinc/49/53/43/1071495343.db2.gz XEEBRKSLSJCXHV-OLZOCXBDSA-N 1 0 402.542 -0.131 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959038 1071496122 /nfs/dbraw/zinc/49/61/22/1071496122.db2.gz XEEBRKSLSJCXHV-QWHCGFSZSA-N 1 0 402.542 -0.131 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959039 1071496046 /nfs/dbraw/zinc/49/60/46/1071496046.db2.gz XEEBRKSLSJCXHV-STQMWFEESA-N 1 0 402.542 -0.131 20 0 HBADRO COc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1-n1cnnn1 ZINC000541961490 1071491865 /nfs/dbraw/zinc/49/18/65/1071491865.db2.gz DDSVQUKEXRNXIX-UHFFFAOYSA-N 1 0 413.442 -0.203 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541976770 1071496860 /nfs/dbraw/zinc/49/68/60/1071496860.db2.gz YKTURFYXAVMJFO-PBHICJAKSA-N 1 0 421.523 -0.030 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541976771 1071496983 /nfs/dbraw/zinc/49/69/83/1071496983.db2.gz YKTURFYXAVMJFO-RHSMWYFYSA-N 1 0 421.523 -0.030 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541976772 1071496934 /nfs/dbraw/zinc/49/69/34/1071496934.db2.gz YKTURFYXAVMJFO-WMLDXEAASA-N 1 0 421.523 -0.030 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541976773 1071496793 /nfs/dbraw/zinc/49/67/93/1071496793.db2.gz YKTURFYXAVMJFO-YOEHRIQHSA-N 1 0 421.523 -0.030 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000541993589 1071501095 /nfs/dbraw/zinc/50/10/95/1071501095.db2.gz YGRGWEFHCBROST-CYBMUJFWSA-N 1 0 420.557 -0.368 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000541993590 1071501064 /nfs/dbraw/zinc/50/10/64/1071501064.db2.gz YGRGWEFHCBROST-ZDUSSCGKSA-N 1 0 420.557 -0.368 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000542063912 1069604923 /nfs/dbraw/zinc/60/49/23/1069604923.db2.gz LAFUZBIXQURQRF-UHFFFAOYSA-N 1 0 423.518 -0.344 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000542066422 1071504973 /nfs/dbraw/zinc/50/49/73/1071504973.db2.gz BHNRIOIPOOWKMT-UHFFFAOYSA-N 1 0 413.482 -0.084 20 0 HBADRO COc1c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1C(N)=O ZINC000542067942 1071504883 /nfs/dbraw/zinc/50/48/83/1071504883.db2.gz ANWYWKRTYDETGW-UHFFFAOYSA-N 1 0 417.466 -0.501 20 0 HBADRO O=C(Cn1cnc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1)N1CCCCCC1 ZINC000542070891 1071504922 /nfs/dbraw/zinc/50/49/22/1071504922.db2.gz JJUKFPXLMJUCEC-UHFFFAOYSA-N 1 0 414.470 -0.336 20 0 HBADRO COc1c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cccc1C(N)=O ZINC000542071734 1071503672 /nfs/dbraw/zinc/50/36/72/1071503672.db2.gz SUEJGSGHGIFUCT-HNNXBMFYSA-N 1 0 417.466 -0.502 20 0 HBADRO COc1c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cccc1C(N)=O ZINC000542071737 1071504244 /nfs/dbraw/zinc/50/42/44/1071504244.db2.gz SUEJGSGHGIFUCT-OAHLLOKOSA-N 1 0 417.466 -0.502 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000542077414 1071506750 /nfs/dbraw/zinc/50/67/50/1071506750.db2.gz CBUYJCBLUHNNDE-UHFFFAOYSA-N 1 0 401.471 -0.057 20 0 HBADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2ncn(CC(=O)NC)n2)[NH+](C)C)cc1 ZINC000542081134 1071505498 /nfs/dbraw/zinc/50/54/98/1071505498.db2.gz QPTYBYWRFUNNJP-HNNXBMFYSA-N 1 0 401.471 -0.056 20 0 HBADRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ncn(CC(=O)NC)n2)[NH+](C)C)cc1 ZINC000542081135 1071505614 /nfs/dbraw/zinc/50/56/14/1071505614.db2.gz QPTYBYWRFUNNJP-OAHLLOKOSA-N 1 0 401.471 -0.056 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000542084302 1071505546 /nfs/dbraw/zinc/50/55/46/1071505546.db2.gz QGOBPXMYAGPOPF-UHFFFAOYSA-N 1 0 413.482 -0.131 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000542105362 1069547138 /nfs/dbraw/zinc/54/71/38/1069547138.db2.gz ADQJFXVVXWYJSQ-HNNXBMFYSA-N 1 0 401.471 -0.406 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000542105365 1069547121 /nfs/dbraw/zinc/54/71/21/1069547121.db2.gz ADQJFXVVXWYJSQ-OAHLLOKOSA-N 1 0 401.471 -0.406 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000542106044 1071508182 /nfs/dbraw/zinc/50/81/82/1071508182.db2.gz ISQYTAGGRBYPTI-HNNXBMFYSA-N 1 0 405.503 -0.067 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000542106050 1071508153 /nfs/dbraw/zinc/50/81/53/1071508153.db2.gz ISQYTAGGRBYPTI-OAHLLOKOSA-N 1 0 405.503 -0.067 20 0 HBADRO COc1ncncc1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000542108217 1071509292 /nfs/dbraw/zinc/50/92/92/1071509292.db2.gz ZAADQSJITORBMV-UHFFFAOYSA-N 1 0 414.470 -0.068 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000542176974 1071515623 /nfs/dbraw/zinc/51/56/23/1071515623.db2.gz MWEJGSIFYZHEBB-UHFFFAOYSA-N 1 0 405.480 -0.272 20 0 HBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000542184229 1071515038 /nfs/dbraw/zinc/51/50/38/1071515038.db2.gz VGZTUQYNXAIIPH-HNNXBMFYSA-N 1 0 404.533 -0.888 20 0 HBADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000542184237 1071515005 /nfs/dbraw/zinc/51/50/05/1071515005.db2.gz VGZTUQYNXAIIPH-OAHLLOKOSA-N 1 0 404.533 -0.888 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000542331515 1071530140 /nfs/dbraw/zinc/53/01/40/1071530140.db2.gz LEVBGYOKFCXMSL-AWEZNQCLSA-N 1 0 422.486 -0.406 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000542331982 1071530060 /nfs/dbraw/zinc/53/00/60/1071530060.db2.gz LEVBGYOKFCXMSL-CQSZACIVSA-N 1 0 422.486 -0.406 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000542334583 1071530934 /nfs/dbraw/zinc/53/09/34/1071530934.db2.gz XLNSGAIAGNMIMT-AWEZNQCLSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000542334588 1069628217 /nfs/dbraw/zinc/62/82/17/1069628217.db2.gz XLNSGAIAGNMIMT-CQSZACIVSA-N 1 0 406.487 -0.226 20 0 HBADRO CN(CCc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000542339656 1071531531 /nfs/dbraw/zinc/53/15/31/1071531531.db2.gz FGMIKKNQYYSOTD-UHFFFAOYSA-N 1 0 416.482 -0.094 20 0 HBADRO COc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1-n1cnnn1 ZINC000542364148 1071532059 /nfs/dbraw/zinc/53/20/59/1071532059.db2.gz FWRGCQSHMPXWFK-UHFFFAOYSA-N 1 0 402.455 -0.030 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCOCC[NH+](C)C)cc1 ZINC000542457400 1071540608 /nfs/dbraw/zinc/54/06/08/1071540608.db2.gz GJPXGHCOFVUINC-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000542473129 1071590473 /nfs/dbraw/zinc/59/04/73/1071590473.db2.gz FDVRZHQNBABVTP-UHFFFAOYSA-N 1 0 408.484 -0.108 20 0 HBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000542546215 1071657792 /nfs/dbraw/zinc/65/77/92/1071657792.db2.gz XCWOBGVCADURNR-HNNXBMFYSA-N 1 0 403.549 -0.313 20 0 HBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000542546216 1071657912 /nfs/dbraw/zinc/65/79/12/1071657912.db2.gz XCWOBGVCADURNR-OAHLLOKOSA-N 1 0 403.549 -0.313 20 0 HBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542592061 1071764143 /nfs/dbraw/zinc/76/41/43/1071764143.db2.gz WBODNWNLJZVDMO-HNNXBMFYSA-N 1 0 420.558 -0.413 20 0 HBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542592063 1071764445 /nfs/dbraw/zinc/76/44/45/1071764445.db2.gz WBODNWNLJZVDMO-OAHLLOKOSA-N 1 0 420.558 -0.413 20 0 HBADRO CN1CC[NH+](CC2(C)CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000542593091 1071766202 /nfs/dbraw/zinc/76/62/02/1071766202.db2.gz MHSKQCGPDXRDNJ-UHFFFAOYSA-N 1 0 406.531 -0.802 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)c1 ZINC000542594559 1071766121 /nfs/dbraw/zinc/76/61/21/1071766121.db2.gz DYKYKIDFCSWGDT-UHFFFAOYSA-N 1 0 424.523 -0.034 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000542599412 1071770204 /nfs/dbraw/zinc/77/02/04/1071770204.db2.gz CYSMAJNJQTYUNS-UHFFFAOYSA-N 1 0 417.510 -0.310 20 0 HBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)CC1 ZINC000542603819 1071783664 /nfs/dbraw/zinc/78/36/64/1071783664.db2.gz RWDQQKBJZVGNNE-UHFFFAOYSA-N 1 0 402.499 -0.005 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000542605539 1071784281 /nfs/dbraw/zinc/78/42/81/1071784281.db2.gz SZIVBSSEUXAEQI-UHFFFAOYSA-N 1 0 423.539 -0.299 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)cc1 ZINC000542626908 1072165599 /nfs/dbraw/zinc/16/55/99/1072165599.db2.gz GVUNXLLBAQBTBU-UHFFFAOYSA-N 1 0 412.512 -0.228 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542630246 1072167543 /nfs/dbraw/zinc/16/75/43/1072167543.db2.gz ANTCIYYCWXYKLN-CYBMUJFWSA-N 1 0 410.496 -0.216 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000542630247 1072167383 /nfs/dbraw/zinc/16/73/83/1072167383.db2.gz ANTCIYYCWXYKLN-ZDUSSCGKSA-N 1 0 410.496 -0.216 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000542647693 1069001519 /nfs/dbraw/zinc/00/15/19/1069001519.db2.gz CJLOECWFYHQIJS-UHFFFAOYSA-N 1 0 400.476 -0.098 20 0 HBADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000542659664 1069017965 /nfs/dbraw/zinc/01/79/65/1069017965.db2.gz DGXVFLKUWSQAKO-UHFFFAOYSA-N 1 0 420.470 -0.955 20 0 HBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542757140 1069165207 /nfs/dbraw/zinc/16/52/07/1069165207.db2.gz NIZOSLOWAIVYTG-UHFFFAOYSA-N 1 0 410.606 -0.395 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)[C@@H](C)O)cc1 ZINC000542786829 1069170747 /nfs/dbraw/zinc/17/07/47/1069170747.db2.gz KVHWLGFCWUAXID-AEFFLSMTSA-N 1 0 412.556 -0.271 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)[C@H](C)O)cc1 ZINC000542786831 1069171199 /nfs/dbraw/zinc/17/11/99/1069171199.db2.gz KVHWLGFCWUAXID-FUHWJXTLSA-N 1 0 412.556 -0.271 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)[C@@H](C)O)cc1 ZINC000542786832 1069171271 /nfs/dbraw/zinc/17/12/71/1069171271.db2.gz KVHWLGFCWUAXID-SJLPKXTDSA-N 1 0 412.556 -0.271 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)[C@H](C)O)cc1 ZINC000542786834 1069171071 /nfs/dbraw/zinc/17/10/71/1069171071.db2.gz KVHWLGFCWUAXID-WMZOPIPTSA-N 1 0 412.556 -0.271 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC000542851110 1069182381 /nfs/dbraw/zinc/18/23/81/1069182381.db2.gz GLWITIQHHRTSQJ-HNNXBMFYSA-N 1 0 408.480 -0.871 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000542851115 1069182283 /nfs/dbraw/zinc/18/22/83/1069182283.db2.gz GLWITIQHHRTSQJ-OAHLLOKOSA-N 1 0 408.480 -0.871 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)S(N)(=O)=O ZINC000542878435 1069186564 /nfs/dbraw/zinc/18/65/64/1069186564.db2.gz WCHGPCGBXKZFIB-AWEZNQCLSA-N 1 0 404.533 -0.869 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)S(N)(=O)=O ZINC000542878436 1069186607 /nfs/dbraw/zinc/18/66/07/1069186607.db2.gz WCHGPCGBXKZFIB-CQSZACIVSA-N 1 0 404.533 -0.869 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000542885449 1069195833 /nfs/dbraw/zinc/19/58/33/1069195833.db2.gz JUMFWNMNQIJIAN-PBHICJAKSA-N 1 0 410.540 -0.021 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000542885450 1069195843 /nfs/dbraw/zinc/19/58/43/1069195843.db2.gz JUMFWNMNQIJIAN-RHSMWYFYSA-N 1 0 410.540 -0.021 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000542885451 1069196695 /nfs/dbraw/zinc/19/66/95/1069196695.db2.gz JUMFWNMNQIJIAN-WMLDXEAASA-N 1 0 410.540 -0.021 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000542885452 1069196853 /nfs/dbraw/zinc/19/68/53/1069196853.db2.gz JUMFWNMNQIJIAN-YOEHRIQHSA-N 1 0 410.540 -0.021 20 0 HBADRO COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CCCC2)CC1 ZINC000542887394 1069197519 /nfs/dbraw/zinc/19/75/19/1069197519.db2.gz CTYJSARGILTYOD-CYBMUJFWSA-N 1 0 404.533 -0.681 20 0 HBADRO COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CCCC2)CC1 ZINC000542887397 1069197540 /nfs/dbraw/zinc/19/75/40/1069197540.db2.gz CTYJSARGILTYOD-ZDUSSCGKSA-N 1 0 404.533 -0.681 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(N)(=O)=O ZINC000542888850 1069198008 /nfs/dbraw/zinc/19/80/08/1069198008.db2.gz NTMYUZSGJACSRG-HZSPNIEDSA-N 1 0 404.533 -0.873 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(N)(=O)=O ZINC000542888854 1069198056 /nfs/dbraw/zinc/19/80/56/1069198056.db2.gz NTMYUZSGJACSRG-MCIONIFRSA-N 1 0 404.533 -0.873 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(N)(=O)=O ZINC000542888856 1069198209 /nfs/dbraw/zinc/19/82/09/1069198209.db2.gz NTMYUZSGJACSRG-MGPQQGTHSA-N 1 0 404.533 -0.873 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(N)(=O)=O ZINC000542888861 1069198110 /nfs/dbraw/zinc/19/81/10/1069198110.db2.gz NTMYUZSGJACSRG-MJBXVCDLSA-N 1 0 404.533 -0.873 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)S(N)(=O)=O ZINC000542890017 1069199483 /nfs/dbraw/zinc/19/94/83/1069199483.db2.gz VXZLSYSEHBRDHH-HNNXBMFYSA-N 1 0 411.528 -0.892 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)S(N)(=O)=O ZINC000542890022 1069199496 /nfs/dbraw/zinc/19/94/96/1069199496.db2.gz VXZLSYSEHBRDHH-OAHLLOKOSA-N 1 0 411.528 -0.892 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000542908274 1069206592 /nfs/dbraw/zinc/20/65/92/1069206592.db2.gz DZBMSIZNWICQNK-INIZCTEOSA-N 1 0 407.496 -0.196 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000542908285 1069206448 /nfs/dbraw/zinc/20/64/48/1069206448.db2.gz DZBMSIZNWICQNK-MRXNPFEDSA-N 1 0 407.496 -0.196 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000542909198 1069206546 /nfs/dbraw/zinc/20/65/46/1069206546.db2.gz SHJQAWNFSWMABJ-INIZCTEOSA-N 1 0 407.496 -0.419 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000542909200 1069206979 /nfs/dbraw/zinc/20/69/79/1069206979.db2.gz SHJQAWNFSWMABJ-MRXNPFEDSA-N 1 0 407.496 -0.419 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000542911873 1069207184 /nfs/dbraw/zinc/20/71/84/1069207184.db2.gz CDOIPSDYKMYFED-INIZCTEOSA-N 1 0 407.496 -0.419 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000542911874 1069207235 /nfs/dbraw/zinc/20/72/35/1069207235.db2.gz CDOIPSDYKMYFED-MRXNPFEDSA-N 1 0 407.496 -0.419 20 0 HBADRO COc1cccc(C(=O)NCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000542962349 1069225603 /nfs/dbraw/zinc/22/56/03/1069225603.db2.gz QIRIDTAODKDEML-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO Cc1cc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)[nH]n1 ZINC000542972487 1069231176 /nfs/dbraw/zinc/23/11/76/1069231176.db2.gz RENUUHFVFDCPOG-UHFFFAOYSA-N 1 0 418.542 -0.099 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)n1 ZINC000542992644 1069557435 /nfs/dbraw/zinc/55/74/35/1069557435.db2.gz MLNAIRIRGOJZSN-UHFFFAOYSA-N 1 0 423.424 -0.169 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cccc3c2OCO3)cn1 ZINC000543002528 1069272318 /nfs/dbraw/zinc/27/23/18/1069272318.db2.gz FBLBQGHTNJGIAP-UHFFFAOYSA-N 1 0 402.411 -0.133 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000543004950 1069272914 /nfs/dbraw/zinc/27/29/14/1069272914.db2.gz GPKKPEUMZDCCKV-AWEZNQCLSA-N 1 0 401.471 -0.011 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000543004951 1069273125 /nfs/dbraw/zinc/27/31/25/1069273125.db2.gz GPKKPEUMZDCCKV-CQSZACIVSA-N 1 0 401.471 -0.011 20 0 HBADRO COc1c(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cccc1C(N)=O ZINC000543014000 1069275908 /nfs/dbraw/zinc/27/59/08/1069275908.db2.gz IYNVIELOQZLLLA-UHFFFAOYSA-N 1 0 403.483 -0.027 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000543014668 1069544464 /nfs/dbraw/zinc/54/44/64/1069544464.db2.gz HYEYUYYGMSXHED-UHFFFAOYSA-N 1 0 401.471 -0.105 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000543045810 1069282147 /nfs/dbraw/zinc/28/21/47/1069282147.db2.gz DYSWMCAULRPVFM-CABCVRRESA-N 1 0 405.503 -0.450 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000543045811 1069281979 /nfs/dbraw/zinc/28/19/79/1069281979.db2.gz DYSWMCAULRPVFM-GJZGRUSLSA-N 1 0 405.503 -0.450 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1=O ZINC000543045812 1069281871 /nfs/dbraw/zinc/28/18/71/1069281871.db2.gz DYSWMCAULRPVFM-HUUCEWRRSA-N 1 0 405.503 -0.450 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1=O ZINC000543045813 1069282003 /nfs/dbraw/zinc/28/20/03/1069282003.db2.gz DYSWMCAULRPVFM-LSDHHAIUSA-N 1 0 405.503 -0.450 20 0 HBADRO COCCN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178738 1069309599 /nfs/dbraw/zinc/30/95/99/1069309599.db2.gz GPHGMHYQVZNKOG-KKUMJFAQSA-N 1 0 423.514 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178739 1069309796 /nfs/dbraw/zinc/30/97/96/1069309796.db2.gz GPHGMHYQVZNKOG-RRFJBIMHSA-N 1 0 423.514 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178740 1069310124 /nfs/dbraw/zinc/31/01/24/1069310124.db2.gz GPHGMHYQVZNKOG-SOUVJXGZSA-N 1 0 423.514 -0.131 20 0 HBADRO COCCN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178741 1069309687 /nfs/dbraw/zinc/30/96/87/1069309687.db2.gz GPHGMHYQVZNKOG-ZNMIVQPWSA-N 1 0 423.514 -0.131 20 0 HBADRO C[N@@H+]1CCCC12CCN(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000543197818 1069314073 /nfs/dbraw/zinc/31/40/73/1069314073.db2.gz LNRWDKPURMFCLL-UHFFFAOYSA-N 1 0 407.559 -0.450 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000543238263 1069317707 /nfs/dbraw/zinc/31/77/07/1069317707.db2.gz HAPAPEYCXSSINS-UHFFFAOYSA-N 1 0 424.542 -0.882 20 0 HBADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000543251804 1069318054 /nfs/dbraw/zinc/31/80/54/1069318054.db2.gz ISAQBRIMPFIQIQ-CABCVRRESA-N 1 0 408.503 -0.179 20 0 HBADRO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000543251805 1069318330 /nfs/dbraw/zinc/31/83/30/1069318330.db2.gz ISAQBRIMPFIQIQ-GJZGRUSLSA-N 1 0 408.503 -0.179 20 0 HBADRO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000543251806 1069318394 /nfs/dbraw/zinc/31/83/94/1069318394.db2.gz ISAQBRIMPFIQIQ-HUUCEWRRSA-N 1 0 408.503 -0.179 20 0 HBADRO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000543251807 1069318167 /nfs/dbraw/zinc/31/81/67/1069318167.db2.gz ISAQBRIMPFIQIQ-LSDHHAIUSA-N 1 0 408.503 -0.179 20 0 HBADRO O=C(CCCS(=O)(=O)N1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543294674 1069325199 /nfs/dbraw/zinc/32/51/99/1069325199.db2.gz UMBSDPPALZJFOE-UHFFFAOYSA-N 1 0 403.545 -0.122 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000543296704 1069325144 /nfs/dbraw/zinc/32/51/44/1069325144.db2.gz HUFNUQUOFIQVKA-INIZCTEOSA-N 1 0 403.545 -0.266 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000543296708 1069325319 /nfs/dbraw/zinc/32/53/19/1069325319.db2.gz HUFNUQUOFIQVKA-MRXNPFEDSA-N 1 0 403.545 -0.266 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297721 1069325060 /nfs/dbraw/zinc/32/50/60/1069325060.db2.gz RPSWRCSUHIEWMM-UHFFFAOYSA-N 1 0 407.533 -0.984 20 0 HBADRO CNS(=O)(=O)c1csc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000543297750 1069325274 /nfs/dbraw/zinc/32/52/74/1069325274.db2.gz SHUIDYUFXGGNJR-UHFFFAOYSA-N 1 0 403.526 -0.045 20 0 HBADRO CNc1nc(NCc2nnc(C(C)C)n2C)nc(NCc2nnc(C(C)C)n2C)[nH+]1 ZINC000543436692 1069343991 /nfs/dbraw/zinc/34/39/91/1069343991.db2.gz MXVBDXDEAHJRNL-UHFFFAOYSA-N 1 0 414.522 -0.093 20 0 HBADRO NC(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCCCC1 ZINC000543494708 1069405210 /nfs/dbraw/zinc/40/52/10/1069405210.db2.gz PSLYMWMQAWDGSL-DLBZAZTESA-N 1 0 414.572 -0.268 20 0 HBADRO NC(=O)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCCCC1 ZINC000543494712 1069405288 /nfs/dbraw/zinc/40/52/88/1069405288.db2.gz PSLYMWMQAWDGSL-IAGOWNOFSA-N 1 0 414.572 -0.268 20 0 HBADRO NC(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1CCCCC1 ZINC000543494714 1069405155 /nfs/dbraw/zinc/40/51/55/1069405155.db2.gz PSLYMWMQAWDGSL-IRXDYDNUSA-N 1 0 414.572 -0.268 20 0 HBADRO NC(=O)C[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CCCCC1 ZINC000543494716 1069405851 /nfs/dbraw/zinc/40/58/51/1069405851.db2.gz PSLYMWMQAWDGSL-SJORKVTESA-N 1 0 414.572 -0.268 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1 ZINC000543497378 1069407744 /nfs/dbraw/zinc/40/77/44/1069407744.db2.gz LGRHLDZEDCPCOQ-INIZCTEOSA-N 1 0 411.547 -0.695 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)CC1 ZINC000543497383 1069407591 /nfs/dbraw/zinc/40/75/91/1069407591.db2.gz LGRHLDZEDCPCOQ-MRXNPFEDSA-N 1 0 411.547 -0.695 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000543522358 1069419448 /nfs/dbraw/zinc/41/94/48/1069419448.db2.gz LWTUVNQIXYUTLJ-UHFFFAOYSA-N 1 0 401.489 -0.632 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc21 ZINC000543527899 1069421985 /nfs/dbraw/zinc/42/19/85/1069421985.db2.gz BZOWRRBABCSKET-UHFFFAOYSA-N 1 0 405.455 -0.769 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)ccc2oc1=O ZINC000543528918 1069421935 /nfs/dbraw/zinc/42/19/35/1069421935.db2.gz PPOMMEJEVLIPSE-HNNXBMFYSA-N 1 0 417.466 -0.362 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)ccc2oc1=O ZINC000543528923 1069422021 /nfs/dbraw/zinc/42/20/21/1069422021.db2.gz PPOMMEJEVLIPSE-OAHLLOKOSA-N 1 0 417.466 -0.362 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)CC1 ZINC000543529039 1069420886 /nfs/dbraw/zinc/42/08/86/1069420886.db2.gz UULFJKJPVHWKOS-IBGZPJMESA-N 1 0 401.511 -0.085 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)CC1 ZINC000543529043 1069421483 /nfs/dbraw/zinc/42/14/83/1069421483.db2.gz UULFJKJPVHWKOS-LJQANCHMSA-N 1 0 401.511 -0.085 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCN(CCO)CC1 ZINC000543530331 1069422411 /nfs/dbraw/zinc/42/24/11/1069422411.db2.gz WNKSGAMZHZNUDK-UHFFFAOYSA-N 1 0 419.526 -0.088 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000543530389 1069422430 /nfs/dbraw/zinc/42/24/30/1069422430.db2.gz YYHSYPDDHQFLHG-UHFFFAOYSA-N 1 0 403.527 -0.101 20 0 HBADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000543553204 1069427638 /nfs/dbraw/zinc/42/76/38/1069427638.db2.gz AXAZNJOWYOMIFG-UHFFFAOYSA-N 1 0 403.464 -0.008 20 0 HBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000543557119 1069428332 /nfs/dbraw/zinc/42/83/32/1069428332.db2.gz JPQPZPFGLLMDRA-AWEZNQCLSA-N 1 0 404.467 -0.050 20 0 HBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000543557120 1069428721 /nfs/dbraw/zinc/42/87/21/1069428721.db2.gz JPQPZPFGLLMDRA-CQSZACIVSA-N 1 0 404.467 -0.050 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C1 ZINC000543559132 1069428968 /nfs/dbraw/zinc/42/89/68/1069428968.db2.gz MIHDIOXCPXDYLN-AWEZNQCLSA-N 1 0 404.467 -0.003 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C1 ZINC000543559134 1069429246 /nfs/dbraw/zinc/42/92/46/1069429246.db2.gz MIHDIOXCPXDYLN-CQSZACIVSA-N 1 0 404.467 -0.003 20 0 HBADRO CCN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1=O ZINC000543572123 1069431181 /nfs/dbraw/zinc/43/11/81/1069431181.db2.gz MOOHXFGDFIMFGM-UHFFFAOYSA-N 1 0 403.439 -0.215 20 0 HBADRO C[C@H]1[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC12CCOCC2 ZINC000543573377 1069431117 /nfs/dbraw/zinc/43/11/17/1069431117.db2.gz AHTZRQNTZNCUAB-GOSISDBHSA-N 1 0 408.543 -0.120 20 0 HBADRO C[C@@H]1[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC12CCOCC2 ZINC000543573383 1069431081 /nfs/dbraw/zinc/43/10/81/1069431081.db2.gz AHTZRQNTZNCUAB-SFHVURJKSA-N 1 0 408.543 -0.120 20 0 HBADRO C[C@@H]1N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCC12CCOCC2 ZINC000543576200 1069431800 /nfs/dbraw/zinc/43/18/00/1069431800.db2.gz OHXAWHJPWJYIFY-HNNXBMFYSA-N 1 0 420.514 -0.083 20 0 HBADRO C[C@H]1N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCC12CCOCC2 ZINC000543576205 1069431828 /nfs/dbraw/zinc/43/18/28/1069431828.db2.gz OHXAWHJPWJYIFY-OAHLLOKOSA-N 1 0 420.514 -0.083 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000543609649 1069574008 /nfs/dbraw/zinc/57/40/08/1069574008.db2.gz RXMNRPRCEHVDGL-UHFFFAOYSA-N 1 0 412.560 -0.426 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543613266 1069580400 /nfs/dbraw/zinc/58/04/00/1069580400.db2.gz WDZGAZHUUFKRLH-UHFFFAOYSA-N 1 0 412.560 -0.426 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC000543685062 1069684598 /nfs/dbraw/zinc/68/45/98/1069684598.db2.gz AWNJMVFLJAXUCY-UHFFFAOYSA-N 1 0 413.544 -0.878 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000543775927 1071920773 /nfs/dbraw/zinc/92/07/73/1071920773.db2.gz ZFMBWSUCVMRWSE-INIZCTEOSA-N 1 0 405.503 -0.465 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000543775928 1071920838 /nfs/dbraw/zinc/92/08/38/1071920838.db2.gz ZFMBWSUCVMRWSE-MRXNPFEDSA-N 1 0 405.503 -0.465 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)S(N)(=O)=O ZINC000543801028 1071923241 /nfs/dbraw/zinc/92/32/41/1071923241.db2.gz DHIDPEBHMMHYSP-BBRMVZONSA-N 1 0 412.512 -0.947 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)S(N)(=O)=O ZINC000543801029 1071923092 /nfs/dbraw/zinc/92/30/92/1071923092.db2.gz DHIDPEBHMMHYSP-CJNGLKHVSA-N 1 0 412.512 -0.947 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)S(N)(=O)=O ZINC000543801032 1071923275 /nfs/dbraw/zinc/92/32/75/1071923275.db2.gz DHIDPEBHMMHYSP-CZUORRHYSA-N 1 0 412.512 -0.947 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)S(N)(=O)=O ZINC000543801034 1071923210 /nfs/dbraw/zinc/92/32/10/1071923210.db2.gz DHIDPEBHMMHYSP-XJKSGUPXSA-N 1 0 412.512 -0.947 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]2CCCC2)cc1 ZINC000543801053 1071923134 /nfs/dbraw/zinc/92/31/34/1071923134.db2.gz WBEPDSXMUKKGQF-BBRMVZONSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]2CCCC2)cc1 ZINC000543801054 1071923107 /nfs/dbraw/zinc/92/31/07/1071923107.db2.gz WBEPDSXMUKKGQF-CJNGLKHVSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]2CCCC2)cc1 ZINC000543801055 1071923649 /nfs/dbraw/zinc/92/36/49/1071923649.db2.gz WBEPDSXMUKKGQF-CZUORRHYSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]2CCCC2)cc1 ZINC000543801056 1071923716 /nfs/dbraw/zinc/92/37/16/1071923716.db2.gz WBEPDSXMUKKGQF-XJKSGUPXSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000543801564 1071923778 /nfs/dbraw/zinc/92/37/78/1071923778.db2.gz RBQUVOAUTMIQAZ-DZGCQCFKSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000543801565 1071923701 /nfs/dbraw/zinc/92/37/01/1071923701.db2.gz RBQUVOAUTMIQAZ-HIFRSBDPSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000543801566 1071923748 /nfs/dbraw/zinc/92/37/48/1071923748.db2.gz RBQUVOAUTMIQAZ-UKRRQHHQSA-N 1 0 412.512 -0.259 20 0 HBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000543801567 1071923811 /nfs/dbraw/zinc/92/38/11/1071923811.db2.gz RBQUVOAUTMIQAZ-ZFWWWQNUSA-N 1 0 412.512 -0.259 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)S(N)(=O)=O ZINC000543815173 1071962743 /nfs/dbraw/zinc/96/27/43/1071962743.db2.gz ZOYQVBHEPVPVHL-INIZCTEOSA-N 1 0 410.540 -0.053 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)S(N)(=O)=O ZINC000543815174 1071962708 /nfs/dbraw/zinc/96/27/08/1071962708.db2.gz ZOYQVBHEPVPVHL-MRXNPFEDSA-N 1 0 410.540 -0.053 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)S(N)(=O)=O ZINC000543815353 1071963015 /nfs/dbraw/zinc/96/30/15/1071963015.db2.gz BOMFSMJNHNQECS-CYBMUJFWSA-N 1 0 406.574 -0.353 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)S(N)(=O)=O ZINC000543815354 1071962926 /nfs/dbraw/zinc/96/29/26/1071962926.db2.gz BOMFSMJNHNQECS-ZDUSSCGKSA-N 1 0 406.574 -0.353 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)S(N)(=O)=O ZINC000543817507 1071964414 /nfs/dbraw/zinc/96/44/14/1071964414.db2.gz ADYKHVGQLKAPMK-LLVKDONJSA-N 1 0 406.455 -0.352 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)S(N)(=O)=O ZINC000543817508 1071964574 /nfs/dbraw/zinc/96/45/74/1071964574.db2.gz ADYKHVGQLKAPMK-NSHDSACASA-N 1 0 406.455 -0.352 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000543824828 1070625234 /nfs/dbraw/zinc/62/52/34/1070625234.db2.gz BOWQLXRQICEDEC-HNNXBMFYSA-N 1 0 419.438 -0.932 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCO1 ZINC000543824832 1070625304 /nfs/dbraw/zinc/62/53/04/1070625304.db2.gz BOWQLXRQICEDEC-OAHLLOKOSA-N 1 0 419.438 -0.932 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000543827316 1068944705 /nfs/dbraw/zinc/94/47/05/1068944705.db2.gz UKZMRLIRMCSXQL-KRWDZBQOSA-N 1 0 403.483 -0.654 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000543827322 1071966348 /nfs/dbraw/zinc/96/63/48/1071966348.db2.gz UKZMRLIRMCSXQL-QGZVFWFLSA-N 1 0 403.483 -0.654 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000543827976 1071966716 /nfs/dbraw/zinc/96/67/16/1071966716.db2.gz WYGWHWXLBDFMBR-HNNXBMFYSA-N 1 0 405.455 -0.511 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000543827977 1071966875 /nfs/dbraw/zinc/96/68/75/1071966875.db2.gz WYGWHWXLBDFMBR-OAHLLOKOSA-N 1 0 405.455 -0.511 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(=O)n(C)c1=O ZINC000543833907 1069273996 /nfs/dbraw/zinc/27/39/96/1069273996.db2.gz CWBGKWCAMZHWJR-INIZCTEOSA-N 1 0 422.507 -0.481 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(=O)n(C)c1=O ZINC000543833908 1069274175 /nfs/dbraw/zinc/27/41/75/1069274175.db2.gz CWBGKWCAMZHWJR-MRXNPFEDSA-N 1 0 422.507 -0.481 20 0 HBADRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543839155 1071967422 /nfs/dbraw/zinc/96/74/22/1071967422.db2.gz JWDNBNRSDBMFLB-IBGZPJMESA-N 1 0 404.511 -0.379 20 0 HBADRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543839156 1071967482 /nfs/dbraw/zinc/96/74/82/1071967482.db2.gz JWDNBNRSDBMFLB-LJQANCHMSA-N 1 0 404.511 -0.379 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000543921903 1069541824 /nfs/dbraw/zinc/54/18/24/1069541824.db2.gz ZDAOXVRXMBXKMC-UHFFFAOYSA-N 1 0 405.434 -0.308 20 0 HBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)n1 ZINC000543926719 1069557477 /nfs/dbraw/zinc/55/74/77/1069557477.db2.gz RUZJPSZOYQXAHS-UHFFFAOYSA-N 1 0 401.471 -0.139 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000543961397 1069661659 /nfs/dbraw/zinc/66/16/59/1069661659.db2.gz USNNUBKDJWGNSN-AWEZNQCLSA-N 1 0 401.471 -0.059 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000543961398 1069550052 /nfs/dbraw/zinc/55/00/52/1069550052.db2.gz USNNUBKDJWGNSN-CQSZACIVSA-N 1 0 401.471 -0.059 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000543994047 1071978905 /nfs/dbraw/zinc/97/89/05/1071978905.db2.gz QJEQRNYYLWQXQK-AWEZNQCLSA-N 1 0 405.480 -0.048 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000543994048 1071979482 /nfs/dbraw/zinc/97/94/82/1071979482.db2.gz QJEQRNYYLWQXQK-CQSZACIVSA-N 1 0 405.480 -0.048 20 0 HBADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000544097157 1069012597 /nfs/dbraw/zinc/01/25/97/1069012597.db2.gz MUQKWTCGPUJFKH-KRWDZBQOSA-N 1 0 414.503 -0.147 20 0 HBADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000544097167 1071989756 /nfs/dbraw/zinc/98/97/56/1071989756.db2.gz MUQKWTCGPUJFKH-QGZVFWFLSA-N 1 0 414.503 -0.147 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000544106671 1069062523 /nfs/dbraw/zinc/06/25/23/1069062523.db2.gz VWBMUDBEYRRHFA-ARFHVFGLSA-N 1 0 412.512 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000544106672 1069062532 /nfs/dbraw/zinc/06/25/32/1069062532.db2.gz VWBMUDBEYRRHFA-HRCADAONSA-N 1 0 412.512 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000544106673 1069062555 /nfs/dbraw/zinc/06/25/55/1069062555.db2.gz VWBMUDBEYRRHFA-JYJNAYRXSA-N 1 0 412.512 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000544106674 1069062590 /nfs/dbraw/zinc/06/25/90/1069062590.db2.gz VWBMUDBEYRRHFA-XHSDSOJGSA-N 1 0 412.512 -0.173 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000544161176 1071993532 /nfs/dbraw/zinc/99/35/32/1071993532.db2.gz BOCGCDHICZGFDN-AWEZNQCLSA-N 1 0 408.503 -0.075 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000544161178 1069628793 /nfs/dbraw/zinc/62/87/93/1069628793.db2.gz BOCGCDHICZGFDN-CQSZACIVSA-N 1 0 408.503 -0.075 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000544184581 1069628864 /nfs/dbraw/zinc/62/88/64/1069628864.db2.gz BOVUDMSLITXDIV-HNNXBMFYSA-N 1 0 408.503 -0.077 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000544184582 1069629027 /nfs/dbraw/zinc/62/90/27/1069629027.db2.gz BOVUDMSLITXDIV-OAHLLOKOSA-N 1 0 408.503 -0.077 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCn3ccnn3)cc21 ZINC000544193034 1071995450 /nfs/dbraw/zinc/99/54/50/1071995450.db2.gz WDQMFFKGFPLUKT-UHFFFAOYSA-N 1 0 401.427 -0.107 20 0 HBADRO COC(=O)c1sccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000544214391 1072001987 /nfs/dbraw/zinc/00/19/87/1072001987.db2.gz WWRAYENRWZOGBK-UHFFFAOYSA-N 1 0 422.467 -0.014 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000544237190 1072004245 /nfs/dbraw/zinc/00/42/45/1072004245.db2.gz JXKUVRTXDVNZHG-IBGZPJMESA-N 1 0 413.482 -0.458 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000544237191 1072004087 /nfs/dbraw/zinc/00/40/87/1072004087.db2.gz JXKUVRTXDVNZHG-LJQANCHMSA-N 1 0 413.482 -0.458 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544239070 1072004810 /nfs/dbraw/zinc/00/48/10/1072004810.db2.gz BIPVJYPMBKUXBP-UHFFFAOYSA-N 1 0 412.512 -0.564 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544240414 1072004761 /nfs/dbraw/zinc/00/47/61/1072004761.db2.gz LNQAOTCCYZXGOI-HNNXBMFYSA-N 1 0 423.601 -0.267 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544240417 1069913952 /nfs/dbraw/zinc/91/39/52/1069913952.db2.gz LNQAOTCCYZXGOI-OAHLLOKOSA-N 1 0 423.601 -0.267 20 0 HBADRO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000544242567 1069925741 /nfs/dbraw/zinc/92/57/41/1069925741.db2.gz VMVJAJZQCPQCJM-HNNXBMFYSA-N 1 0 408.499 -0.075 20 0 HBADRO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000544242568 1069926051 /nfs/dbraw/zinc/92/60/51/1069926051.db2.gz VMVJAJZQCPQCJM-OAHLLOKOSA-N 1 0 408.499 -0.075 20 0 HBADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc(C[C@@H]3NC(=O)NC3=O)n2)cc1 ZINC000544252288 1072005154 /nfs/dbraw/zinc/00/51/54/1072005154.db2.gz RQQHXYSUTJZDNO-ZDUSSCGKSA-N 1 0 422.467 -0.283 20 0 HBADRO C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc(C[C@@H]3NC(=O)NC3=O)n2)c1 ZINC000544302722 1072006768 /nfs/dbraw/zinc/00/67/68/1072006768.db2.gz BZGFKIOBZVMLCA-ZDUSSCGKSA-N 1 0 422.467 -0.283 20 0 HBADRO C[NH+](C)CCOCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000544341371 1070824498 /nfs/dbraw/zinc/82/44/98/1070824498.db2.gz ZDYNLKKILCRUMC-UHFFFAOYSA-N 1 0 401.485 -0.179 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCOCC[NH+](C)C)c1 ZINC000544346765 1072007643 /nfs/dbraw/zinc/00/76/43/1072007643.db2.gz HPGFQSRLEQNQOA-UHFFFAOYSA-N 1 0 400.501 -0.639 20 0 HBADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000544389592 1072009318 /nfs/dbraw/zinc/00/93/18/1072009318.db2.gz UKMSYUPHFAKETK-UHFFFAOYSA-N 1 0 421.541 -0.436 20 0 HBADRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1O ZINC000544440764 1072012554 /nfs/dbraw/zinc/01/25/54/1072012554.db2.gz MLCFDLONNCIZKU-MSOLQXFVSA-N 1 0 410.559 -0.282 20 0 HBADRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1O ZINC000544440766 1072012820 /nfs/dbraw/zinc/01/28/20/1072012820.db2.gz MLCFDLONNCIZKU-QZTJIDSGSA-N 1 0 410.559 -0.282 20 0 HBADRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1O ZINC000544440768 1072012863 /nfs/dbraw/zinc/01/28/63/1072012863.db2.gz MLCFDLONNCIZKU-ROUUACIJSA-N 1 0 410.559 -0.282 20 0 HBADRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1O ZINC000544440770 1072012637 /nfs/dbraw/zinc/01/26/37/1072012637.db2.gz MLCFDLONNCIZKU-ZWKOTPCHSA-N 1 0 410.559 -0.282 20 0 HBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000544440829 1072012685 /nfs/dbraw/zinc/01/26/85/1072012685.db2.gz WHTHRNWVOANMPO-INIZCTEOSA-N 1 0 417.576 -0.065 20 0 HBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000544440830 1072012737 /nfs/dbraw/zinc/01/27/37/1072012737.db2.gz WHTHRNWVOANMPO-MRXNPFEDSA-N 1 0 417.576 -0.065 20 0 HBADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000544460808 1072014279 /nfs/dbraw/zinc/01/42/79/1072014279.db2.gz ZHVLXAIVKCGUCR-BLLLJJGKSA-N 1 0 424.523 -0.128 20 0 HBADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000544460809 1072014125 /nfs/dbraw/zinc/01/41/25/1072014125.db2.gz ZHVLXAIVKCGUCR-LRDDRELGSA-N 1 0 424.523 -0.128 20 0 HBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000544460810 1072014152 /nfs/dbraw/zinc/01/41/52/1072014152.db2.gz ZHVLXAIVKCGUCR-MLGOLLRUSA-N 1 0 424.523 -0.128 20 0 HBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000544460811 1072014231 /nfs/dbraw/zinc/01/42/31/1072014231.db2.gz ZHVLXAIVKCGUCR-WBMJQRKESA-N 1 0 424.523 -0.128 20 0 HBADRO CN1CC[NH+](CC2(C)CCN(Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000544487042 1071431639 /nfs/dbraw/zinc/43/16/39/1071431639.db2.gz KQLBTSZMQNDCRW-UHFFFAOYSA-N 1 0 403.531 -0.190 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000544489619 1072016156 /nfs/dbraw/zinc/01/61/56/1072016156.db2.gz SNUVAUNYSLBVRB-INIZCTEOSA-N 1 0 404.467 -0.259 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000544489621 1072016216 /nfs/dbraw/zinc/01/62/16/1072016216.db2.gz SNUVAUNYSLBVRB-MRXNPFEDSA-N 1 0 404.467 -0.259 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000544491249 1072015937 /nfs/dbraw/zinc/01/59/37/1072015937.db2.gz YONDPQRPRSCGBV-UHFFFAOYSA-N 1 0 412.512 -0.016 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000544499125 1072017297 /nfs/dbraw/zinc/01/72/97/1072017297.db2.gz GGRMEXLEGGDBOL-UHFFFAOYSA-N 1 0 402.455 -0.087 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@]2(C)CCCO)cn1 ZINC000544500014 1072017715 /nfs/dbraw/zinc/01/77/15/1072017715.db2.gz QGLRLYAUDCUZGJ-IBGZPJMESA-N 1 0 408.503 -0.347 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@]2(C)CCCO)cn1 ZINC000544500015 1072017851 /nfs/dbraw/zinc/01/78/51/1072017851.db2.gz QGLRLYAUDCUZGJ-LJQANCHMSA-N 1 0 408.503 -0.347 20 0 HBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000544528189 1072019999 /nfs/dbraw/zinc/01/99/99/1072019999.db2.gz DLYLPIFHEOWJHK-UHFFFAOYSA-N 1 0 412.512 -0.433 20 0 HBADRO CC[NH+](CC)CCOCCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000544689773 1072028080 /nfs/dbraw/zinc/02/80/80/1072028080.db2.gz XEDIHMUYOLYIFS-GOSISDBHSA-N 1 0 413.563 -0.081 20 0 HBADRO CC[NH+](CC)CCOCCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000544689774 1072028038 /nfs/dbraw/zinc/02/80/38/1072028038.db2.gz XEDIHMUYOLYIFS-SFHVURJKSA-N 1 0 413.563 -0.081 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000544704858 1072029151 /nfs/dbraw/zinc/02/91/51/1072029151.db2.gz QKPPEZGAKVVPJR-UHFFFAOYSA-N 1 0 419.525 -0.054 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000544707461 1072029109 /nfs/dbraw/zinc/02/91/09/1072029109.db2.gz LVVWOSUNVJBVOB-UHFFFAOYSA-N 1 0 417.484 -0.214 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000544708342 1072029003 /nfs/dbraw/zinc/02/90/03/1072029003.db2.gz URDUBZFIZVMMDG-UHFFFAOYSA-N 1 0 419.525 -0.054 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000544708978 1072029130 /nfs/dbraw/zinc/02/91/30/1072029130.db2.gz PIDORQJNLYVJPO-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000544709790 1072029714 /nfs/dbraw/zinc/02/97/14/1072029714.db2.gz JIWSFAYVEVLBOT-UHFFFAOYSA-N 1 0 422.507 -0.061 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000544709960 1072029436 /nfs/dbraw/zinc/02/94/36/1072029436.db2.gz MBPJJOVTZPRVLG-UHFFFAOYSA-N 1 0 414.484 -0.721 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000544710492 1072029667 /nfs/dbraw/zinc/02/96/67/1072029667.db2.gz XFXXOHRWVZSCBU-UHFFFAOYSA-N 1 0 403.457 -0.523 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCC1 ZINC000544737727 1072030565 /nfs/dbraw/zinc/03/05/65/1072030565.db2.gz UWQRKRRSHLVYIV-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CC2(O)CCC2)CC1 ZINC000544750838 1072031805 /nfs/dbraw/zinc/03/18/05/1072031805.db2.gz WXSZGHFBGLBWJL-UHFFFAOYSA-N 1 0 400.501 -0.029 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000544779416 1072035036 /nfs/dbraw/zinc/03/50/36/1072035036.db2.gz YZKBBOUDMXKDEL-KRWDZBQOSA-N 1 0 400.483 -0.250 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000544779417 1072034807 /nfs/dbraw/zinc/03/48/07/1072034807.db2.gz YZKBBOUDMXKDEL-QGZVFWFLSA-N 1 0 400.483 -0.250 20 0 HBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)nn1 ZINC000544856744 1072040345 /nfs/dbraw/zinc/04/03/45/1072040345.db2.gz OQIOOKFCLVJGIL-GDBMZVCRSA-N 1 0 421.502 -0.036 20 0 HBADRO COC(=O)c1cn([C@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)nn1 ZINC000544856745 1072040190 /nfs/dbraw/zinc/04/01/90/1072040190.db2.gz OQIOOKFCLVJGIL-GOEBONIOSA-N 1 0 421.502 -0.036 20 0 HBADRO COC(=O)c1cn([C@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)nn1 ZINC000544856746 1072040114 /nfs/dbraw/zinc/04/01/14/1072040114.db2.gz OQIOOKFCLVJGIL-HOCLYGCPSA-N 1 0 421.502 -0.036 20 0 HBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)nn1 ZINC000544856747 1072040247 /nfs/dbraw/zinc/04/02/47/1072040247.db2.gz OQIOOKFCLVJGIL-ZBFHGGJFSA-N 1 0 421.502 -0.036 20 0 HBADRO COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544894137 1068330486 /nfs/dbraw/zinc/33/04/86/1068330486.db2.gz QSMZKOGWUCVUEI-HNNXBMFYSA-N 1 0 414.470 -0.160 20 0 HBADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544943257 1072049235 /nfs/dbraw/zinc/04/92/35/1072049235.db2.gz PFVBVZFQDVSRRS-UHFFFAOYSA-N 1 0 402.451 -0.212 20 0 HBADRO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544943737 1072049102 /nfs/dbraw/zinc/04/91/02/1072049102.db2.gz USPZJMRVSJAEFO-UHFFFAOYSA-N 1 0 408.499 -0.073 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545153368 1072061602 /nfs/dbraw/zinc/06/16/02/1072061602.db2.gz IQKORIKMIBYGBD-RBZFPXEDSA-N 1 0 420.466 -0.511 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545153369 1072061927 /nfs/dbraw/zinc/06/19/27/1072061927.db2.gz IQKORIKMIBYGBD-RNODOKPDSA-N 1 0 420.466 -0.511 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545153370 1072061897 /nfs/dbraw/zinc/06/18/97/1072061897.db2.gz IQKORIKMIBYGBD-XCLFUZPHSA-N 1 0 420.466 -0.511 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545153371 1072061662 /nfs/dbraw/zinc/06/16/62/1072061662.db2.gz IQKORIKMIBYGBD-ZUOKHONESA-N 1 0 420.466 -0.511 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000545153610 1072061578 /nfs/dbraw/zinc/06/15/78/1072061578.db2.gz PYJDKIKZGLCWMQ-IBGZPJMESA-N 1 0 410.540 -0.516 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000545153611 1072061916 /nfs/dbraw/zinc/06/19/16/1072061916.db2.gz PYJDKIKZGLCWMQ-LJQANCHMSA-N 1 0 410.540 -0.516 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545154314 1072061950 /nfs/dbraw/zinc/06/19/50/1072061950.db2.gz JZYZGFLTAQSTFM-INIZCTEOSA-N 1 0 402.448 -0.803 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545154315 1072062268 /nfs/dbraw/zinc/06/22/68/1072062268.db2.gz JZYZGFLTAQSTFM-MRXNPFEDSA-N 1 0 402.448 -0.803 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545154513 1072061755 /nfs/dbraw/zinc/06/17/55/1072061755.db2.gz PRZCUKXQMSCOHQ-IBGZPJMESA-N 1 0 411.524 -0.177 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545154514 1072061790 /nfs/dbraw/zinc/06/17/90/1072061790.db2.gz PRZCUKXQMSCOHQ-LJQANCHMSA-N 1 0 411.524 -0.177 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545154720 1072061846 /nfs/dbraw/zinc/06/18/46/1072061846.db2.gz VCFBOEKXNCIGGP-FQEVSTJZSA-N 1 0 420.466 -0.569 20 0 HBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545154721 1072061686 /nfs/dbraw/zinc/06/16/86/1072061686.db2.gz VCFBOEKXNCIGGP-HXUWFJFHSA-N 1 0 420.466 -0.569 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000545155364 1072062448 /nfs/dbraw/zinc/06/24/48/1072062448.db2.gz PMKZEZDCAKUYCQ-UHFFFAOYSA-N 1 0 404.471 -0.551 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545161161 1072062496 /nfs/dbraw/zinc/06/24/96/1072062496.db2.gz MUPNQSMYACWHPX-INIZCTEOSA-N 1 0 419.525 -0.948 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545161162 1072062390 /nfs/dbraw/zinc/06/23/90/1072062390.db2.gz MUPNQSMYACWHPX-MRXNPFEDSA-N 1 0 419.525 -0.948 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545168612 1072062898 /nfs/dbraw/zinc/06/28/98/1072062898.db2.gz NNNYTQQVCZEAOI-ACJLOTCBSA-N 1 0 412.512 -0.115 20 0 HBADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545168613 1072062835 /nfs/dbraw/zinc/06/28/35/1072062835.db2.gz NNNYTQQVCZEAOI-FZKQIMNGSA-N 1 0 412.512 -0.115 20 0 HBADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545168614 1072062764 /nfs/dbraw/zinc/06/27/64/1072062764.db2.gz NNNYTQQVCZEAOI-SCLBCKFNSA-N 1 0 412.512 -0.115 20 0 HBADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545168615 1072062950 /nfs/dbraw/zinc/06/29/50/1072062950.db2.gz NNNYTQQVCZEAOI-UGSOOPFHSA-N 1 0 412.512 -0.115 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000545172123 1068822728 /nfs/dbraw/zinc/82/27/28/1068822728.db2.gz APTLYUYMVWDCHO-INIZCTEOSA-N 1 0 403.526 -0.506 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000545172124 1068822773 /nfs/dbraw/zinc/82/27/73/1068822773.db2.gz APTLYUYMVWDCHO-MRXNPFEDSA-N 1 0 403.526 -0.506 20 0 HBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC000545176893 1072063386 /nfs/dbraw/zinc/06/33/86/1072063386.db2.gz VVMJCCOHKIXCMG-GJZGRUSLSA-N 1 0 421.502 -0.001 20 0 HBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)nn1 ZINC000545176895 1072063582 /nfs/dbraw/zinc/06/35/82/1072063582.db2.gz VVMJCCOHKIXCMG-HUUCEWRRSA-N 1 0 421.502 -0.001 20 0 HBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC000545176899 1072063413 /nfs/dbraw/zinc/06/34/13/1072063413.db2.gz VVMJCCOHKIXCMG-LSDHHAIUSA-N 1 0 421.502 -0.001 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000545275839 1072072266 /nfs/dbraw/zinc/07/22/66/1072072266.db2.gz ZAJJVKWDJPCCGA-UHFFFAOYSA-N 1 0 412.512 -0.160 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000545279826 1072072936 /nfs/dbraw/zinc/07/29/36/1072072936.db2.gz QXYXFQSHYRBPNC-UHFFFAOYSA-N 1 0 418.541 -0.725 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000545280172 1072072338 /nfs/dbraw/zinc/07/23/38/1072072338.db2.gz NEAXLELVBMQHMC-UHFFFAOYSA-N 1 0 416.475 -0.664 20 0 HBADRO CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000545327843 1072076293 /nfs/dbraw/zinc/07/62/93/1072076293.db2.gz LKVRNFMNHWPVKJ-INIZCTEOSA-N 1 0 424.502 -0.848 20 0 HBADRO CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000545327851 1072076437 /nfs/dbraw/zinc/07/64/37/1072076437.db2.gz LKVRNFMNHWPVKJ-MRXNPFEDSA-N 1 0 424.502 -0.848 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000545349460 1072077745 /nfs/dbraw/zinc/07/77/45/1072077745.db2.gz BSZSJPLRFBWXIP-UHFFFAOYSA-N 1 0 405.908 -0.272 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000545349658 1072077825 /nfs/dbraw/zinc/07/78/25/1072077825.db2.gz CUBPXAVGSKNYPE-UHFFFAOYSA-N 1 0 424.523 -0.616 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000545349739 1072077569 /nfs/dbraw/zinc/07/75/69/1072077569.db2.gz VVBFKRXVCWAMNP-UHFFFAOYSA-N 1 0 417.484 -0.214 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000545349909 1072077611 /nfs/dbraw/zinc/07/76/11/1072077611.db2.gz YZQXSKLMBBEUBC-UHFFFAOYSA-N 1 0 424.527 -0.312 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000545350165 1072077627 /nfs/dbraw/zinc/07/76/27/1072077627.db2.gz JXUGWBLMWZEMAM-UHFFFAOYSA-N 1 0 414.484 -0.721 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000545350187 1072077766 /nfs/dbraw/zinc/07/77/66/1072077766.db2.gz LKAJZGVVJRFONB-CABCVRRESA-N 1 0 405.517 -0.620 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000545350188 1072077701 /nfs/dbraw/zinc/07/77/01/1072077701.db2.gz LKAJZGVVJRFONB-GJZGRUSLSA-N 1 0 405.517 -0.620 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC ZINC000545350189 1072077778 /nfs/dbraw/zinc/07/77/78/1072077778.db2.gz LKAJZGVVJRFONB-HUUCEWRRSA-N 1 0 405.517 -0.620 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000545350190 1072077810 /nfs/dbraw/zinc/07/78/10/1072077810.db2.gz LKAJZGVVJRFONB-LSDHHAIUSA-N 1 0 405.517 -0.620 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000545350197 1069026774 /nfs/dbraw/zinc/02/67/74/1069026774.db2.gz LTXFBHPIRNSSNT-UHFFFAOYSA-N 1 0 403.457 -0.523 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C(=O)OC ZINC000545350201 1072077664 /nfs/dbraw/zinc/07/76/64/1072077664.db2.gz MBFABPCXMIVBTJ-UHFFFAOYSA-N 1 0 419.525 -0.054 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000545350400 1069027122 /nfs/dbraw/zinc/02/71/22/1069027122.db2.gz PXRRECRLEUDDGD-UHFFFAOYSA-N 1 0 409.459 -0.441 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C(=O)OC ZINC000545351386 1069028458 /nfs/dbraw/zinc/02/84/58/1069028458.db2.gz BRPBGXXYLUUBFF-UHFFFAOYSA-N 1 0 413.496 -0.116 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000545351625 1069027665 /nfs/dbraw/zinc/02/76/65/1069027665.db2.gz NLRBWACDLZFJSR-UHFFFAOYSA-N 1 0 413.496 -0.116 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000545353356 1072077791 /nfs/dbraw/zinc/07/77/91/1072077791.db2.gz UVEYWTHCTQUPJN-UHFFFAOYSA-N 1 0 423.499 -0.927 20 0 HBADRO COC(=O)Cn1cc(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cn1 ZINC000545365955 1072078225 /nfs/dbraw/zinc/07/82/25/1072078225.db2.gz ANUIWCANNDVWNH-UHFFFAOYSA-N 1 0 402.473 -0.391 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545396609 1069047924 /nfs/dbraw/zinc/04/79/24/1069047924.db2.gz CEFCYPQWWZAODV-KRWDZBQOSA-N 1 0 400.501 -0.029 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000545396610 1069047861 /nfs/dbraw/zinc/04/78/61/1069047861.db2.gz CEFCYPQWWZAODV-QGZVFWFLSA-N 1 0 400.501 -0.029 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000545409695 1072081198 /nfs/dbraw/zinc/08/11/98/1072081198.db2.gz YLGBFCDYZOARGL-QGZVFWFLSA-N 1 0 420.489 -0.022 20 0 HBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545415268 1072081251 /nfs/dbraw/zinc/08/12/51/1072081251.db2.gz PYGKSCLTLUEQBR-CABCVRRESA-N 1 0 401.471 -0.462 20 0 HBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545415269 1072081324 /nfs/dbraw/zinc/08/13/24/1072081324.db2.gz PYGKSCLTLUEQBR-GJZGRUSLSA-N 1 0 401.471 -0.462 20 0 HBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545415270 1072081364 /nfs/dbraw/zinc/08/13/64/1072081364.db2.gz PYGKSCLTLUEQBR-HUUCEWRRSA-N 1 0 401.471 -0.462 20 0 HBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545415271 1072081218 /nfs/dbraw/zinc/08/12/18/1072081218.db2.gz PYGKSCLTLUEQBR-LSDHHAIUSA-N 1 0 401.471 -0.462 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c2ccccc2)CC1 ZINC000545436070 1072084145 /nfs/dbraw/zinc/08/41/45/1072084145.db2.gz LZTAAVUXMLVVDL-DLBZAZTESA-N 1 0 400.483 -0.079 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c2ccccc2)CC1 ZINC000545436071 1072084073 /nfs/dbraw/zinc/08/40/73/1072084073.db2.gz LZTAAVUXMLVVDL-IAGOWNOFSA-N 1 0 400.483 -0.079 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c2ccccc2)CC1 ZINC000545436072 1072084128 /nfs/dbraw/zinc/08/41/28/1072084128.db2.gz LZTAAVUXMLVVDL-IRXDYDNUSA-N 1 0 400.483 -0.079 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c2ccccc2)CC1 ZINC000545436073 1072084180 /nfs/dbraw/zinc/08/41/80/1072084180.db2.gz LZTAAVUXMLVVDL-SJORKVTESA-N 1 0 400.483 -0.079 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCC1 ZINC000545442371 1072085407 /nfs/dbraw/zinc/08/54/07/1072085407.db2.gz VMEKDWVHTAMVHW-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCCS1(=O)=O ZINC000545560975 1072094528 /nfs/dbraw/zinc/09/45/28/1072094528.db2.gz PZOUVCPNUYSHAV-INIZCTEOSA-N 1 0 403.545 -0.268 20 0 HBADRO CC(C)[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCCS1(=O)=O ZINC000545560983 1069179342 /nfs/dbraw/zinc/17/93/42/1069179342.db2.gz PZOUVCPNUYSHAV-MRXNPFEDSA-N 1 0 403.545 -0.268 20 0 HBADRO Cn1cnn(Cc2nc(-c3cccc(S(=O)(=O)NCCC[NH+](C)C)c3)no2)c1=O ZINC000545644145 1072099273 /nfs/dbraw/zinc/09/92/73/1072099273.db2.gz VNYYQPKUMWMJFL-UHFFFAOYSA-N 1 0 421.483 -0.090 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000545855771 1072111121 /nfs/dbraw/zinc/11/11/21/1072111121.db2.gz LDBRNBREGIKTLU-IBGZPJMESA-N 1 0 424.523 -0.018 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000545855772 1072111138 /nfs/dbraw/zinc/11/11/38/1072111138.db2.gz LDBRNBREGIKTLU-LJQANCHMSA-N 1 0 424.523 -0.018 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000545859951 1069543725 /nfs/dbraw/zinc/54/37/25/1069543725.db2.gz KZQVPUZHCABQFW-UHFFFAOYSA-N 1 0 414.576 -0.542 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545861715 1069544225 /nfs/dbraw/zinc/54/42/25/1069544225.db2.gz AVRZNNYXDWJJDV-PBHICJAKSA-N 1 0 400.501 -0.125 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000545863915 1072111445 /nfs/dbraw/zinc/11/14/45/1072111445.db2.gz QSVCONWZAJXGOO-JXFKEZNVSA-N 1 0 401.467 -0.281 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000545863916 1072111491 /nfs/dbraw/zinc/11/14/91/1072111491.db2.gz QSVCONWZAJXGOO-OXJNMPFZSA-N 1 0 401.467 -0.281 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000545863917 1072111550 /nfs/dbraw/zinc/11/15/50/1072111550.db2.gz QSVCONWZAJXGOO-OXQOHEQNSA-N 1 0 401.467 -0.281 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000545863918 1072111473 /nfs/dbraw/zinc/11/14/73/1072111473.db2.gz QSVCONWZAJXGOO-UZLBHIALSA-N 1 0 401.467 -0.281 20 0 HBADRO CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545881268 1072111989 /nfs/dbraw/zinc/11/19/89/1072111989.db2.gz WBYMJFZMXBTWEC-SFHVURJKSA-N 1 0 412.512 -0.114 20 0 HBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)nn1 ZINC000545882129 1072112008 /nfs/dbraw/zinc/11/20/08/1072112008.db2.gz WYVOIDVWGQLEQN-CYBMUJFWSA-N 1 0 418.458 -0.375 20 0 HBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)nn1 ZINC000545882130 1072111981 /nfs/dbraw/zinc/11/19/81/1072111981.db2.gz WYVOIDVWGQLEQN-ZDUSSCGKSA-N 1 0 418.458 -0.375 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)C1 ZINC000545882264 1072112057 /nfs/dbraw/zinc/11/20/57/1072112057.db2.gz KHOIRLZSXRUHOS-FQEVSTJZSA-N 1 0 400.435 -0.186 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)C1 ZINC000545882265 1072112016 /nfs/dbraw/zinc/11/20/16/1072112016.db2.gz KHOIRLZSXRUHOS-HXUWFJFHSA-N 1 0 400.435 -0.186 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000545882339 1072112023 /nfs/dbraw/zinc/11/20/23/1072112023.db2.gz NTJRZGMQSPOUAA-GOSISDBHSA-N 1 0 413.496 -0.301 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000545882340 1072111930 /nfs/dbraw/zinc/11/19/30/1072111930.db2.gz NTJRZGMQSPOUAA-SFHVURJKSA-N 1 0 413.496 -0.301 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000545882544 1072112065 /nfs/dbraw/zinc/11/20/65/1072112065.db2.gz ZTXQWOANAIPPBW-KRWDZBQOSA-N 1 0 414.459 -0.612 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000545882545 1072112000 /nfs/dbraw/zinc/11/20/00/1072112000.db2.gz ZTXQWOANAIPPBW-QGZVFWFLSA-N 1 0 414.459 -0.612 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000545946814 1072114688 /nfs/dbraw/zinc/11/46/88/1072114688.db2.gz SRQRDDHTHWLVFQ-KRWDZBQOSA-N 1 0 421.523 -0.029 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000545946816 1072114652 /nfs/dbraw/zinc/11/46/52/1072114652.db2.gz SRQRDDHTHWLVFQ-QGZVFWFLSA-N 1 0 421.523 -0.029 20 0 HBADRO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000545978116 1072115615 /nfs/dbraw/zinc/11/56/15/1072115615.db2.gz YJFFNGQXSIYPPL-KRWDZBQOSA-N 1 0 401.467 -0.010 20 0 HBADRO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000545978117 1072115530 /nfs/dbraw/zinc/11/55/30/1072115530.db2.gz YJFFNGQXSIYPPL-QGZVFWFLSA-N 1 0 401.467 -0.010 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000545986904 1069873253 /nfs/dbraw/zinc/87/32/53/1069873253.db2.gz MGQFZHLQSPEGOQ-UHFFFAOYSA-N 1 0 418.541 -0.813 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000546054292 1072119913 /nfs/dbraw/zinc/11/99/13/1072119913.db2.gz GXNWSAPSCADNGF-UHFFFAOYSA-N 1 0 413.496 -0.131 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000546054358 1072119705 /nfs/dbraw/zinc/11/97/05/1072119705.db2.gz IAKWRPCBRPNDCF-UHFFFAOYSA-N 1 0 423.499 -0.927 20 0 HBADRO COCn1nc(C)c(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1C ZINC000546057089 1070065028 /nfs/dbraw/zinc/06/50/28/1070065028.db2.gz ZAMZNSYSTAWLCH-UHFFFAOYSA-N 1 0 417.532 -0.485 20 0 HBADRO CCOc1ccc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cn1 ZINC000546057844 1072119885 /nfs/dbraw/zinc/11/98/85/1072119885.db2.gz GUXSGLWETXEUOF-UHFFFAOYSA-N 1 0 400.501 -0.109 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000546058061 1070066627 /nfs/dbraw/zinc/06/66/27/1070066627.db2.gz IBBHDQWFWKRCBP-UHFFFAOYSA-N 1 0 413.496 -0.116 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1csnc1C(=O)OC ZINC000546058377 1070066772 /nfs/dbraw/zinc/06/67/72/1070066772.db2.gz UQCLJQPEPUETCO-UHFFFAOYSA-N 1 0 420.513 -0.659 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000546058508 1072119776 /nfs/dbraw/zinc/11/97/76/1072119776.db2.gz SZJDBYZBSYONRM-UHFFFAOYSA-N 1 0 419.525 -0.054 20 0 HBADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000546105513 1072123027 /nfs/dbraw/zinc/12/30/27/1072123027.db2.gz WWTJEFKGPFUQGU-UHFFFAOYSA-N 1 0 407.452 -0.014 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546109747 1072123314 /nfs/dbraw/zinc/12/33/14/1072123314.db2.gz QKMDSDKIDKUQNH-HNNXBMFYSA-N 1 0 416.486 -0.676 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546109748 1072123412 /nfs/dbraw/zinc/12/34/12/1072123412.db2.gz QKMDSDKIDKUQNH-OAHLLOKOSA-N 1 0 416.486 -0.676 20 0 HBADRO Cn1ccc(CCNc2nc(N3CCOCC3)nc(NCCc3ccn(C)n3)[nH+]2)n1 ZINC000546182024 1072127319 /nfs/dbraw/zinc/12/73/19/1072127319.db2.gz XYSUBQICGVQCDV-UHFFFAOYSA-N 1 0 412.502 -0.672 20 0 HBADRO Cn1cc(-n2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)ccc2=O)cn1 ZINC000546202841 1072129655 /nfs/dbraw/zinc/12/96/55/1072129655.db2.gz JZGKXWTUXMDSGP-UHFFFAOYSA-N 1 0 412.454 -0.302 20 0 HBADRO Cn1cnn(Cc2nc(-c3ccc(S(=O)(=O)NCCC[NH+](C)C)cc3)no2)c1=O ZINC000546349350 1072135337 /nfs/dbraw/zinc/13/53/37/1072135337.db2.gz SMERLMSMEXPIQH-UHFFFAOYSA-N 1 0 421.483 -0.090 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000546571275 1069586559 /nfs/dbraw/zinc/58/65/59/1069586559.db2.gz KWEZAFIFIIGPPS-UHFFFAOYSA-N 1 0 417.514 0.387 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000546572414 1071384949 /nfs/dbraw/zinc/38/49/49/1071384949.db2.gz HKCMWRCZFJWZRX-INIZCTEOSA-N 1 0 403.526 -0.184 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000546572415 1071385121 /nfs/dbraw/zinc/38/51/21/1071385121.db2.gz HKCMWRCZFJWZRX-MRXNPFEDSA-N 1 0 403.526 -0.184 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000546696793 1069222725 /nfs/dbraw/zinc/22/27/25/1069222725.db2.gz JISAGAKNQGNZLJ-UHFFFAOYSA-N 1 0 412.512 -0.875 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000546763480 1069621759 /nfs/dbraw/zinc/62/17/59/1069621759.db2.gz OQSIRVNKBKQFDW-HOTGVXAUSA-N 1 0 419.544 -0.230 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000546763481 1069621703 /nfs/dbraw/zinc/62/17/03/1069621703.db2.gz OQSIRVNKBKQFDW-HZPDHXFCSA-N 1 0 419.544 -0.230 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000546763482 1069621727 /nfs/dbraw/zinc/62/17/27/1069621727.db2.gz OQSIRVNKBKQFDW-JKSUJKDBSA-N 1 0 419.544 -0.230 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000546767845 1069647825 /nfs/dbraw/zinc/64/78/25/1069647825.db2.gz YOYPSWZYVNFWPS-UHFFFAOYSA-N 1 0 402.473 -0.788 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCC1 ZINC000546794703 1069543834 /nfs/dbraw/zinc/54/38/34/1069543834.db2.gz BSOBIVIKIFOZMZ-UHFFFAOYSA-N 1 0 406.531 0.392 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000547295385 1069556067 /nfs/dbraw/zinc/55/60/67/1069556067.db2.gz ZFXPSHJJPCIHNF-INIZCTEOSA-N 1 0 412.372 0.407 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000547295386 1069555977 /nfs/dbraw/zinc/55/59/77/1069555977.db2.gz ZFXPSHJJPCIHNF-MRXNPFEDSA-N 1 0 412.372 0.407 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000547749712 1068272680 /nfs/dbraw/zinc/27/26/80/1068272680.db2.gz ASWPXJJEGUHZQG-HNNXBMFYSA-N 1 0 403.487 -0.515 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000547749713 1068272985 /nfs/dbraw/zinc/27/29/85/1068272985.db2.gz ASWPXJJEGUHZQG-OAHLLOKOSA-N 1 0 403.487 -0.515 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000547754505 1068273821 /nfs/dbraw/zinc/27/38/21/1068273821.db2.gz XBSFVYIAOQBZPW-UHFFFAOYSA-N 1 0 408.528 -0.015 20 0 HBADRO COc1cc(NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nn1C ZINC000547803419 1068295126 /nfs/dbraw/zinc/29/51/26/1068295126.db2.gz DOXDJVRSXWRONA-UHFFFAOYSA-N 1 0 402.455 -0.025 20 0 HBADRO Cn1nc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1OC(F)F ZINC000548000616 1069544338 /nfs/dbraw/zinc/54/43/38/1069544338.db2.gz UNCHIHTVZJRLFY-UHFFFAOYSA-N 1 0 400.390 0.540 20 0 HBADRO Cn1c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548112258 1068411250 /nfs/dbraw/zinc/41/12/50/1068411250.db2.gz ZXVIZKBZGMOTNG-UHFFFAOYSA-N 1 0 404.515 -0.278 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000548185363 1068495019 /nfs/dbraw/zinc/49/50/19/1068495019.db2.gz IYRWFFAQNABBDQ-AWEZNQCLSA-N 1 0 415.560 -0.170 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000548185364 1068495900 /nfs/dbraw/zinc/49/59/00/1068495900.db2.gz IYRWFFAQNABBDQ-CQSZACIVSA-N 1 0 415.560 -0.170 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000548425729 1068568071 /nfs/dbraw/zinc/56/80/71/1068568071.db2.gz MNJSKOHXBZGPCF-HNNXBMFYSA-N 1 0 401.529 -0.217 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000548425730 1068568827 /nfs/dbraw/zinc/56/88/27/1068568827.db2.gz MNJSKOHXBZGPCF-OAHLLOKOSA-N 1 0 401.529 -0.217 20 0 HBADRO O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000548733671 1068683674 /nfs/dbraw/zinc/68/36/74/1068683674.db2.gz RXCHTIXVIBEBPA-KRWDZBQOSA-N 1 0 411.524 -0.007 20 0 HBADRO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000548733672 1068683537 /nfs/dbraw/zinc/68/35/37/1068683537.db2.gz RXCHTIXVIBEBPA-QGZVFWFLSA-N 1 0 411.524 -0.007 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548742339 1068703483 /nfs/dbraw/zinc/70/34/83/1068703483.db2.gz ZKKNHCZIBZFDOZ-UHFFFAOYSA-N 1 0 408.528 -0.063 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCC1 ZINC000548756210 1068719724 /nfs/dbraw/zinc/71/97/24/1068719724.db2.gz YHFHLGIOYAUUEG-UHFFFAOYSA-N 1 0 410.515 -0.545 20 0 HBADRO Cn1c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548818152 1068846320 /nfs/dbraw/zinc/84/63/20/1068846320.db2.gz KRGPQIJAZUPBBQ-AWEZNQCLSA-N 1 0 403.483 -0.240 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000548833973 1068887313 /nfs/dbraw/zinc/88/73/13/1068887313.db2.gz MHACYVBGRCUBNU-HNNXBMFYSA-N 1 0 404.533 -0.352 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000548833974 1068887465 /nfs/dbraw/zinc/88/74/65/1068887465.db2.gz MHACYVBGRCUBNU-OAHLLOKOSA-N 1 0 404.533 -0.352 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000548873134 1068923601 /nfs/dbraw/zinc/92/36/01/1068923601.db2.gz XZGPIVXGDZSWMO-INIZCTEOSA-N 1 0 401.467 -0.202 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000548873135 1068923692 /nfs/dbraw/zinc/92/36/92/1068923692.db2.gz XZGPIVXGDZSWMO-MRXNPFEDSA-N 1 0 401.467 -0.202 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000548957760 1068959541 /nfs/dbraw/zinc/95/95/41/1068959541.db2.gz SAGXMGSDFHYHOE-MSOLQXFVSA-N 1 0 407.577 -0.046 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000548957761 1068959635 /nfs/dbraw/zinc/95/96/35/1068959635.db2.gz SAGXMGSDFHYHOE-QZTJIDSGSA-N 1 0 407.577 -0.046 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000548957762 1068959698 /nfs/dbraw/zinc/95/96/98/1068959698.db2.gz SAGXMGSDFHYHOE-ROUUACIJSA-N 1 0 407.577 -0.046 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000548957763 1068959578 /nfs/dbraw/zinc/95/95/78/1068959578.db2.gz SAGXMGSDFHYHOE-ZWKOTPCHSA-N 1 0 407.577 -0.046 20 0 HBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000548964149 1068968006 /nfs/dbraw/zinc/96/80/06/1068968006.db2.gz KEKPFOQXWPJFKJ-UHFFFAOYSA-N 1 0 419.525 -0.507 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000548985420 1068974500 /nfs/dbraw/zinc/97/45/00/1068974500.db2.gz RRKPWGFXBLSNFN-INIZCTEOSA-N 1 0 407.533 -0.766 20 0 HBADRO COCCOCCOCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000548985425 1068974866 /nfs/dbraw/zinc/97/48/66/1068974866.db2.gz RRKPWGFXBLSNFN-MRXNPFEDSA-N 1 0 407.533 -0.766 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000549077211 1069012619 /nfs/dbraw/zinc/01/26/19/1069012619.db2.gz VCGNDEQHQWDHGR-KRWDZBQOSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000549077212 1069012734 /nfs/dbraw/zinc/01/27/34/1069012734.db2.gz VCGNDEQHQWDHGR-QGZVFWFLSA-N 1 0 416.588 -0.041 20 0 HBADRO CC(C)[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000549163889 1069031006 /nfs/dbraw/zinc/03/10/06/1069031006.db2.gz FHWKQPASUSKJTG-IBGZPJMESA-N 1 0 405.547 -0.039 20 0 HBADRO CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000549163890 1069030925 /nfs/dbraw/zinc/03/09/25/1069030925.db2.gz FHWKQPASUSKJTG-LJQANCHMSA-N 1 0 405.547 -0.039 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)ccc2oc1=O ZINC000549242134 1069040591 /nfs/dbraw/zinc/04/05/91/1069040591.db2.gz RJORLINBQNNVLK-UHFFFAOYSA-N 1 0 408.440 -0.361 20 0 HBADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4COC[C@H](C3)O4)c2)CC1 ZINC000549337060 1069056746 /nfs/dbraw/zinc/05/67/46/1069056746.db2.gz HEZBANOSOIBGQZ-HDICACEKSA-N 1 0 416.478 -0.051 20 0 HBADRO CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000549436257 1069081819 /nfs/dbraw/zinc/08/18/19/1069081819.db2.gz RGMYRCYVRNOSOZ-AWEZNQCLSA-N 1 0 415.564 -0.101 20 0 HBADRO CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000549436260 1069081934 /nfs/dbraw/zinc/08/19/34/1069081934.db2.gz RGMYRCYVRNOSOZ-CQSZACIVSA-N 1 0 415.564 -0.101 20 0 HBADRO O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000549526507 1069204434 /nfs/dbraw/zinc/20/44/34/1069204434.db2.gz HEGXHMGTJZUULN-AWEZNQCLSA-N 1 0 412.487 -0.226 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000549526508 1069204959 /nfs/dbraw/zinc/20/49/59/1069204959.db2.gz HEGXHMGTJZUULN-CQSZACIVSA-N 1 0 412.487 -0.226 20 0 HBADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000549526672 1069204975 /nfs/dbraw/zinc/20/49/75/1069204975.db2.gz MOEVNVARBOXHNP-UHFFFAOYSA-N 1 0 412.512 -0.113 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000549527671 1069205741 /nfs/dbraw/zinc/20/57/41/1069205741.db2.gz XRBVRAFNDXWHLE-AWEZNQCLSA-N 1 0 413.500 -0.760 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000549527675 1069205625 /nfs/dbraw/zinc/20/56/25/1069205625.db2.gz XRBVRAFNDXWHLE-CQSZACIVSA-N 1 0 413.500 -0.760 20 0 HBADRO O=C(CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CC[NH2+]CC1 ZINC000549528893 1069207407 /nfs/dbraw/zinc/20/74/07/1069207407.db2.gz ZXTUFXFAUASOJD-HNNXBMFYSA-N 1 0 410.496 -0.695 20 0 HBADRO O=C(CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CC[NH2+]CC1 ZINC000549528894 1069207492 /nfs/dbraw/zinc/20/74/92/1069207492.db2.gz ZXTUFXFAUASOJD-OAHLLOKOSA-N 1 0 410.496 -0.695 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000549577165 1069225843 /nfs/dbraw/zinc/22/58/43/1069225843.db2.gz JKROXPFRXQIUJS-UHFFFAOYSA-N 1 0 418.498 -0.605 20 0 HBADRO CCNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(C)C ZINC000549786971 1069372118 /nfs/dbraw/zinc/37/21/18/1069372118.db2.gz QYBZMYGKDUNQDA-INIZCTEOSA-N 1 0 402.503 -0.238 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000549796691 1069372672 /nfs/dbraw/zinc/37/26/72/1069372672.db2.gz JTZKXOLWSOFBEN-DOTOQJQBSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000549796692 1069372742 /nfs/dbraw/zinc/37/27/42/1069372742.db2.gz JTZKXOLWSOFBEN-NVXWUHKLSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000549796693 1069372554 /nfs/dbraw/zinc/37/25/54/1069372554.db2.gz JTZKXOLWSOFBEN-RDJZCZTQSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000549796694 1069372540 /nfs/dbraw/zinc/37/25/40/1069372540.db2.gz JTZKXOLWSOFBEN-WBVHZDCISA-N 1 0 405.499 -0.552 20 0 HBADRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000549800228 1069374297 /nfs/dbraw/zinc/37/42/97/1069374297.db2.gz PJXKKOYJJIBOHP-INMHGKMJSA-N 1 0 403.545 -0.069 20 0 HBADRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000549800229 1069374083 /nfs/dbraw/zinc/37/40/83/1069374083.db2.gz PJXKKOYJJIBOHP-UXLLHSPISA-N 1 0 403.545 -0.069 20 0 HBADRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000549800230 1069374175 /nfs/dbraw/zinc/37/41/75/1069374175.db2.gz PJXKKOYJJIBOHP-VYDXJSESSA-N 1 0 403.545 -0.069 20 0 HBADRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000549800231 1069374279 /nfs/dbraw/zinc/37/42/79/1069374279.db2.gz PJXKKOYJJIBOHP-ZOBUZTSGSA-N 1 0 403.545 -0.069 20 0 HBADRO Cc1cc(C)c(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(=O)[nH]1 ZINC000549809569 1069374901 /nfs/dbraw/zinc/37/49/01/1069374901.db2.gz AOSBJFJQYWNSDR-INIZCTEOSA-N 1 0 403.483 -0.215 20 0 HBADRO Cc1cc(C)c(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(=O)[nH]1 ZINC000549809583 1069374786 /nfs/dbraw/zinc/37/47/86/1069374786.db2.gz AOSBJFJQYWNSDR-MRXNPFEDSA-N 1 0 403.483 -0.215 20 0 HBADRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840607 1069380248 /nfs/dbraw/zinc/38/02/48/1069380248.db2.gz LGHPAFRABFVCCP-NRFANRHFSA-N 1 0 407.559 -0.593 20 0 HBADRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840608 1069379983 /nfs/dbraw/zinc/37/99/83/1069379983.db2.gz LGHPAFRABFVCCP-OAQYLSRUSA-N 1 0 407.559 -0.593 20 0 HBADRO CCOCCS(=O)(=O)NCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549851317 1069382872 /nfs/dbraw/zinc/38/28/72/1069382872.db2.gz FOKYWNFXPYTVTG-SJPCQFCGSA-N 1 0 402.561 -0.288 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000549874200 1069407674 /nfs/dbraw/zinc/40/76/74/1069407674.db2.gz DVJCIIZOOUJCCL-UHFFFAOYSA-N 1 0 407.515 -0.639 20 0 HBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000549882926 1069425409 /nfs/dbraw/zinc/42/54/09/1069425409.db2.gz LVWCJFUQVSUENL-UHFFFAOYSA-N 1 0 409.575 -0.299 20 0 HBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)CC1 ZINC000549895617 1069456300 /nfs/dbraw/zinc/45/63/00/1069456300.db2.gz UNPOGXZGAJHFMT-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCC(=O)N1CC[NH2+]CC1 ZINC000549903111 1069461584 /nfs/dbraw/zinc/46/15/84/1069461584.db2.gz BVOBIZLSCWQKSN-UHFFFAOYSA-N 1 0 411.256 -0.278 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000549916959 1069481328 /nfs/dbraw/zinc/48/13/28/1069481328.db2.gz ATHRZGFNDSVVHO-GASCZTMLSA-N 1 0 424.523 -0.354 20 0 HBADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000549916960 1069481388 /nfs/dbraw/zinc/48/13/88/1069481388.db2.gz ATHRZGFNDSVVHO-GJZGRUSLSA-N 1 0 424.523 -0.354 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000549916961 1069481312 /nfs/dbraw/zinc/48/13/12/1069481312.db2.gz ATHRZGFNDSVVHO-HUUCEWRRSA-N 1 0 424.523 -0.354 20 0 HBADRO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000549917077 1069481495 /nfs/dbraw/zinc/48/14/95/1069481495.db2.gz DENJQLRZMMXNCY-UHFFFAOYSA-N 1 0 424.523 -0.812 20 0 HBADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549917393 1069481348 /nfs/dbraw/zinc/48/13/48/1069481348.db2.gz KUIOCZTZXGVFED-HNNXBMFYSA-N 1 0 414.553 -0.365 20 0 HBADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549917397 1069481480 /nfs/dbraw/zinc/48/14/80/1069481480.db2.gz KUIOCZTZXGVFED-OAHLLOKOSA-N 1 0 414.553 -0.365 20 0 HBADRO COc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1S(=O)(=O)N1CCCC1 ZINC000549917461 1069481412 /nfs/dbraw/zinc/48/14/12/1069481412.db2.gz LWSVJDBNWIGPJF-UHFFFAOYSA-N 1 0 410.496 -0.359 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000549917892 1069481291 /nfs/dbraw/zinc/48/12/91/1069481291.db2.gz WVZKUNKVEZIWMO-GASCZTMLSA-N 1 0 424.523 -0.354 20 0 HBADRO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000549917893 1069481339 /nfs/dbraw/zinc/48/13/39/1069481339.db2.gz WVZKUNKVEZIWMO-GJZGRUSLSA-N 1 0 424.523 -0.354 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)N3CC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000549917894 1069481365 /nfs/dbraw/zinc/48/13/65/1069481365.db2.gz WVZKUNKVEZIWMO-HUUCEWRRSA-N 1 0 424.523 -0.354 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC000549918141 1069482011 /nfs/dbraw/zinc/48/20/11/1069482011.db2.gz FVBCPQBPODADQC-UHFFFAOYSA-N 1 0 402.499 -0.422 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000549926413 1069483080 /nfs/dbraw/zinc/48/30/80/1069483080.db2.gz GGMONGYNYXTHLQ-UHFFFAOYSA-N 1 0 414.532 -0.981 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000549933659 1069502263 /nfs/dbraw/zinc/50/22/63/1069502263.db2.gz XIDXPVITVAUQNP-FQEVSTJZSA-N 1 0 418.538 -0.081 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000549933660 1069502351 /nfs/dbraw/zinc/50/23/51/1069502351.db2.gz XIDXPVITVAUQNP-HXUWFJFHSA-N 1 0 418.538 -0.081 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC2)no1 ZINC000549963615 1069693961 /nfs/dbraw/zinc/69/39/61/1069693961.db2.gz GKRFVVPYUSOLIN-UHFFFAOYSA-N 1 0 422.530 0.301 20 0 HBADRO CC(C)(CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000549964272 1069704973 /nfs/dbraw/zinc/70/49/73/1069704973.db2.gz MVSNOEQSYUSGKL-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCCCC1 ZINC000549966605 1069714020 /nfs/dbraw/zinc/71/40/20/1069714020.db2.gz ZQMAILUDSUXZKC-UHFFFAOYSA-N 1 0 407.515 -0.684 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC(C)(C)N3CCOCC3)ccn2)CC1 ZINC000549976691 1069900962 /nfs/dbraw/zinc/90/09/62/1069900962.db2.gz HOGGMOAOAARRMF-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000549977553 1069925045 /nfs/dbraw/zinc/92/50/45/1069925045.db2.gz PKQKPYQKGWLDIT-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000549977554 1069925130 /nfs/dbraw/zinc/92/51/30/1069925130.db2.gz PKQKPYQKGWLDIT-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000549978281 1069954770 /nfs/dbraw/zinc/95/47/70/1069954770.db2.gz AUEJIALXXARNSL-UHFFFAOYSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000549979340 1069971695 /nfs/dbraw/zinc/97/16/95/1069971695.db2.gz LAOWBTOSEQZBOR-UHFFFAOYSA-N 1 0 404.533 -0.904 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000549980074 1069976610 /nfs/dbraw/zinc/97/66/10/1069976610.db2.gz KNADCRACDCQCEO-UHFFFAOYSA-N 1 0 405.499 -0.034 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000549989107 1070057927 /nfs/dbraw/zinc/05/79/27/1070057927.db2.gz ZKYZVBFJPOCZRE-JOCHJYFZSA-N 1 0 416.522 -0.062 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000549989108 1070057865 /nfs/dbraw/zinc/05/78/65/1070057865.db2.gz ZKYZVBFJPOCZRE-QFIPXVFZSA-N 1 0 416.522 -0.062 20 0 HBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000549990877 1070060726 /nfs/dbraw/zinc/06/07/26/1070060726.db2.gz GKBWODRPSXMYOU-CALCHBBNSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000549990887 1070060750 /nfs/dbraw/zinc/06/07/50/1070060750.db2.gz GKBWODRPSXMYOU-IAGOWNOFSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000549990888 1070060432 /nfs/dbraw/zinc/06/04/32/1070060432.db2.gz GKBWODRPSXMYOU-IRXDYDNUSA-N 1 0 407.559 -0.155 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000549991926 1070064449 /nfs/dbraw/zinc/06/44/49/1070064449.db2.gz YVCRSZBNVWZISS-UHFFFAOYSA-N 1 0 417.514 -0.828 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000549993313 1070074664 /nfs/dbraw/zinc/07/46/64/1070074664.db2.gz IGXZLMRUPUWYNP-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000549994103 1070083301 /nfs/dbraw/zinc/08/33/01/1070083301.db2.gz VVOGANVQPPGGSP-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000549994137 1070082986 /nfs/dbraw/zinc/08/29/86/1070082986.db2.gz XAWBIORXYVUOTP-UHFFFAOYSA-N 1 0 419.501 -0.090 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000549996692 1070091934 /nfs/dbraw/zinc/09/19/34/1070091934.db2.gz ZGAYVIAMXSXBJO-KRWDZBQOSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000549996693 1070092084 /nfs/dbraw/zinc/09/20/84/1070092084.db2.gz ZGAYVIAMXSXBJO-QGZVFWFLSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000550002770 1070143766 /nfs/dbraw/zinc/14/37/66/1070143766.db2.gz VFIJWUICZAIQAQ-MOPGFXCFSA-N 1 0 404.511 -0.160 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000550002771 1070143970 /nfs/dbraw/zinc/14/39/70/1070143970.db2.gz VFIJWUICZAIQAQ-OALUTQOASA-N 1 0 404.511 -0.160 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000550002772 1070143889 /nfs/dbraw/zinc/14/38/89/1070143889.db2.gz VFIJWUICZAIQAQ-RBUKOAKNSA-N 1 0 404.511 -0.160 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000550002773 1070143635 /nfs/dbraw/zinc/14/36/35/1070143635.db2.gz VFIJWUICZAIQAQ-RTBURBONSA-N 1 0 404.511 -0.160 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550010490 1070212685 /nfs/dbraw/zinc/21/26/85/1070212685.db2.gz CQOCGBQTONTCSQ-KRWDZBQOSA-N 1 0 408.524 -0.129 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550010502 1070212571 /nfs/dbraw/zinc/21/25/71/1070212571.db2.gz CQOCGBQTONTCSQ-QGZVFWFLSA-N 1 0 408.524 -0.129 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550017102 1070275968 /nfs/dbraw/zinc/27/59/68/1070275968.db2.gz KAVRXESEIVUZGR-KRWDZBQOSA-N 1 0 401.511 -0.215 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550017103 1070276236 /nfs/dbraw/zinc/27/62/36/1070276236.db2.gz KAVRXESEIVUZGR-QGZVFWFLSA-N 1 0 401.511 -0.215 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550017804 1070268895 /nfs/dbraw/zinc/26/88/95/1070268895.db2.gz RUQMPDICPFOZKM-DLBZAZTESA-N 1 0 408.524 -0.083 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550017805 1070269182 /nfs/dbraw/zinc/26/91/82/1070269182.db2.gz RUQMPDICPFOZKM-IAGOWNOFSA-N 1 0 408.524 -0.083 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550017806 1070269067 /nfs/dbraw/zinc/26/90/67/1070269067.db2.gz RUQMPDICPFOZKM-IRXDYDNUSA-N 1 0 408.524 -0.083 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550017807 1070268823 /nfs/dbraw/zinc/26/88/23/1070268823.db2.gz RUQMPDICPFOZKM-SJORKVTESA-N 1 0 408.524 -0.083 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550018121 1070287691 /nfs/dbraw/zinc/28/76/91/1070287691.db2.gz VMYXUUBSJQXLCD-GOSISDBHSA-N 1 0 401.511 -0.343 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000550018122 1070287812 /nfs/dbraw/zinc/28/78/12/1070287812.db2.gz VMYXUUBSJQXLCD-SFHVURJKSA-N 1 0 401.511 -0.343 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)cn1 ZINC000550018770 1070280585 /nfs/dbraw/zinc/28/05/85/1070280585.db2.gz YWZSLYWPPWMTBR-KRWDZBQOSA-N 1 0 410.478 -0.014 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)cn1 ZINC000550018771 1070280670 /nfs/dbraw/zinc/28/06/70/1070280670.db2.gz YWZSLYWPPWMTBR-QGZVFWFLSA-N 1 0 410.478 -0.014 20 0 HBADRO CN(CCN1CCOCC1)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029638 1070366497 /nfs/dbraw/zinc/36/64/97/1070366497.db2.gz SPPGAVRLUPZLNT-UHFFFAOYSA-N 1 0 417.554 -0.289 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029842 1070363569 /nfs/dbraw/zinc/36/35/69/1070363569.db2.gz AQBPQZFXQFBLTK-MOPGFXCFSA-N 1 0 415.538 -0.049 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029843 1070363214 /nfs/dbraw/zinc/36/32/14/1070363214.db2.gz AQBPQZFXQFBLTK-OALUTQOASA-N 1 0 415.538 -0.049 20 0 HBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029845 1070363417 /nfs/dbraw/zinc/36/34/17/1070363417.db2.gz AQBPQZFXQFBLTK-RBUKOAKNSA-N 1 0 415.538 -0.049 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029847 1070363111 /nfs/dbraw/zinc/36/31/11/1070363111.db2.gz AQBPQZFXQFBLTK-RTBURBONSA-N 1 0 415.538 -0.049 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029870 1070363454 /nfs/dbraw/zinc/36/34/54/1070363454.db2.gz BIDYEQUUFHHILM-IBGZPJMESA-N 1 0 417.554 -0.243 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029875 1070363146 /nfs/dbraw/zinc/36/31/46/1070363146.db2.gz BIDYEQUUFHHILM-LJQANCHMSA-N 1 0 417.554 -0.243 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550030405 1070374366 /nfs/dbraw/zinc/37/43/66/1070374366.db2.gz HUGKERYLFROUFW-KRWDZBQOSA-N 1 0 406.483 -0.269 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550030406 1070374229 /nfs/dbraw/zinc/37/42/29/1070374229.db2.gz HUGKERYLFROUFW-QGZVFWFLSA-N 1 0 406.483 -0.269 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000550031690 1070374949 /nfs/dbraw/zinc/37/49/49/1070374949.db2.gz WWJOZKOKPIPODO-IBGZPJMESA-N 1 0 404.511 -0.206 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000550031691 1070374593 /nfs/dbraw/zinc/37/45/93/1070374593.db2.gz WWJOZKOKPIPODO-LJQANCHMSA-N 1 0 404.511 -0.206 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000550031793 1070374983 /nfs/dbraw/zinc/37/49/83/1070374983.db2.gz ADJNXDAPCKKXCU-UHFFFAOYSA-N 1 0 400.487 -0.388 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000550032013 1070375355 /nfs/dbraw/zinc/37/53/55/1070375355.db2.gz YZKNVOCOHNYVEW-UHFFFAOYSA-N 1 0 401.511 -0.389 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000550032321 1070375671 /nfs/dbraw/zinc/37/56/71/1070375671.db2.gz KNYHUYUOSMEHNF-DLBZAZTESA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000550032322 1070375803 /nfs/dbraw/zinc/37/58/03/1070375803.db2.gz KNYHUYUOSMEHNF-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000550032323 1070376014 /nfs/dbraw/zinc/37/60/14/1070376014.db2.gz KNYHUYUOSMEHNF-IRXDYDNUSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000550032324 1070375920 /nfs/dbraw/zinc/37/59/20/1070375920.db2.gz KNYHUYUOSMEHNF-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550033702 1070374518 /nfs/dbraw/zinc/37/45/18/1070374518.db2.gz GJTPGMRGBMCVKC-IBGZPJMESA-N 1 0 417.554 -0.102 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550033703 1070374890 /nfs/dbraw/zinc/37/48/90/1070374890.db2.gz GJTPGMRGBMCVKC-LJQANCHMSA-N 1 0 417.554 -0.102 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550033913 1070375633 /nfs/dbraw/zinc/37/56/33/1070375633.db2.gz IKSCBIHAYKCRII-UHFFFAOYSA-N 1 0 403.531 -0.295 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000550034722 1070375977 /nfs/dbraw/zinc/37/59/77/1070375977.db2.gz FESCPZNGOKDDKJ-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000550034723 1070374738 /nfs/dbraw/zinc/37/47/38/1070374738.db2.gz FESCPZNGOKDDKJ-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000550045928 1070377887 /nfs/dbraw/zinc/37/78/87/1070377887.db2.gz MNOFUCKKAIADDS-MSOLQXFVSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000550045937 1070378153 /nfs/dbraw/zinc/37/81/53/1070378153.db2.gz MNOFUCKKAIADDS-QZTJIDSGSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000550045940 1070378118 /nfs/dbraw/zinc/37/81/18/1070378118.db2.gz MNOFUCKKAIADDS-ROUUACIJSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000550045941 1070377970 /nfs/dbraw/zinc/37/79/70/1070377970.db2.gz MNOFUCKKAIADDS-ZWKOTPCHSA-N 1 0 418.494 -0.078 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000550046294 1070378037 /nfs/dbraw/zinc/37/80/37/1070378037.db2.gz ZLULLCSGQVBBRF-UHFFFAOYSA-N 1 0 416.526 -0.163 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)[C@H]2C1 ZINC000550060620 1070379433 /nfs/dbraw/zinc/37/94/33/1070379433.db2.gz NNKANYJWNFEHGF-CABCVRRESA-N 1 0 405.499 -0.090 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)[C@H]2C1 ZINC000550060621 1070379597 /nfs/dbraw/zinc/37/95/97/1070379597.db2.gz NNKANYJWNFEHGF-GJZGRUSLSA-N 1 0 405.499 -0.090 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000550060622 1070379761 /nfs/dbraw/zinc/37/97/61/1070379761.db2.gz NNKANYJWNFEHGF-HUUCEWRRSA-N 1 0 405.499 -0.090 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000550060623 1070379543 /nfs/dbraw/zinc/37/95/43/1070379543.db2.gz NNKANYJWNFEHGF-LSDHHAIUSA-N 1 0 405.499 -0.090 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C3CCOCC3)C2)cn1 ZINC000550066632 1070380295 /nfs/dbraw/zinc/38/02/95/1070380295.db2.gz KANSWEOZXGLZPF-INIZCTEOSA-N 1 0 420.514 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C3CCOCC3)C2)cn1 ZINC000550066633 1070380068 /nfs/dbraw/zinc/38/00/68/1070380068.db2.gz KANSWEOZXGLZPF-MRXNPFEDSA-N 1 0 420.514 -0.226 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000550094066 1070384747 /nfs/dbraw/zinc/38/47/47/1070384747.db2.gz AXUDCHVKDJCCHB-KRWDZBQOSA-N 1 0 411.547 -0.872 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000550094067 1070385100 /nfs/dbraw/zinc/38/51/00/1070385100.db2.gz AXUDCHVKDJCCHB-QGZVFWFLSA-N 1 0 411.547 -0.872 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000550094797 1070384877 /nfs/dbraw/zinc/38/48/77/1070384877.db2.gz DOSJZIQZMRQZDR-CVEARBPZSA-N 1 0 406.487 -0.885 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000550094814 1070385250 /nfs/dbraw/zinc/38/52/50/1070385250.db2.gz DOSJZIQZMRQZDR-HOTGVXAUSA-N 1 0 406.487 -0.885 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000550094815 1070384523 /nfs/dbraw/zinc/38/45/23/1070384523.db2.gz DOSJZIQZMRQZDR-HZPDHXFCSA-N 1 0 406.487 -0.885 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000550094817 1070384955 /nfs/dbraw/zinc/38/49/55/1070384955.db2.gz DOSJZIQZMRQZDR-JKSUJKDBSA-N 1 0 406.487 -0.885 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000550096695 1070386534 /nfs/dbraw/zinc/38/65/34/1070386534.db2.gz LOFATPGZFMAPCD-CVEARBPZSA-N 1 0 418.560 -0.753 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000550096700 1070386754 /nfs/dbraw/zinc/38/67/54/1070386754.db2.gz LOFATPGZFMAPCD-HOTGVXAUSA-N 1 0 418.560 -0.753 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000550096702 1070386663 /nfs/dbraw/zinc/38/66/63/1070386663.db2.gz LOFATPGZFMAPCD-HZPDHXFCSA-N 1 0 418.560 -0.753 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000550096703 1070386856 /nfs/dbraw/zinc/38/68/56/1070386856.db2.gz LOFATPGZFMAPCD-JKSUJKDBSA-N 1 0 418.560 -0.753 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550104248 1070389232 /nfs/dbraw/zinc/38/92/32/1070389232.db2.gz MTCPDRYRZSMKHU-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000550108804 1070388781 /nfs/dbraw/zinc/38/87/81/1070388781.db2.gz LPFJVOHOZFJMGZ-IBGZPJMESA-N 1 0 403.527 -0.503 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000550108807 1070388944 /nfs/dbraw/zinc/38/89/44/1070388944.db2.gz LPFJVOHOZFJMGZ-LJQANCHMSA-N 1 0 403.527 -0.503 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000550113904 1070390152 /nfs/dbraw/zinc/39/01/52/1070390152.db2.gz FDFLTDXDQVETBD-UHFFFAOYSA-N 1 0 401.511 -0.213 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550116366 1070390079 /nfs/dbraw/zinc/39/00/79/1070390079.db2.gz RCZKPJWXWUAKMH-UHFFFAOYSA-N 1 0 403.527 -0.013 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000550130352 1069599219 /nfs/dbraw/zinc/59/92/19/1069599219.db2.gz XXMLQPVDPVZJSX-UHFFFAOYSA-N 1 0 420.514 0.056 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000550132208 1070391021 /nfs/dbraw/zinc/39/10/21/1070391021.db2.gz CVFLOZUEXFGIIR-IBGZPJMESA-N 1 0 403.527 -0.503 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000550132211 1070391109 /nfs/dbraw/zinc/39/11/09/1070391109.db2.gz CVFLOZUEXFGIIR-LJQANCHMSA-N 1 0 403.527 -0.503 20 0 HBADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000550132880 1070391796 /nfs/dbraw/zinc/39/17/96/1070391796.db2.gz LENWVLYVJPGHLW-UHFFFAOYSA-N 1 0 423.539 -0.093 20 0 HBADRO C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)NCC[NH+]1CCCCC1 ZINC000550134125 1070392415 /nfs/dbraw/zinc/39/24/15/1070392415.db2.gz VOOQGSITOJHLCC-CYBMUJFWSA-N 1 0 416.482 -0.647 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000550138505 1070393403 /nfs/dbraw/zinc/39/34/03/1070393403.db2.gz AHTMJVBRBWWGKM-UHFFFAOYSA-N 1 0 420.601 -0.281 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000550141935 1070393681 /nfs/dbraw/zinc/39/36/81/1070393681.db2.gz OSLAJSIKTABTHF-MOPGFXCFSA-N 1 0 411.524 -0.098 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000550141936 1070393510 /nfs/dbraw/zinc/39/35/10/1070393510.db2.gz OSLAJSIKTABTHF-OALUTQOASA-N 1 0 411.524 -0.098 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000550141937 1070393296 /nfs/dbraw/zinc/39/32/96/1070393296.db2.gz OSLAJSIKTABTHF-RBUKOAKNSA-N 1 0 411.524 -0.098 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000550141938 1070393621 /nfs/dbraw/zinc/39/36/21/1070393621.db2.gz OSLAJSIKTABTHF-RTBURBONSA-N 1 0 411.524 -0.098 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550146258 1070394503 /nfs/dbraw/zinc/39/45/03/1070394503.db2.gz BYPIUXYMCSAQLH-UHFFFAOYSA-N 1 0 403.531 -0.295 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)CC1 ZINC000550150962 1070395244 /nfs/dbraw/zinc/39/52/44/1070395244.db2.gz OEZCZKNCZIKSMG-UHFFFAOYSA-N 1 0 408.503 -0.149 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)CC1 ZINC000550153183 1070395633 /nfs/dbraw/zinc/39/56/33/1070395633.db2.gz WGICBCPPXMJQCI-AWEZNQCLSA-N 1 0 404.496 -0.223 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)CC1 ZINC000550153184 1070395557 /nfs/dbraw/zinc/39/55/57/1070395557.db2.gz WGICBCPPXMJQCI-CQSZACIVSA-N 1 0 404.496 -0.223 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000550153983 1070395465 /nfs/dbraw/zinc/39/54/65/1070395465.db2.gz DGPBJDZMYWGPPM-UHFFFAOYSA-N 1 0 416.500 -0.422 20 0 HBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000550167591 1070396782 /nfs/dbraw/zinc/39/67/82/1070396782.db2.gz VZUUHOQAGPEYIT-CRAIPNDOSA-N 1 0 420.510 -0.408 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000550167593 1070396676 /nfs/dbraw/zinc/39/66/76/1070396676.db2.gz VZUUHOQAGPEYIT-MAUKXSAKSA-N 1 0 420.510 -0.408 20 0 HBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000550167594 1070396656 /nfs/dbraw/zinc/39/66/56/1070396656.db2.gz VZUUHOQAGPEYIT-QAPCUYQASA-N 1 0 420.510 -0.408 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000550167595 1070396937 /nfs/dbraw/zinc/39/69/37/1070396937.db2.gz VZUUHOQAGPEYIT-YJBOKZPZSA-N 1 0 420.510 -0.408 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000550169376 1070397078 /nfs/dbraw/zinc/39/70/78/1070397078.db2.gz XCCXPFKWKXCWHC-INIZCTEOSA-N 1 0 407.515 -0.839 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000550169377 1070397334 /nfs/dbraw/zinc/39/73/34/1070397334.db2.gz XCCXPFKWKXCWHC-MRXNPFEDSA-N 1 0 407.515 -0.839 20 0 HBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000550170583 1070397483 /nfs/dbraw/zinc/39/74/83/1070397483.db2.gz CMLIDXQXHBDCML-PMACEKPBSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000550170584 1070397529 /nfs/dbraw/zinc/39/75/29/1070397529.db2.gz CMLIDXQXHBDCML-UXHICEINSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000550170585 1070397883 /nfs/dbraw/zinc/39/78/83/1070397883.db2.gz CMLIDXQXHBDCML-VQTJNVASSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000550170586 1070398094 /nfs/dbraw/zinc/39/80/94/1070398094.db2.gz CMLIDXQXHBDCML-WOJBJXKFSA-N 1 0 417.554 -0.153 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000550184779 1070399402 /nfs/dbraw/zinc/39/94/02/1070399402.db2.gz HIBQJTFADOJIRD-GOSISDBHSA-N 1 0 406.531 -0.030 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000550184782 1070399693 /nfs/dbraw/zinc/39/96/93/1070399693.db2.gz HIBQJTFADOJIRD-SFHVURJKSA-N 1 0 406.531 -0.030 20 0 HBADRO Cc1cc(C)c(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)[nH]1 ZINC000550185785 1070400756 /nfs/dbraw/zinc/40/07/56/1070400756.db2.gz ZAPDRWHIUHPTGM-UHFFFAOYSA-N 1 0 403.483 -0.213 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550191512 1070399985 /nfs/dbraw/zinc/39/99/85/1070399985.db2.gz MKQLNMZXMGEZJQ-KRWDZBQOSA-N 1 0 405.499 -0.239 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550191513 1070400191 /nfs/dbraw/zinc/40/01/91/1070400191.db2.gz MKQLNMZXMGEZJQ-QGZVFWFLSA-N 1 0 405.499 -0.239 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000550192475 1070399891 /nfs/dbraw/zinc/39/98/91/1070399891.db2.gz GAVXGYNFQJMNOT-GOSISDBHSA-N 1 0 407.559 -0.155 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000550192476 1070400688 /nfs/dbraw/zinc/40/06/88/1070400688.db2.gz GAVXGYNFQJMNOT-SFHVURJKSA-N 1 0 407.559 -0.155 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2ccccn21 ZINC000550194848 1070402150 /nfs/dbraw/zinc/40/21/50/1070402150.db2.gz ONESOYXCQBQSRA-AWEZNQCLSA-N 1 0 401.471 -0.596 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2ccccn21 ZINC000550194849 1070402444 /nfs/dbraw/zinc/40/24/44/1070402444.db2.gz ONESOYXCQBQSRA-CQSZACIVSA-N 1 0 401.471 -0.596 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1(C)C ZINC000550208961 1070405041 /nfs/dbraw/zinc/40/50/41/1070405041.db2.gz MLCBFHOPHXSICC-UHFFFAOYSA-N 1 0 405.547 -0.195 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000550223011 1070407278 /nfs/dbraw/zinc/40/72/78/1070407278.db2.gz QUXCPUYCUIGXQS-IPELMVKDSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000550223012 1070407217 /nfs/dbraw/zinc/40/72/17/1070407217.db2.gz QUXCPUYCUIGXQS-KFKAGJAMSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000550223013 1070407413 /nfs/dbraw/zinc/40/74/13/1070407413.db2.gz QUXCPUYCUIGXQS-SNRMKQJTSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000550223014 1070407365 /nfs/dbraw/zinc/40/73/65/1070407365.db2.gz QUXCPUYCUIGXQS-ZYSHUDEJSA-N 1 0 405.495 -0.132 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]2C1 ZINC000550225753 1070408088 /nfs/dbraw/zinc/40/80/88/1070408088.db2.gz OTXFHQACWQMSLM-DLBZAZTESA-N 1 0 404.577 -0.042 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000550234586 1070409073 /nfs/dbraw/zinc/40/90/73/1070409073.db2.gz NISGJPAYTNJIBX-UHFFFAOYSA-N 1 0 402.451 -0.202 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC(C)(C)[NH2+]1 ZINC000550266101 1070414821 /nfs/dbraw/zinc/41/48/21/1070414821.db2.gz QPUSEFCNVQAXCC-UHFFFAOYSA-N 1 0 420.601 -0.093 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000550275452 1070418514 /nfs/dbraw/zinc/41/85/14/1070418514.db2.gz DSROUKBJECABSC-MSOLQXFVSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000550275453 1070417354 /nfs/dbraw/zinc/41/73/54/1070417354.db2.gz DSROUKBJECABSC-QZTJIDSGSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000550275454 1070417413 /nfs/dbraw/zinc/41/74/13/1070417413.db2.gz DSROUKBJECABSC-ROUUACIJSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000550275455 1070417582 /nfs/dbraw/zinc/41/75/82/1070417582.db2.gz DSROUKBJECABSC-ZWKOTPCHSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000550276858 1070418261 /nfs/dbraw/zinc/41/82/61/1070418261.db2.gz JCOSEAODNJBUAX-IBGZPJMESA-N 1 0 411.591 -0.056 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000550276859 1070418547 /nfs/dbraw/zinc/41/85/47/1070418547.db2.gz JCOSEAODNJBUAX-LJQANCHMSA-N 1 0 411.591 -0.056 20 0 HBADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)NCCCn3ccnc3)C2)no1 ZINC000550276867 1070418356 /nfs/dbraw/zinc/41/83/56/1070418356.db2.gz ZKXVEXFAXFDGCL-HNNXBMFYSA-N 1 0 417.470 -0.016 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)N1CCOCC1 ZINC000550276959 1070418446 /nfs/dbraw/zinc/41/84/46/1070418446.db2.gz JMMPSMMRTAWXPY-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)N1CCOCC1 ZINC000550276960 1070418373 /nfs/dbraw/zinc/41/83/73/1070418373.db2.gz JMMPSMMRTAWXPY-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)N1CCOCC1 ZINC000550276994 1070418411 /nfs/dbraw/zinc/41/84/11/1070418411.db2.gz KZIWIOMLVZEASY-DLBZAZTESA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)N1CCOCC1 ZINC000550276995 1070418572 /nfs/dbraw/zinc/41/85/72/1070418572.db2.gz KZIWIOMLVZEASY-IAGOWNOFSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)N1CCOCC1 ZINC000550276996 1070418482 /nfs/dbraw/zinc/41/84/82/1070418482.db2.gz KZIWIOMLVZEASY-IRXDYDNUSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)N1CCOCC1 ZINC000550276998 1070418600 /nfs/dbraw/zinc/41/86/00/1070418600.db2.gz KZIWIOMLVZEASY-SJORKVTESA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CCOCC1 ZINC000550277141 1070418389 /nfs/dbraw/zinc/41/83/89/1070418389.db2.gz QVMMUIQHBMPLAV-CVEARBPZSA-N 1 0 420.514 -0.495 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CCOCC1 ZINC000550277142 1070418302 /nfs/dbraw/zinc/41/83/02/1070418302.db2.gz QVMMUIQHBMPLAV-HOTGVXAUSA-N 1 0 420.514 -0.495 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CCOCC1 ZINC000550277144 1070418461 /nfs/dbraw/zinc/41/84/61/1070418461.db2.gz QVMMUIQHBMPLAV-HZPDHXFCSA-N 1 0 420.514 -0.495 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CCOCC1 ZINC000550277145 1070418321 /nfs/dbraw/zinc/41/83/21/1070418321.db2.gz QVMMUIQHBMPLAV-JKSUJKDBSA-N 1 0 420.514 -0.495 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000550284012 1070466852 /nfs/dbraw/zinc/46/68/52/1070466852.db2.gz KBISQDNYTXQXRZ-UHFFFAOYSA-N 1 0 404.515 -0.335 20 0 HBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292601 1070519399 /nfs/dbraw/zinc/51/93/99/1070519399.db2.gz VSLYIYSBYDCNSZ-HNNXBMFYSA-N 1 0 404.515 -0.129 20 0 HBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292602 1070519536 /nfs/dbraw/zinc/51/95/36/1070519536.db2.gz VSLYIYSBYDCNSZ-OAHLLOKOSA-N 1 0 404.515 -0.129 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550292615 1070519462 /nfs/dbraw/zinc/51/94/62/1070519462.db2.gz WDTOTZMPJJTFIL-UHFFFAOYSA-N 1 0 418.542 -0.370 20 0 HBADRO CN(C)c1nccc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000550293233 1070515040 /nfs/dbraw/zinc/51/50/40/1070515040.db2.gz KIAZOQIFVHGQFE-UHFFFAOYSA-N 1 0 412.498 -0.378 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550293429 1070526115 /nfs/dbraw/zinc/52/61/15/1070526115.db2.gz LSTHJIBCKNHQJX-DLBZAZTESA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550293430 1070526062 /nfs/dbraw/zinc/52/60/62/1070526062.db2.gz LSTHJIBCKNHQJX-IAGOWNOFSA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550293431 1070525831 /nfs/dbraw/zinc/52/58/31/1070525831.db2.gz LSTHJIBCKNHQJX-IRXDYDNUSA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550293432 1070525938 /nfs/dbraw/zinc/52/59/38/1070525938.db2.gz LSTHJIBCKNHQJX-SJORKVTESA-N 1 0 405.499 -0.240 20 0 HBADRO CN(CCN1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550293809 1070523321 /nfs/dbraw/zinc/52/33/21/1070523321.db2.gz SDLOBFACAZGPBW-UHFFFAOYSA-N 1 0 404.515 -0.760 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000550294181 1070520403 /nfs/dbraw/zinc/52/04/03/1070520403.db2.gz BTDAHBBDORMGKS-DOTOQJQBSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H](C)O1 ZINC000550294182 1070520504 /nfs/dbraw/zinc/52/05/04/1070520504.db2.gz BTDAHBBDORMGKS-NVXWUHKLSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000550294183 1070520606 /nfs/dbraw/zinc/52/06/06/1070520606.db2.gz BTDAHBBDORMGKS-RDJZCZTQSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H](C)O1 ZINC000550294184 1070520631 /nfs/dbraw/zinc/52/06/31/1070520631.db2.gz BTDAHBBDORMGKS-WBVHZDCISA-N 1 0 405.499 -0.288 20 0 HBADRO CCCN1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000550294270 1070527037 /nfs/dbraw/zinc/52/70/37/1070527037.db2.gz BVNIXLLVRDLLLP-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550294297 1070528109 /nfs/dbraw/zinc/52/81/09/1070528109.db2.gz DCMIELLTZGKJNJ-DOTOQJQBSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550294298 1070527683 /nfs/dbraw/zinc/52/76/83/1070527683.db2.gz DCMIELLTZGKJNJ-NVXWUHKLSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550294299 1070527811 /nfs/dbraw/zinc/52/78/11/1070527811.db2.gz DCMIELLTZGKJNJ-RDJZCZTQSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550294300 1070527950 /nfs/dbraw/zinc/52/79/50/1070527950.db2.gz DCMIELLTZGKJNJ-WBVHZDCISA-N 1 0 405.499 -0.240 20 0 HBADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550294362 1070527643 /nfs/dbraw/zinc/52/76/43/1070527643.db2.gz FXCMHNUSDRTPBQ-GOSISDBHSA-N 1 0 416.526 -0.176 20 0 HBADRO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550294363 1070527838 /nfs/dbraw/zinc/52/78/38/1070527838.db2.gz FXCMHNUSDRTPBQ-SFHVURJKSA-N 1 0 416.526 -0.176 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CCOC(C)(C)C3)cn2)CC1 ZINC000550294616 1070527915 /nfs/dbraw/zinc/52/79/15/1070527915.db2.gz MMBHLTOGIAXTBS-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CCOCC3(C)C)cn2)CC1 ZINC000550294791 1070527980 /nfs/dbraw/zinc/52/79/80/1070527980.db2.gz ODPKQDWQNPNINA-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cccnn4)CC3)cn2)CC1 ZINC000550294908 1070527346 /nfs/dbraw/zinc/52/73/46/1070527346.db2.gz QERFJUKZCFGRLO-UHFFFAOYSA-N 1 0 424.509 -0.412 20 0 HBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550294930 1070527322 /nfs/dbraw/zinc/52/73/22/1070527322.db2.gz RDRMMMKGROVBFR-FQEVSTJZSA-N 1 0 403.483 -0.139 20 0 HBADRO COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550294931 1070527179 /nfs/dbraw/zinc/52/71/79/1070527179.db2.gz RDRMMMKGROVBFR-HXUWFJFHSA-N 1 0 403.483 -0.139 20 0 HBADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295174 1070527107 /nfs/dbraw/zinc/52/71/07/1070527107.db2.gz SUNSISZDGJOUOE-INIZCTEOSA-N 1 0 412.498 -0.058 20 0 HBADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295175 1070527267 /nfs/dbraw/zinc/52/72/67/1070527267.db2.gz SUNSISZDGJOUOE-MRXNPFEDSA-N 1 0 412.498 -0.058 20 0 HBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295438 1070527620 /nfs/dbraw/zinc/52/76/20/1070527620.db2.gz XJEKNUGGVHLJQJ-UHFFFAOYSA-N 1 0 405.503 -0.821 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCN3CCCC3=O)ccn2)CC1 ZINC000550303191 1070528572 /nfs/dbraw/zinc/52/85/72/1070528572.db2.gz RDLXHHVUYGKWLP-UHFFFAOYSA-N 1 0 402.499 -0.422 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550310003 1070529991 /nfs/dbraw/zinc/52/99/91/1070529991.db2.gz LLXRRRODOREIQP-UHFFFAOYSA-N 1 0 415.542 -0.152 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000550312427 1070555003 /nfs/dbraw/zinc/55/50/03/1070555003.db2.gz GWDOTWGXYCCWMO-HNNXBMFYSA-N 1 0 406.549 -0.657 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000550312428 1070554880 /nfs/dbraw/zinc/55/48/80/1070554880.db2.gz GWDOTWGXYCCWMO-OAHLLOKOSA-N 1 0 406.549 -0.657 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000550312814 1070554380 /nfs/dbraw/zinc/55/43/80/1070554380.db2.gz QMVMPBOQCXHMNN-UHFFFAOYSA-N 1 0 404.515 -0.143 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550312845 1070551341 /nfs/dbraw/zinc/55/13/41/1070551341.db2.gz RSRYMCYQFAZQGL-UHFFFAOYSA-N 1 0 403.483 -0.667 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000550316960 1070559628 /nfs/dbraw/zinc/55/96/28/1070559628.db2.gz FNHVSJOAZFBPFB-UHFFFAOYSA-N 1 0 400.501 -0.753 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCCC3)CC2)c1=O ZINC000550321306 1070592461 /nfs/dbraw/zinc/59/24/61/1070592461.db2.gz NVQFRMUWDSLDDB-UHFFFAOYSA-N 1 0 404.515 -0.190 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550321924 1070588553 /nfs/dbraw/zinc/58/85/53/1070588553.db2.gz VWSOOQDPMAPJIU-INIZCTEOSA-N 1 0 421.542 -0.879 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550321926 1070589183 /nfs/dbraw/zinc/58/91/83/1070589183.db2.gz VWSOOQDPMAPJIU-MRXNPFEDSA-N 1 0 421.542 -0.879 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000550322849 1070594897 /nfs/dbraw/zinc/59/48/97/1070594897.db2.gz WJKBRKMHCGXIRV-KRWDZBQOSA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000550322850 1070594829 /nfs/dbraw/zinc/59/48/29/1070594829.db2.gz WJKBRKMHCGXIRV-QGZVFWFLSA-N 1 0 423.539 -0.056 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000550328647 1070614970 /nfs/dbraw/zinc/61/49/70/1070614970.db2.gz VYXNDCBDEDGOER-UHFFFAOYSA-N 1 0 404.515 -0.306 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)CC2)no1 ZINC000550333899 1069592718 /nfs/dbraw/zinc/59/27/18/1069592718.db2.gz FDZLBPXLLLKFKI-UHFFFAOYSA-N 1 0 418.498 -0.191 20 0 HBADRO CC(C)Nc1nc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nc(NCCO)[nH+]1 ZINC000550336000 1070617312 /nfs/dbraw/zinc/61/73/12/1070617312.db2.gz YZHMUWBTAHPZLQ-KRWDZBQOSA-N 1 0 419.505 -0.014 20 0 HBADRO CC(C)Nc1nc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc(NCCO)[nH+]1 ZINC000550336001 1070617459 /nfs/dbraw/zinc/61/74/59/1070617459.db2.gz YZHMUWBTAHPZLQ-QGZVFWFLSA-N 1 0 419.505 -0.014 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550338414 1070618131 /nfs/dbraw/zinc/61/81/31/1070618131.db2.gz WZUSGHQDCTUWGH-UHFFFAOYSA-N 1 0 404.558 -0.776 20 0 HBADRO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000550339928 1070618948 /nfs/dbraw/zinc/61/89/48/1070618948.db2.gz VUNVBNDMXHUADX-KRWDZBQOSA-N 1 0 414.510 -0.475 20 0 HBADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000550339929 1070619081 /nfs/dbraw/zinc/61/90/81/1070619081.db2.gz VUNVBNDMXHUADX-QGZVFWFLSA-N 1 0 414.510 -0.475 20 0 HBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000550343882 1070619722 /nfs/dbraw/zinc/61/97/22/1070619722.db2.gz YWURQWUNXNSEFH-INIZCTEOSA-N 1 0 405.499 -0.235 20 0 HBADRO CN(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000550343888 1070619689 /nfs/dbraw/zinc/61/96/89/1070619689.db2.gz YWURQWUNXNSEFH-MRXNPFEDSA-N 1 0 405.499 -0.235 20 0 HBADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000550348539 1070620494 /nfs/dbraw/zinc/62/04/94/1070620494.db2.gz JEFJOEVAQJXTNA-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000550350488 1070621314 /nfs/dbraw/zinc/62/13/14/1070621314.db2.gz ZEMPMZAPYOTVNP-UHFFFAOYSA-N 1 0 411.547 -0.776 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000550355743 1070622952 /nfs/dbraw/zinc/62/29/52/1070622952.db2.gz HEGXZYKZUZQLLC-GOSISDBHSA-N 1 0 424.567 -0.035 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000550355744 1070622897 /nfs/dbraw/zinc/62/28/97/1070622897.db2.gz HEGXZYKZUZQLLC-SFHVURJKSA-N 1 0 424.567 -0.035 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000550357391 1070622765 /nfs/dbraw/zinc/62/27/65/1070622765.db2.gz FBWIOMZFLGPPFN-UHFFFAOYSA-N 1 0 421.542 -0.484 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000550361738 1070626129 /nfs/dbraw/zinc/62/61/29/1070626129.db2.gz WNBBBNKLQUQVOH-UHFFFAOYSA-N 1 0 409.575 -0.301 20 0 HBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000550363020 1070623633 /nfs/dbraw/zinc/62/36/33/1070623633.db2.gz VEKKWCQSQBLIEX-DOTOQJQBSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000550363021 1070623717 /nfs/dbraw/zinc/62/37/17/1070623717.db2.gz VEKKWCQSQBLIEX-NVXWUHKLSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000550363022 1070623768 /nfs/dbraw/zinc/62/37/68/1070623768.db2.gz VEKKWCQSQBLIEX-RDJZCZTQSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000550363023 1070623682 /nfs/dbraw/zinc/62/36/82/1070623682.db2.gz VEKKWCQSQBLIEX-WBVHZDCISA-N 1 0 404.467 -0.339 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)N1CC[NH+](C)CC1 ZINC000550363529 1070624550 /nfs/dbraw/zinc/62/45/50/1070624550.db2.gz VLYSDRHQLLDQKI-KRWDZBQOSA-N 1 0 403.531 -0.487 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)N1CC[NH+](C)CC1 ZINC000550363530 1070624569 /nfs/dbraw/zinc/62/45/69/1070624569.db2.gz VLYSDRHQLLDQKI-QGZVFWFLSA-N 1 0 403.531 -0.487 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000550371614 1070626847 /nfs/dbraw/zinc/62/68/47/1070626847.db2.gz GWINYSIJLBGMMH-UHFFFAOYSA-N 1 0 406.508 -0.200 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000550371781 1070627017 /nfs/dbraw/zinc/62/70/17/1070627017.db2.gz KAVMKJBUFGIMHA-UHFFFAOYSA-N 1 0 402.904 -0.055 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000550372372 1070626836 /nfs/dbraw/zinc/62/68/36/1070626836.db2.gz HWTDUMAETJVIRW-KRWDZBQOSA-N 1 0 423.558 -0.633 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000550372373 1070627030 /nfs/dbraw/zinc/62/70/30/1070627030.db2.gz HWTDUMAETJVIRW-QGZVFWFLSA-N 1 0 423.558 -0.633 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000550374183 1070627623 /nfs/dbraw/zinc/62/76/23/1070627623.db2.gz JEJIGRVNKVNHII-GOSISDBHSA-N 1 0 417.558 -0.095 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000550374184 1070627662 /nfs/dbraw/zinc/62/76/62/1070627662.db2.gz JEJIGRVNKVNHII-SFHVURJKSA-N 1 0 417.558 -0.095 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)n1 ZINC000550377358 1070629310 /nfs/dbraw/zinc/62/93/10/1070629310.db2.gz STJZFYWNYRTBHO-UHFFFAOYSA-N 1 0 408.503 -0.149 20 0 HBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000550377883 1070629396 /nfs/dbraw/zinc/62/93/96/1070629396.db2.gz YTGBGZJQDPWDOO-UHFFFAOYSA-N 1 0 401.511 -0.099 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCCC1 ZINC000550378292 1070629229 /nfs/dbraw/zinc/62/92/29/1070629229.db2.gz RGAWRVSWLMUOBN-UHFFFAOYSA-N 1 0 402.499 -0.180 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCCC1 ZINC000550378408 1070630551 /nfs/dbraw/zinc/63/05/51/1070630551.db2.gz QQEYHNZBQJYHON-UHFFFAOYSA-N 1 0 403.531 -0.295 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CCO1 ZINC000550379172 1070629291 /nfs/dbraw/zinc/62/92/91/1070629291.db2.gz XMHFPNCWAOCNSA-PBHICJAKSA-N 1 0 422.482 -0.604 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CCO1 ZINC000550379173 1070630493 /nfs/dbraw/zinc/63/04/93/1070630493.db2.gz XMHFPNCWAOCNSA-RHSMWYFYSA-N 1 0 422.482 -0.604 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CCO1 ZINC000550379174 1070630455 /nfs/dbraw/zinc/63/04/55/1070630455.db2.gz XMHFPNCWAOCNSA-WMLDXEAASA-N 1 0 422.482 -0.604 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CCO1 ZINC000550379175 1070630307 /nfs/dbraw/zinc/63/03/07/1070630307.db2.gz XMHFPNCWAOCNSA-YOEHRIQHSA-N 1 0 422.482 -0.604 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550380848 1070630243 /nfs/dbraw/zinc/63/02/43/1070630243.db2.gz BFCXDGZRGGSDQU-KRWDZBQOSA-N 1 0 408.547 -0.005 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550380849 1070630506 /nfs/dbraw/zinc/63/05/06/1070630506.db2.gz BFCXDGZRGGSDQU-QGZVFWFLSA-N 1 0 408.547 -0.005 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C)CC1 ZINC000550380897 1070630321 /nfs/dbraw/zinc/63/03/21/1070630321.db2.gz CFOZPKPOHRMXTO-KRWDZBQOSA-N 1 0 419.526 -0.048 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](C)CC1 ZINC000550380898 1070630469 /nfs/dbraw/zinc/63/04/69/1070630469.db2.gz CFOZPKPOHRMXTO-QGZVFWFLSA-N 1 0 419.526 -0.048 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC000550381868 1070633026 /nfs/dbraw/zinc/63/30/26/1070633026.db2.gz OQJROLCNAXYWIQ-KRWDZBQOSA-N 1 0 411.547 -0.918 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC000550381870 1070632709 /nfs/dbraw/zinc/63/27/09/1070632709.db2.gz OQJROLCNAXYWIQ-QGZVFWFLSA-N 1 0 411.547 -0.918 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550382004 1070632041 /nfs/dbraw/zinc/63/20/41/1070632041.db2.gz PEIQWIOVJGZMKT-GOSISDBHSA-N 1 0 424.590 -0.957 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550382011 1070632970 /nfs/dbraw/zinc/63/29/70/1070632970.db2.gz PEIQWIOVJGZMKT-SFHVURJKSA-N 1 0 424.590 -0.957 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)N1CC[NH+](C)CC1 ZINC000550382362 1070633054 /nfs/dbraw/zinc/63/30/54/1070633054.db2.gz SGBWJNXUORBCAP-IBGZPJMESA-N 1 0 419.574 -0.548 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)N1CC[NH+](C)CC1 ZINC000550382363 1070632745 /nfs/dbraw/zinc/63/27/45/1070632745.db2.gz SGBWJNXUORBCAP-LJQANCHMSA-N 1 0 419.574 -0.548 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000550382558 1070633515 /nfs/dbraw/zinc/63/35/15/1070633515.db2.gz VRQCXMPTVSJDNL-MSOLQXFVSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000550382559 1070633799 /nfs/dbraw/zinc/63/37/99/1070633799.db2.gz VRQCXMPTVSJDNL-QZTJIDSGSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000550382560 1070633578 /nfs/dbraw/zinc/63/35/78/1070633578.db2.gz VRQCXMPTVSJDNL-ROUUACIJSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000550382561 1070633823 /nfs/dbraw/zinc/63/38/23/1070633823.db2.gz VRQCXMPTVSJDNL-ZWKOTPCHSA-N 1 0 423.558 -0.776 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000550382735 1070632916 /nfs/dbraw/zinc/63/29/16/1070632916.db2.gz XBCSXAKZFNCFOS-GOSISDBHSA-N 1 0 403.527 -0.168 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000550382736 1070633085 /nfs/dbraw/zinc/63/30/85/1070633085.db2.gz XBCSXAKZFNCFOS-SFHVURJKSA-N 1 0 403.527 -0.168 20 0 HBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)CC(C)C ZINC000550382757 1070632683 /nfs/dbraw/zinc/63/26/83/1070632683.db2.gz XNIJZUBVHSUTIJ-INIZCTEOSA-N 1 0 422.534 -0.783 20 0 HBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)CC(C)C ZINC000550382758 1070633044 /nfs/dbraw/zinc/63/30/44/1070633044.db2.gz XNIJZUBVHSUTIJ-MRXNPFEDSA-N 1 0 422.534 -0.783 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1)N1CC[NH+](C)CC1 ZINC000550383683 1070633734 /nfs/dbraw/zinc/63/37/34/1070633734.db2.gz PRNVMUBXLDFNRP-MSOLQXFVSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1)N1CC[NH+](C)CC1 ZINC000550383684 1070633691 /nfs/dbraw/zinc/63/36/91/1070633691.db2.gz PRNVMUBXLDFNRP-QZTJIDSGSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1)N1CC[NH+](C)CC1 ZINC000550383685 1070633851 /nfs/dbraw/zinc/63/38/51/1070633851.db2.gz PRNVMUBXLDFNRP-ROUUACIJSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1)N1CC[NH+](C)CC1 ZINC000550383686 1070633770 /nfs/dbraw/zinc/63/37/70/1070633770.db2.gz PRNVMUBXLDFNRP-ZWKOTPCHSA-N 1 0 407.559 -0.012 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000550385000 1070633865 /nfs/dbraw/zinc/63/38/65/1070633865.db2.gz FFWVUUBXHHXPAW-MOPGFXCFSA-N 1 0 421.517 -0.323 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000550385001 1070633652 /nfs/dbraw/zinc/63/36/52/1070633652.db2.gz FFWVUUBXHHXPAW-OALUTQOASA-N 1 0 421.517 -0.323 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000550385002 1070633545 /nfs/dbraw/zinc/63/35/45/1070633545.db2.gz FFWVUUBXHHXPAW-RBUKOAKNSA-N 1 0 421.517 -0.323 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000550385003 1070633810 /nfs/dbraw/zinc/63/38/10/1070633810.db2.gz FFWVUUBXHHXPAW-RTBURBONSA-N 1 0 421.517 -0.323 20 0 HBADRO CC(C)Nc1nc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)nc(NCCO)[nH+]1 ZINC000550386586 1070636476 /nfs/dbraw/zinc/63/64/76/1070636476.db2.gz CYYOOVXKUKKDSL-KRWDZBQOSA-N 1 0 419.505 -0.014 20 0 HBADRO CC(C)Nc1nc(NC[C@H](c2cccc(F)c2)N2CCOCC2)nc(NCCO)[nH+]1 ZINC000550386589 1070636407 /nfs/dbraw/zinc/63/64/07/1070636407.db2.gz CYYOOVXKUKKDSL-QGZVFWFLSA-N 1 0 419.505 -0.014 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000550395374 1070636429 /nfs/dbraw/zinc/63/64/29/1070636429.db2.gz ILALWBCBVJPBRR-IBGZPJMESA-N 1 0 413.522 -0.200 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000550395375 1070636319 /nfs/dbraw/zinc/63/63/19/1070636319.db2.gz ILALWBCBVJPBRR-LJQANCHMSA-N 1 0 413.522 -0.200 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398268 1070636547 /nfs/dbraw/zinc/63/65/47/1070636547.db2.gz CBRWNTDTTXZXJL-MOPGFXCFSA-N 1 0 404.511 -0.471 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398269 1070636365 /nfs/dbraw/zinc/63/63/65/1070636365.db2.gz CBRWNTDTTXZXJL-OALUTQOASA-N 1 0 404.511 -0.471 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398270 1070636337 /nfs/dbraw/zinc/63/63/37/1070636337.db2.gz CBRWNTDTTXZXJL-RBUKOAKNSA-N 1 0 404.511 -0.471 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398271 1070636595 /nfs/dbraw/zinc/63/65/95/1070636595.db2.gz CBRWNTDTTXZXJL-RTBURBONSA-N 1 0 404.511 -0.471 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000550402854 1070640282 /nfs/dbraw/zinc/64/02/82/1070640282.db2.gz IXLKPQXUBXAHHT-KRWDZBQOSA-N 1 0 422.551 -0.055 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000550402855 1070640403 /nfs/dbraw/zinc/64/04/03/1070640403.db2.gz IXLKPQXUBXAHHT-QGZVFWFLSA-N 1 0 422.551 -0.055 20 0 HBADRO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000550404255 1070641255 /nfs/dbraw/zinc/64/12/55/1070641255.db2.gz GOWGYMHGCYIEGG-NRFANRHFSA-N 1 0 401.511 -0.356 20 0 HBADRO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000550404257 1070641308 /nfs/dbraw/zinc/64/13/08/1070641308.db2.gz GOWGYMHGCYIEGG-OAQYLSRUSA-N 1 0 401.511 -0.356 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000550405236 1070642612 /nfs/dbraw/zinc/64/26/12/1070642612.db2.gz KXGONZJNDVBRAM-INIZCTEOSA-N 1 0 410.540 -0.530 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000550405238 1070642594 /nfs/dbraw/zinc/64/25/94/1070642594.db2.gz KXGONZJNDVBRAM-MRXNPFEDSA-N 1 0 410.540 -0.530 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC(=O)N1C ZINC000550405766 1070643275 /nfs/dbraw/zinc/64/32/75/1070643275.db2.gz OQJAKOIJBLEHMP-KRWDZBQOSA-N 1 0 401.511 -0.391 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC(=O)N1C ZINC000550405769 1070643963 /nfs/dbraw/zinc/64/39/63/1070643963.db2.gz OQJAKOIJBLEHMP-QGZVFWFLSA-N 1 0 401.511 -0.391 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000550406346 1070643242 /nfs/dbraw/zinc/64/32/42/1070643242.db2.gz SGYKSHMIQWJZAL-GOSISDBHSA-N 1 0 415.538 0.000 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000550406347 1070643308 /nfs/dbraw/zinc/64/33/08/1070643308.db2.gz SGYKSHMIQWJZAL-SFHVURJKSA-N 1 0 415.538 0.000 20 0 HBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000550406693 1070646394 /nfs/dbraw/zinc/64/63/94/1070646394.db2.gz AYIJEZDCIIQLCT-UHFFFAOYSA-N 1 0 411.510 -0.137 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000550406952 1070644806 /nfs/dbraw/zinc/64/48/06/1070644806.db2.gz VKIASEUNUKSYDI-CHWSQXEVSA-N 1 0 400.526 -0.109 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000550406954 1070644924 /nfs/dbraw/zinc/64/49/24/1070644924.db2.gz VKIASEUNUKSYDI-OLZOCXBDSA-N 1 0 400.526 -0.109 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000550406956 1070644790 /nfs/dbraw/zinc/64/47/90/1070644790.db2.gz VKIASEUNUKSYDI-QWHCGFSZSA-N 1 0 400.526 -0.109 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000550406958 1070645544 /nfs/dbraw/zinc/64/55/44/1070645544.db2.gz VKIASEUNUKSYDI-STQMWFEESA-N 1 0 400.526 -0.109 20 0 HBADRO CN1CCC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550407375 1070646413 /nfs/dbraw/zinc/64/64/13/1070646413.db2.gz GXYCPOXNWIWHTB-GOSISDBHSA-N 1 0 401.511 -0.343 20 0 HBADRO CN1CCC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550407376 1070646453 /nfs/dbraw/zinc/64/64/53/1070646453.db2.gz GXYCPOXNWIWHTB-SFHVURJKSA-N 1 0 401.511 -0.343 20 0 HBADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550408328 1070646433 /nfs/dbraw/zinc/64/64/33/1070646433.db2.gz NKBGNNSNLVJRIX-UHFFFAOYSA-N 1 0 403.527 -0.191 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)NCCNC(=O)c2cnccn2)[NH+](C)C)c1 ZINC000550409036 1070648824 /nfs/dbraw/zinc/64/88/24/1070648824.db2.gz YRNUEEWYRJDZCD-KRWDZBQOSA-N 1 0 414.466 -0.250 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)NCCNC(=O)c2cnccn2)[NH+](C)C)c1 ZINC000550409037 1070648692 /nfs/dbraw/zinc/64/86/92/1070648692.db2.gz YRNUEEWYRJDZCD-QGZVFWFLSA-N 1 0 414.466 -0.250 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550409122 1070648854 /nfs/dbraw/zinc/64/88/54/1070648854.db2.gz VEKORYQHRYKDED-GOSISDBHSA-N 1 0 419.526 -0.306 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550409123 1070648675 /nfs/dbraw/zinc/64/86/75/1070648675.db2.gz VEKORYQHRYKDED-SFHVURJKSA-N 1 0 419.526 -0.306 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000550409190 1070648013 /nfs/dbraw/zinc/64/80/13/1070648013.db2.gz WNBCFHATPMEODE-UHFFFAOYSA-N 1 0 413.522 -0.246 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550410072 1070649680 /nfs/dbraw/zinc/64/96/80/1070649680.db2.gz KVVQSCBCQZXFQS-IBGZPJMESA-N 1 0 417.554 -0.056 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550410073 1070649472 /nfs/dbraw/zinc/64/94/72/1070649472.db2.gz KVVQSCBCQZXFQS-LJQANCHMSA-N 1 0 417.554 -0.056 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000550410276 1070650337 /nfs/dbraw/zinc/65/03/37/1070650337.db2.gz RPDQVVFVUYPUIS-INIZCTEOSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 ZINC000550410277 1070650453 /nfs/dbraw/zinc/65/04/53/1070650453.db2.gz RPDQVVFVUYPUIS-MRXNPFEDSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000550411795 1070655277 /nfs/dbraw/zinc/65/52/77/1070655277.db2.gz DMDCONCWAVYDSM-UHFFFAOYSA-N 1 0 413.500 -0.751 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000550415330 1070656736 /nfs/dbraw/zinc/65/67/36/1070656736.db2.gz WGMLDFKZKAIPNW-UHFFFAOYSA-N 1 0 417.514 -0.768 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000550415626 1070660097 /nfs/dbraw/zinc/66/00/97/1070660097.db2.gz WPYVTSAGLDHOPP-INIZCTEOSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000550415628 1070660172 /nfs/dbraw/zinc/66/01/72/1070660172.db2.gz WPYVTSAGLDHOPP-MRXNPFEDSA-N 1 0 411.547 -0.728 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550416272 1070658616 /nfs/dbraw/zinc/65/86/16/1070658616.db2.gz ZRPQZPYSBVHODP-GOSISDBHSA-N 1 0 403.527 -0.444 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550416273 1070658500 /nfs/dbraw/zinc/65/85/00/1070658500.db2.gz ZRPQZPYSBVHODP-SFHVURJKSA-N 1 0 403.527 -0.444 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000550420644 1070675460 /nfs/dbraw/zinc/67/54/60/1070675460.db2.gz AHPCTUWILCUQES-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cnc3ccccc32)CC1 ZINC000550434491 1070707976 /nfs/dbraw/zinc/70/79/76/1070707976.db2.gz ZYYAZWXIRAQZRI-GOSISDBHSA-N 1 0 412.494 -0.083 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cnc3ccccc32)CC1 ZINC000550434492 1070708091 /nfs/dbraw/zinc/70/80/91/1070708091.db2.gz ZYYAZWXIRAQZRI-SFHVURJKSA-N 1 0 412.494 -0.083 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000550443435 1070719022 /nfs/dbraw/zinc/71/90/22/1070719022.db2.gz FAYKEKHJDFKGDM-INIZCTEOSA-N 1 0 420.514 -0.226 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000550443436 1070719065 /nfs/dbraw/zinc/71/90/65/1070719065.db2.gz FAYKEKHJDFKGDM-MRXNPFEDSA-N 1 0 420.514 -0.226 20 0 HBADRO Cn1cnc(NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1 ZINC000550443776 1069544990 /nfs/dbraw/zinc/54/49/90/1069544990.db2.gz UBZMQJMAVYFOGF-UHFFFAOYSA-N 1 0 401.471 0.043 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000550446523 1070748869 /nfs/dbraw/zinc/74/88/69/1070748869.db2.gz VAQIDCDGLUIUOS-UHFFFAOYSA-N 1 0 424.523 -0.466 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550454482 1070863528 /nfs/dbraw/zinc/86/35/28/1070863528.db2.gz AADIWSKCLHQSQW-BRWVUGGUSA-N 1 0 401.504 -0.604 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550454487 1070864287 /nfs/dbraw/zinc/86/42/87/1070864287.db2.gz AADIWSKCLHQSQW-GVDBMIGSSA-N 1 0 401.504 -0.604 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550454488 1070863453 /nfs/dbraw/zinc/86/34/53/1070863453.db2.gz AADIWSKCLHQSQW-IXDOHACOSA-N 1 0 401.504 -0.604 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550454489 1070864028 /nfs/dbraw/zinc/86/40/28/1070864028.db2.gz AADIWSKCLHQSQW-YESZJQIVSA-N 1 0 401.504 -0.604 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C1 ZINC000550456149 1070865884 /nfs/dbraw/zinc/86/58/84/1070865884.db2.gz ATGZQUPDMNMHRR-GOSISDBHSA-N 1 0 419.526 -0.328 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C1 ZINC000550456154 1070866005 /nfs/dbraw/zinc/86/60/05/1070866005.db2.gz ATGZQUPDMNMHRR-SFHVURJKSA-N 1 0 419.526 -0.328 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550457206 1070892550 /nfs/dbraw/zinc/89/25/50/1070892550.db2.gz ACBCWUNLHHXING-KSZLIROESA-N 1 0 415.531 -0.668 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550457207 1070893023 /nfs/dbraw/zinc/89/30/23/1070893023.db2.gz ACBCWUNLHHXING-KURKYZTESA-N 1 0 415.531 -0.668 20 0 HBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550457208 1070892811 /nfs/dbraw/zinc/89/28/11/1070892811.db2.gz ACBCWUNLHHXING-KZNAEPCWSA-N 1 0 415.531 -0.668 20 0 HBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550457209 1070892961 /nfs/dbraw/zinc/89/29/61/1070892961.db2.gz ACBCWUNLHHXING-RCCFBDPRSA-N 1 0 415.531 -0.668 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000550457644 1070903704 /nfs/dbraw/zinc/90/37/04/1070903704.db2.gz HJISZGYCBSQCBP-INIZCTEOSA-N 1 0 420.514 -0.393 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000550457645 1070903883 /nfs/dbraw/zinc/90/38/83/1070903883.db2.gz HJISZGYCBSQCBP-MRXNPFEDSA-N 1 0 420.514 -0.393 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000550458778 1070911715 /nfs/dbraw/zinc/91/17/15/1070911715.db2.gz REZUBQPJNHAWSK-KRWDZBQOSA-N 1 0 404.515 -0.093 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC000550458779 1070912050 /nfs/dbraw/zinc/91/20/50/1070912050.db2.gz REZUBQPJNHAWSK-QGZVFWFLSA-N 1 0 404.515 -0.093 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)C1 ZINC000550459048 1070909061 /nfs/dbraw/zinc/90/90/61/1070909061.db2.gz WFWRQSPMOMSKSI-KRWDZBQOSA-N 1 0 411.547 -0.872 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)C1 ZINC000550459049 1070908864 /nfs/dbraw/zinc/90/88/64/1070908864.db2.gz WFWRQSPMOMSKSI-QGZVFWFLSA-N 1 0 411.547 -0.872 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000550463773 1070973574 /nfs/dbraw/zinc/97/35/74/1070973574.db2.gz FQMCKDROSCDYCO-UHFFFAOYSA-N 1 0 415.516 -0.552 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000550465541 1070986223 /nfs/dbraw/zinc/98/62/23/1070986223.db2.gz LJUUJFVXDTXCIL-UHFFFAOYSA-N 1 0 421.546 -0.970 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550466364 1070990860 /nfs/dbraw/zinc/99/08/60/1070990860.db2.gz SKZLKPCCSVUCEQ-UHFFFAOYSA-N 1 0 424.590 -0.859 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000550467772 1071016666 /nfs/dbraw/zinc/01/66/66/1071016666.db2.gz VWBMPYUPTGUCSR-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCCCC1 ZINC000550468082 1071016375 /nfs/dbraw/zinc/01/63/75/1071016375.db2.gz BHEVLSJESPMTLB-UHFFFAOYSA-N 1 0 420.518 -0.885 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000550469432 1071018538 /nfs/dbraw/zinc/01/85/38/1071018538.db2.gz YNTBFBJLZYRYQJ-HNNXBMFYSA-N 1 0 404.533 -0.856 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000550469433 1071018876 /nfs/dbraw/zinc/01/88/76/1071018876.db2.gz YNTBFBJLZYRYQJ-OAHLLOKOSA-N 1 0 404.533 -0.856 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000550475105 1071021246 /nfs/dbraw/zinc/02/12/46/1071021246.db2.gz IGFKRWJMLFIEMT-UHFFFAOYSA-N 1 0 419.526 -0.349 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000550477302 1071022167 /nfs/dbraw/zinc/02/21/67/1071022167.db2.gz NSHRIZMIXIKOJQ-UHFFFAOYSA-N 1 0 416.478 -0.159 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)no1 ZINC000550479359 1071021990 /nfs/dbraw/zinc/02/19/90/1071021990.db2.gz HGKFVYZIONDSOM-UHFFFAOYSA-N 1 0 406.531 -0.231 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000550479549 1071022568 /nfs/dbraw/zinc/02/25/68/1071022568.db2.gz MDRYDUGNUVOVSZ-UHFFFAOYSA-N 1 0 402.543 -0.132 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550479567 1071023246 /nfs/dbraw/zinc/02/32/46/1071023246.db2.gz MSRRPPULTFAONQ-KRWDZBQOSA-N 1 0 424.590 -0.813 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550479568 1071023102 /nfs/dbraw/zinc/02/31/02/1071023102.db2.gz MSRRPPULTFAONQ-QGZVFWFLSA-N 1 0 424.590 -0.813 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000550480019 1071023184 /nfs/dbraw/zinc/02/31/84/1071023184.db2.gz XSMGGIBPUKUSSQ-UHFFFAOYSA-N 1 0 408.572 -0.071 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000550481816 1071024092 /nfs/dbraw/zinc/02/40/92/1071024092.db2.gz KJQSEAWJAQJDTI-UHFFFAOYSA-N 1 0 420.510 -0.003 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCOCC1 ZINC000550481970 1071023785 /nfs/dbraw/zinc/02/37/85/1071023785.db2.gz WROFFPJOYLBXRT-IBGZPJMESA-N 1 0 411.591 -0.008 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCOCC1 ZINC000550481971 1071023921 /nfs/dbraw/zinc/02/39/21/1071023921.db2.gz WROFFPJOYLBXRT-LJQANCHMSA-N 1 0 411.591 -0.008 20 0 HBADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550482112 1071024110 /nfs/dbraw/zinc/02/41/10/1071024110.db2.gz MHZKOZNPVCQVGT-UHFFFAOYSA-N 1 0 417.510 -0.327 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550483834 1071024626 /nfs/dbraw/zinc/02/46/26/1071024626.db2.gz VEHHZLMHIKJCLY-KRWDZBQOSA-N 1 0 405.547 -0.353 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550483835 1071024895 /nfs/dbraw/zinc/02/48/95/1071024895.db2.gz VEHHZLMHIKJCLY-QGZVFWFLSA-N 1 0 405.547 -0.353 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2=O)n1 ZINC000550485691 1071024730 /nfs/dbraw/zinc/02/47/30/1071024730.db2.gz AOVRLPRVYHRNKY-INIZCTEOSA-N 1 0 419.530 -0.826 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2=O)n1 ZINC000550485692 1071024820 /nfs/dbraw/zinc/02/48/20/1071024820.db2.gz AOVRLPRVYHRNKY-MRXNPFEDSA-N 1 0 419.530 -0.826 20 0 HBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)n1 ZINC000550486353 1071024678 /nfs/dbraw/zinc/02/46/78/1071024678.db2.gz NMIMESZLVXKKCS-UHFFFAOYSA-N 1 0 417.558 -0.116 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000550493209 1071026154 /nfs/dbraw/zinc/02/61/54/1071026154.db2.gz CYSQZSNKIYKZSU-UHFFFAOYSA-N 1 0 419.526 -0.349 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000550494836 1071057607 /nfs/dbraw/zinc/05/76/07/1071057607.db2.gz NTSFGPMBESIBTN-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550495992 1071057639 /nfs/dbraw/zinc/05/76/39/1071057639.db2.gz YHJHUOMETLIHIX-GOSISDBHSA-N 1 0 423.558 -0.630 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550495993 1071057528 /nfs/dbraw/zinc/05/75/28/1071057528.db2.gz YHJHUOMETLIHIX-SFHVURJKSA-N 1 0 423.558 -0.630 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCN3CCCCC3=O)ccn2)CC1 ZINC000550497981 1071059976 /nfs/dbraw/zinc/05/99/76/1071059976.db2.gz CFKLWTUDVKMIAU-UHFFFAOYSA-N 1 0 416.526 -0.032 20 0 HBADRO COCCN(C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCOC1 ZINC000550498024 1071060825 /nfs/dbraw/zinc/06/08/25/1071060825.db2.gz FGXHCEGFXQZHOT-KRWDZBQOSA-N 1 0 405.499 -0.287 20 0 HBADRO COCCN(C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCOC1 ZINC000550498025 1071060921 /nfs/dbraw/zinc/06/09/21/1071060921.db2.gz FGXHCEGFXQZHOT-QGZVFWFLSA-N 1 0 405.499 -0.287 20 0 HBADRO CCC(=O)N1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550498661 1071058217 /nfs/dbraw/zinc/05/82/17/1071058217.db2.gz LPJKVQRMUFVAHZ-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550499063 1071058112 /nfs/dbraw/zinc/05/81/12/1071058112.db2.gz ORLYNVJTTDPINI-UHFFFAOYSA-N 1 0 416.526 -0.224 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)ccn2)CC1 ZINC000550499987 1071058839 /nfs/dbraw/zinc/05/88/39/1071058839.db2.gz YWFRXVPVBFXEAU-UHFFFAOYSA-N 1 0 400.483 -0.717 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4ncccn4)CC3)ccn2)CC1 ZINC000550500021 1071058888 /nfs/dbraw/zinc/05/88/88/1071058888.db2.gz ZHWHTTAZXZPROO-UHFFFAOYSA-N 1 0 424.509 -0.412 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550500844 1071062949 /nfs/dbraw/zinc/06/29/49/1071062949.db2.gz GCEIHPKYLHKQSI-AWEZNQCLSA-N 1 0 403.483 -0.669 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550500845 1071063578 /nfs/dbraw/zinc/06/35/78/1071063578.db2.gz GCEIHPKYLHKQSI-CQSZACIVSA-N 1 0 403.483 -0.669 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550501244 1071062479 /nfs/dbraw/zinc/06/24/79/1071062479.db2.gz PHBDPKPGNQIWHT-UHFFFAOYSA-N 1 0 415.494 -0.571 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(C)C ZINC000550501384 1071061657 /nfs/dbraw/zinc/06/16/57/1071061657.db2.gz PSWDCSWMEIGIQV-UHFFFAOYSA-N 1 0 417.510 -0.279 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000550501438 1071061251 /nfs/dbraw/zinc/06/12/51/1071061251.db2.gz RUXZYSNSEMLQHN-UHFFFAOYSA-N 1 0 401.467 -0.915 20 0 HBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550501649 1071068441 /nfs/dbraw/zinc/06/84/41/1071068441.db2.gz XGYMOBIJQGHMFO-UHFFFAOYSA-N 1 0 415.494 -0.573 20 0 HBADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550501689 1071068629 /nfs/dbraw/zinc/06/86/29/1071068629.db2.gz XTGZBTJUXKUDPB-GOSISDBHSA-N 1 0 416.526 -0.176 20 0 HBADRO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550501690 1071068595 /nfs/dbraw/zinc/06/85/95/1071068595.db2.gz XTGZBTJUXKUDPB-SFHVURJKSA-N 1 0 416.526 -0.176 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550503009 1071069752 /nfs/dbraw/zinc/06/97/52/1071069752.db2.gz VVSNNSGNXAFPJP-UHFFFAOYSA-N 1 0 402.499 -0.179 20 0 HBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550504859 1071074145 /nfs/dbraw/zinc/07/41/45/1071074145.db2.gz BZCBHVKQJLIODV-UHFFFAOYSA-N 1 0 417.510 -0.325 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)ccn2)CC1 ZINC000550506807 1071076042 /nfs/dbraw/zinc/07/60/42/1071076042.db2.gz IZPFSLYIMRXAGW-DLBZAZTESA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)ccn2)CC1 ZINC000550506808 1071077040 /nfs/dbraw/zinc/07/70/40/1071077040.db2.gz IZPFSLYIMRXAGW-IAGOWNOFSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)ccn2)CC1 ZINC000550506809 1071076831 /nfs/dbraw/zinc/07/68/31/1071076831.db2.gz IZPFSLYIMRXAGW-IRXDYDNUSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)ccn2)CC1 ZINC000550506810 1071076893 /nfs/dbraw/zinc/07/68/93/1071076893.db2.gz IZPFSLYIMRXAGW-SJORKVTESA-N 1 0 414.510 -0.281 20 0 HBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CCO2 ZINC000550507016 1071076310 /nfs/dbraw/zinc/07/63/10/1071076310.db2.gz WDKJWASILBMZBK-HRAATJIYSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CCO2 ZINC000550507019 1071076227 /nfs/dbraw/zinc/07/62/27/1071076227.db2.gz WDKJWASILBMZBK-IERDGZPVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CCO2 ZINC000550507020 1071076440 /nfs/dbraw/zinc/07/64/40/1071076440.db2.gz WDKJWASILBMZBK-IIBYNOLFSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)CCO2 ZINC000550507021 1071076200 /nfs/dbraw/zinc/07/62/00/1071076200.db2.gz WDKJWASILBMZBK-KKSFZXQISA-N 1 0 417.510 -0.144 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000550508645 1071077342 /nfs/dbraw/zinc/07/73/42/1071077342.db2.gz CDNRSOBXYKCDFF-KRWDZBQOSA-N 1 0 410.515 -0.545 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000550508646 1071077472 /nfs/dbraw/zinc/07/74/72/1071077472.db2.gz CDNRSOBXYKCDFF-QGZVFWFLSA-N 1 0 410.515 -0.545 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCO[C@H]3CCOC3)ccn2)CC1 ZINC000550510500 1071079559 /nfs/dbraw/zinc/07/95/59/1071079559.db2.gz NBMJYDDBQPHGQM-KRWDZBQOSA-N 1 0 405.499 -0.239 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCO[C@@H]3CCOC3)ccn2)CC1 ZINC000550510501 1071079473 /nfs/dbraw/zinc/07/94/73/1071079473.db2.gz NBMJYDDBQPHGQM-QGZVFWFLSA-N 1 0 405.499 -0.239 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000550512916 1071080792 /nfs/dbraw/zinc/08/07/92/1071080792.db2.gz DCIWWIGGODPIGO-KRWDZBQOSA-N 1 0 406.458 -0.120 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000550512917 1071080663 /nfs/dbraw/zinc/08/06/63/1071080663.db2.gz DCIWWIGGODPIGO-QGZVFWFLSA-N 1 0 406.458 -0.120 20 0 HBADRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550513766 1071079975 /nfs/dbraw/zinc/07/99/75/1071079975.db2.gz DIHBTYPDUIPSED-DOTOQJQBSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550513767 1071080178 /nfs/dbraw/zinc/08/01/78/1071080178.db2.gz DIHBTYPDUIPSED-NVXWUHKLSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550513768 1071080049 /nfs/dbraw/zinc/08/00/49/1071080049.db2.gz DIHBTYPDUIPSED-RDJZCZTQSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550513769 1071080241 /nfs/dbraw/zinc/08/02/41/1071080241.db2.gz DIHBTYPDUIPSED-WBVHZDCISA-N 1 0 405.499 -0.240 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000550519532 1071083656 /nfs/dbraw/zinc/08/36/56/1071083656.db2.gz GWCAQHOTGHVRMR-UHFFFAOYSA-N 1 0 423.539 -0.095 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4cccnn4)CC3)ccn2)CC1 ZINC000550521354 1071083682 /nfs/dbraw/zinc/08/36/82/1071083682.db2.gz ALTANYCBKAALDV-UHFFFAOYSA-N 1 0 424.509 -0.412 20 0 HBADRO COC[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000550523094 1071084391 /nfs/dbraw/zinc/08/43/91/1071084391.db2.gz PSENWRRQFQCFPL-DLBZAZTESA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000550523095 1071084113 /nfs/dbraw/zinc/08/41/13/1071084113.db2.gz PSENWRRQFQCFPL-IAGOWNOFSA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000550523096 1071084311 /nfs/dbraw/zinc/08/43/11/1071084311.db2.gz PSENWRRQFQCFPL-IRXDYDNUSA-N 1 0 405.499 -0.240 20 0 HBADRO COC[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000550523097 1071084537 /nfs/dbraw/zinc/08/45/37/1071084537.db2.gz PSENWRRQFQCFPL-SJORKVTESA-N 1 0 405.499 -0.240 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550524152 1071086342 /nfs/dbraw/zinc/08/63/42/1071086342.db2.gz WEOFKPYYVXLUAR-FQEVSTJZSA-N 1 0 402.499 -0.566 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550524154 1071086581 /nfs/dbraw/zinc/08/65/81/1071086581.db2.gz WEOFKPYYVXLUAR-HXUWFJFHSA-N 1 0 402.499 -0.566 20 0 HBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000550536047 1071091496 /nfs/dbraw/zinc/09/14/96/1071091496.db2.gz RAOXCBBXTFTMML-INIZCTEOSA-N 1 0 403.483 -0.139 20 0 HBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000550536238 1071090394 /nfs/dbraw/zinc/09/03/94/1071090394.db2.gz RAOXCBBXTFTMML-MRXNPFEDSA-N 1 0 403.483 -0.139 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000550544599 1071093250 /nfs/dbraw/zinc/09/32/50/1071093250.db2.gz YRAGEKOFERJMPC-BEFAXECRSA-N 1 0 404.515 -0.002 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000550544600 1071093164 /nfs/dbraw/zinc/09/31/64/1071093164.db2.gz YRAGEKOFERJMPC-DNVCBOLYSA-N 1 0 404.515 -0.002 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000550544601 1071093346 /nfs/dbraw/zinc/09/33/46/1071093346.db2.gz YRAGEKOFERJMPC-HNAYVOBHSA-N 1 0 404.515 -0.002 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000550544602 1071093473 /nfs/dbraw/zinc/09/34/73/1071093473.db2.gz YRAGEKOFERJMPC-KXBFYZLASA-N 1 0 404.515 -0.002 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)n1 ZINC000550552053 1071095443 /nfs/dbraw/zinc/09/54/43/1071095443.db2.gz YIJCSASECDPQKA-UHFFFAOYSA-N 1 0 423.587 -0.109 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000550552061 1071095401 /nfs/dbraw/zinc/09/54/01/1071095401.db2.gz YLKPZTZMTNXJEH-UHFFFAOYSA-N 1 0 402.543 -0.132 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000550552166 1071095362 /nfs/dbraw/zinc/09/53/62/1071095362.db2.gz AISFRAHMCQOLGH-UHFFFAOYSA-N 1 0 417.510 -0.131 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC000550555579 1071096544 /nfs/dbraw/zinc/09/65/44/1071096544.db2.gz LFGCQXOAWKROHV-HOTGVXAUSA-N 1 0 403.531 -0.143 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC000550555580 1071096616 /nfs/dbraw/zinc/09/66/16/1071096616.db2.gz LFGCQXOAWKROHV-HZPDHXFCSA-N 1 0 403.531 -0.143 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC000550555581 1071096853 /nfs/dbraw/zinc/09/68/53/1071096853.db2.gz LFGCQXOAWKROHV-IYBDPMFKSA-N 1 0 403.531 -0.143 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1(C)C ZINC000550570436 1071100595 /nfs/dbraw/zinc/10/05/95/1071100595.db2.gz ZMOGNXBDCWXBBI-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000550577743 1071105849 /nfs/dbraw/zinc/10/58/49/1071105849.db2.gz ZCFUVWDICUGCGJ-UHFFFAOYSA-N 1 0 404.427 -0.203 20 0 HBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)cc1OC ZINC000550582452 1071107458 /nfs/dbraw/zinc/10/74/58/1071107458.db2.gz IMHBUMSHRBZBJD-UHFFFAOYSA-N 1 0 406.483 -0.010 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1nnc2n1CCC2 ZINC000550584102 1069393016 /nfs/dbraw/zinc/39/30/16/1069393016.db2.gz VPHJVDHWBWFNTH-UHFFFAOYSA-N 1 0 411.510 -0.226 20 0 HBADRO COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1O ZINC000550595900 1069395154 /nfs/dbraw/zinc/39/51/54/1069395154.db2.gz GZAUEXZULWCOME-HNNXBMFYSA-N 1 0 404.467 -0.218 20 0 HBADRO COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1O ZINC000550595901 1069395065 /nfs/dbraw/zinc/39/50/65/1069395065.db2.gz GZAUEXZULWCOME-OAHLLOKOSA-N 1 0 404.467 -0.218 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC(O)(COC)CC3)cn2)CC1 ZINC000550604675 1069396495 /nfs/dbraw/zinc/39/64/95/1069396495.db2.gz FYADACJIDQAQEH-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cn2)CC1 ZINC000550605221 1069396448 /nfs/dbraw/zinc/39/64/48/1069396448.db2.gz BRIURSJPAFPLGU-UHFFFAOYSA-N 1 0 400.487 -0.362 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cn2)CC1 ZINC000550605254 1069396123 /nfs/dbraw/zinc/39/61/23/1069396123.db2.gz LXEKHEONUKVSID-DLBZAZTESA-N 1 0 416.526 -0.129 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cn2)CC1 ZINC000550605255 1069396418 /nfs/dbraw/zinc/39/64/18/1069396418.db2.gz LXEKHEONUKVSID-IAGOWNOFSA-N 1 0 416.526 -0.129 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cn2)CC1 ZINC000550605256 1069396468 /nfs/dbraw/zinc/39/64/68/1069396468.db2.gz LXEKHEONUKVSID-IRXDYDNUSA-N 1 0 416.526 -0.129 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cn2)CC1 ZINC000550605259 1069396196 /nfs/dbraw/zinc/39/61/96/1069396196.db2.gz LXEKHEONUKVSID-SJORKVTESA-N 1 0 416.526 -0.129 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)[C@@H](C)C1=O ZINC000550606538 1069395550 /nfs/dbraw/zinc/39/55/50/1069395550.db2.gz LNMXEENPUQDXDH-INIZCTEOSA-N 1 0 416.526 -0.081 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)[C@H](C)C1=O ZINC000550606539 1069395780 /nfs/dbraw/zinc/39/57/80/1069395780.db2.gz LNMXEENPUQDXDH-MRXNPFEDSA-N 1 0 416.526 -0.081 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C(C)=O)C[C@@H]3C)cn2)CC1 ZINC000550607481 1069397135 /nfs/dbraw/zinc/39/71/35/1069397135.db2.gz RGBCZFNSTNJHJZ-INIZCTEOSA-N 1 0 416.526 -0.081 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C(C)=O)C[C@H]3C)cn2)CC1 ZINC000550607482 1069397167 /nfs/dbraw/zinc/39/71/67/1069397167.db2.gz RGBCZFNSTNJHJZ-MRXNPFEDSA-N 1 0 416.526 -0.081 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000550608397 1069396828 /nfs/dbraw/zinc/39/68/28/1069396828.db2.gz FXQWRBOCDHTVAJ-INIZCTEOSA-N 1 0 424.567 -0.010 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000550608398 1069397099 /nfs/dbraw/zinc/39/70/99/1069397099.db2.gz FXQWRBOCDHTVAJ-MRXNPFEDSA-N 1 0 424.567 -0.010 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)cn2)CC1 ZINC000550608751 1069397482 /nfs/dbraw/zinc/39/74/82/1069397482.db2.gz NJSHCHHEMHYKMW-AWEZNQCLSA-N 1 0 411.528 -0.611 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)cn2)CC1 ZINC000550608752 1069397390 /nfs/dbraw/zinc/39/73/90/1069397390.db2.gz NJSHCHHEMHYKMW-CQSZACIVSA-N 1 0 411.528 -0.611 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCN(C)C3=O)cn2)CC1 ZINC000550609144 1069397507 /nfs/dbraw/zinc/39/75/07/1069397507.db2.gz QPMQJHIDKRAYIN-INIZCTEOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCN(C)C3=O)cn2)CC1 ZINC000550609145 1069397577 /nfs/dbraw/zinc/39/75/77/1069397577.db2.gz QPMQJHIDKRAYIN-MRXNPFEDSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC000550611043 1069397604 /nfs/dbraw/zinc/39/76/04/1069397604.db2.gz UOTNTKOMOPDIAT-INIZCTEOSA-N 1 0 401.511 -0.213 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)[C@H]3C)cc2)CC1 ZINC000550611044 1069397698 /nfs/dbraw/zinc/39/76/98/1069397698.db2.gz UOTNTKOMOPDIAT-MRXNPFEDSA-N 1 0 401.511 -0.213 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cn2)CC1 ZINC000550611259 1069397669 /nfs/dbraw/zinc/39/76/69/1069397669.db2.gz ZMBJHRQACMQZRP-GOSISDBHSA-N 1 0 416.526 -0.617 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cn2)CC1 ZINC000550611260 1069397452 /nfs/dbraw/zinc/39/74/52/1069397452.db2.gz ZMBJHRQACMQZRP-SFHVURJKSA-N 1 0 416.526 -0.617 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cn2)CC1 ZINC000550613019 1069396323 /nfs/dbraw/zinc/39/63/23/1069396323.db2.gz WLDLQLKRKXBVHY-IAGOWNOFSA-N 1 0 414.510 -0.423 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000550614029 1069396965 /nfs/dbraw/zinc/39/69/65/1069396965.db2.gz NWGTURDZDRNCAA-INIZCTEOSA-N 1 0 424.567 -0.010 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000550614030 1069396883 /nfs/dbraw/zinc/39/68/83/1069396883.db2.gz NWGTURDZDRNCAA-MRXNPFEDSA-N 1 0 424.567 -0.010 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@](C)(C(=O)NC)C3)cn2)CC1 ZINC000550616879 1069398790 /nfs/dbraw/zinc/39/87/90/1069398790.db2.gz SLXDGHSKWWFGRV-NRFANRHFSA-N 1 0 416.526 -0.176 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@](C)(C(=O)NC)C3)cn2)CC1 ZINC000550616880 1069398576 /nfs/dbraw/zinc/39/85/76/1069398576.db2.gz SLXDGHSKWWFGRV-OAQYLSRUSA-N 1 0 416.526 -0.176 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550619412 1069398296 /nfs/dbraw/zinc/39/82/96/1069398296.db2.gz CBJDUQKWQCOTGL-DLBZAZTESA-N 1 0 408.499 -0.086 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550619413 1069398028 /nfs/dbraw/zinc/39/80/28/1069398028.db2.gz CBJDUQKWQCOTGL-IAGOWNOFSA-N 1 0 408.499 -0.086 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550619414 1069398083 /nfs/dbraw/zinc/39/80/83/1069398083.db2.gz CBJDUQKWQCOTGL-IRXDYDNUSA-N 1 0 408.499 -0.086 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550619415 1069398266 /nfs/dbraw/zinc/39/82/66/1069398266.db2.gz CBJDUQKWQCOTGL-SJORKVTESA-N 1 0 408.499 -0.086 20 0 HBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000550624720 1069400571 /nfs/dbraw/zinc/40/05/71/1069400571.db2.gz ZGUAJZYDVFBLBE-CYBMUJFWSA-N 1 0 409.512 -0.232 20 0 HBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000550624721 1069400361 /nfs/dbraw/zinc/40/03/61/1069400361.db2.gz ZGUAJZYDVFBLBE-ZDUSSCGKSA-N 1 0 409.512 -0.232 20 0 HBADRO CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000550635287 1069402648 /nfs/dbraw/zinc/40/26/48/1069402648.db2.gz QQSKPTWHLTVUOE-DLBZAZTESA-N 1 0 408.524 -0.171 20 0 HBADRO CC[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000550635288 1069402327 /nfs/dbraw/zinc/40/23/27/1069402327.db2.gz QQSKPTWHLTVUOE-IAGOWNOFSA-N 1 0 408.524 -0.171 20 0 HBADRO CC[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000550635289 1069402549 /nfs/dbraw/zinc/40/25/49/1069402549.db2.gz QQSKPTWHLTVUOE-IRXDYDNUSA-N 1 0 408.524 -0.171 20 0 HBADRO CC[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000550635290 1069402591 /nfs/dbraw/zinc/40/25/91/1069402591.db2.gz QQSKPTWHLTVUOE-SJORKVTESA-N 1 0 408.524 -0.171 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1ccc(F)cc1 ZINC000550635951 1069401079 /nfs/dbraw/zinc/40/10/79/1069401079.db2.gz IIKCEUHXOCHCQE-INIZCTEOSA-N 1 0 402.430 -0.119 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1ccc(F)cc1 ZINC000550635952 1069401148 /nfs/dbraw/zinc/40/11/48/1069401148.db2.gz IIKCEUHXOCHCQE-MRXNPFEDSA-N 1 0 402.430 -0.119 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000550635987 1069401111 /nfs/dbraw/zinc/40/11/11/1069401111.db2.gz JJOMKSSRXVAZBT-UHFFFAOYSA-N 1 0 406.574 -0.671 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000550639782 1069403078 /nfs/dbraw/zinc/40/30/78/1069403078.db2.gz RETSNUMHFBTASS-KRWDZBQOSA-N 1 0 423.539 -0.298 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000550639783 1069403158 /nfs/dbraw/zinc/40/31/58/1069403158.db2.gz RETSNUMHFBTASS-QGZVFWFLSA-N 1 0 423.539 -0.298 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000550639801 1069403185 /nfs/dbraw/zinc/40/31/85/1069403185.db2.gz RRVRFWCHSFIBCH-UHFFFAOYSA-N 1 0 402.499 -0.323 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)o1 ZINC000550645896 1069405105 /nfs/dbraw/zinc/40/51/05/1069405105.db2.gz ONOHCPYOCSPVJC-UHFFFAOYSA-N 1 0 407.515 -0.241 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000550646175 1069405071 /nfs/dbraw/zinc/40/50/71/1069405071.db2.gz ZMIMZUKBWFSOKH-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000550648488 1069405571 /nfs/dbraw/zinc/40/55/71/1069405571.db2.gz YFARGIULAIPOEM-INIZCTEOSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000550648489 1069405700 /nfs/dbraw/zinc/40/57/00/1069405700.db2.gz YFARGIULAIPOEM-MRXNPFEDSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000550651444 1069404242 /nfs/dbraw/zinc/40/42/42/1069404242.db2.gz UBIQAVUZEYAKBE-GBESFXJTSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000550651445 1069404447 /nfs/dbraw/zinc/40/44/47/1069404447.db2.gz UBIQAVUZEYAKBE-GUDVDZBRSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000550651447 1069404350 /nfs/dbraw/zinc/40/43/50/1069404350.db2.gz UBIQAVUZEYAKBE-QRVBRYPASA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000550651449 1069404318 /nfs/dbraw/zinc/40/43/18/1069404318.db2.gz UBIQAVUZEYAKBE-QYZOEREBSA-N 1 0 409.575 -0.160 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000550652606 1069406885 /nfs/dbraw/zinc/40/68/85/1069406885.db2.gz OIWZOGYKTCJOCU-INIZCTEOSA-N 1 0 423.539 -0.237 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000550652607 1069407043 /nfs/dbraw/zinc/40/70/43/1069407043.db2.gz OIWZOGYKTCJOCU-MRXNPFEDSA-N 1 0 423.539 -0.237 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)CC1 ZINC000550656717 1069406264 /nfs/dbraw/zinc/40/62/64/1069406264.db2.gz IMAGUHZZBUVWPJ-UHFFFAOYSA-N 1 0 404.515 -0.177 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550657232 1069405628 /nfs/dbraw/zinc/40/56/28/1069405628.db2.gz NUZUFAXTTLTTBI-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550657233 1069405589 /nfs/dbraw/zinc/40/55/89/1069405589.db2.gz NUZUFAXTTLTTBI-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550657235 1069405679 /nfs/dbraw/zinc/40/56/79/1069405679.db2.gz NUZUFAXTTLTTBI-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550657236 1069405834 /nfs/dbraw/zinc/40/58/34/1069405834.db2.gz NUZUFAXTTLTTBI-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000550657539 1069408584 /nfs/dbraw/zinc/40/85/84/1069408584.db2.gz PFJKNAGFUMLFFJ-INIZCTEOSA-N 1 0 404.515 -0.125 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000550657540 1069408561 /nfs/dbraw/zinc/40/85/61/1069408561.db2.gz PFJKNAGFUMLFFJ-MRXNPFEDSA-N 1 0 404.515 -0.125 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000550658140 1069406349 /nfs/dbraw/zinc/40/63/49/1069406349.db2.gz AYBIYLZJWDURTH-HNNXBMFYSA-N 1 0 408.503 -0.292 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000550658141 1069406311 /nfs/dbraw/zinc/40/63/11/1069406311.db2.gz AYBIYLZJWDURTH-OAHLLOKOSA-N 1 0 408.503 -0.292 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000550658442 1069406389 /nfs/dbraw/zinc/40/63/89/1069406389.db2.gz NOYJRADXNCXCDK-INIZCTEOSA-N 1 0 403.483 -0.502 20 0 HBADRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000550658763 1069406956 /nfs/dbraw/zinc/40/69/56/1069406956.db2.gz SYZQRVTWAADTEI-INIZCTEOSA-N 1 0 402.499 -0.471 20 0 HBADRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000550658764 1069406911 /nfs/dbraw/zinc/40/69/11/1069406911.db2.gz SYZQRVTWAADTEI-MRXNPFEDSA-N 1 0 402.499 -0.471 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550659130 1069406866 /nfs/dbraw/zinc/40/68/66/1069406866.db2.gz ZQHCWVZHQKPWAU-KRWDZBQOSA-N 1 0 403.531 -0.437 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550659131 1069407015 /nfs/dbraw/zinc/40/70/15/1069407015.db2.gz ZQHCWVZHQKPWAU-QGZVFWFLSA-N 1 0 403.531 -0.437 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000550660016 1069408604 /nfs/dbraw/zinc/40/86/04/1069408604.db2.gz YNVRLSQTSZPEHT-CYBMUJFWSA-N 1 0 401.489 -0.942 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000550660020 1069408476 /nfs/dbraw/zinc/40/84/76/1069408476.db2.gz YNVRLSQTSZPEHT-ZDUSSCGKSA-N 1 0 401.489 -0.942 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000550660659 1069408995 /nfs/dbraw/zinc/40/89/95/1069408995.db2.gz URUAVSVHBVRPCO-HNNXBMFYSA-N 1 0 402.499 -0.323 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000550660660 1069408892 /nfs/dbraw/zinc/40/88/92/1069408892.db2.gz URUAVSVHBVRPCO-OAHLLOKOSA-N 1 0 402.499 -0.323 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000550664206 1069409910 /nfs/dbraw/zinc/40/99/10/1069409910.db2.gz SPYKAXDCDDVIRQ-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000550664207 1069409737 /nfs/dbraw/zinc/40/97/37/1069409737.db2.gz SPYKAXDCDDVIRQ-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)c1 ZINC000550664429 1069409628 /nfs/dbraw/zinc/40/96/28/1069409628.db2.gz RMXRMIZKHQNIFF-UHFFFAOYSA-N 1 0 412.450 -0.320 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000550666961 1069412684 /nfs/dbraw/zinc/41/26/84/1069412684.db2.gz MKBPNMPMNQKDGB-UHFFFAOYSA-N 1 0 404.515 -0.177 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCOCC1 ZINC000550667153 1069410465 /nfs/dbraw/zinc/41/04/65/1069410465.db2.gz CAMVEMWVVXBHQK-AABGKKOBSA-N 1 0 423.602 -0.056 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCOCC1 ZINC000550667155 1069410683 /nfs/dbraw/zinc/41/06/83/1069410683.db2.gz CAMVEMWVVXBHQK-AQNXPRMDSA-N 1 0 423.602 -0.056 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCOCC1 ZINC000550667156 1069410561 /nfs/dbraw/zinc/41/05/61/1069410561.db2.gz CAMVEMWVVXBHQK-UFYCRDLUSA-N 1 0 423.602 -0.056 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCOCC1 ZINC000550667157 1069410432 /nfs/dbraw/zinc/41/04/32/1069410432.db2.gz CAMVEMWVVXBHQK-ZCNNSNEGSA-N 1 0 423.602 -0.056 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000550667791 1069413409 /nfs/dbraw/zinc/41/34/09/1069413409.db2.gz WGYLUAVDUMOLMC-UHFFFAOYSA-N 1 0 409.556 -0.081 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000550670607 1069413173 /nfs/dbraw/zinc/41/31/73/1069413173.db2.gz JTBSZNBFNQMRPU-UHFFFAOYSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)nc2)CC1 ZINC000550671753 1069411278 /nfs/dbraw/zinc/41/12/78/1069411278.db2.gz XMVMWEBKZMIUDW-UHFFFAOYSA-N 1 0 404.515 -0.224 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000550674204 1069411298 /nfs/dbraw/zinc/41/12/98/1069411298.db2.gz GAUJNPDVVPMRSR-UHFFFAOYSA-N 1 0 407.490 -0.216 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000550674734 1069412005 /nfs/dbraw/zinc/41/20/05/1069412005.db2.gz OLOVRSDGYPGYRK-UHFFFAOYSA-N 1 0 418.498 -0.981 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000550675250 1069411809 /nfs/dbraw/zinc/41/18/09/1069411809.db2.gz FJPLUJDIZYOSOX-AWEZNQCLSA-N 1 0 405.503 -0.586 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)CC1 ZINC000550675251 1069411982 /nfs/dbraw/zinc/41/19/82/1069411982.db2.gz FJPLUJDIZYOSOX-CQSZACIVSA-N 1 0 405.503 -0.586 20 0 HBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550675568 1069411950 /nfs/dbraw/zinc/41/19/50/1069411950.db2.gz VQCJCXQYQLBXRY-GOSISDBHSA-N 1 0 418.542 -0.179 20 0 HBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550675569 1069411763 /nfs/dbraw/zinc/41/17/63/1069411763.db2.gz VQCJCXQYQLBXRY-SFHVURJKSA-N 1 0 418.542 -0.179 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000550676855 1069412349 /nfs/dbraw/zinc/41/23/49/1069412349.db2.gz KOMLJLFDGANVDL-HKUYNNGSSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000550676856 1069412419 /nfs/dbraw/zinc/41/24/19/1069412419.db2.gz KOMLJLFDGANVDL-IEBWSBKVSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000550676857 1069412701 /nfs/dbraw/zinc/41/27/01/1069412701.db2.gz KOMLJLFDGANVDL-MJGOQNOKSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000550677058 1069412446 /nfs/dbraw/zinc/41/24/46/1069412446.db2.gz KOMLJLFDGANVDL-PKOBYXMFSA-N 1 0 415.538 -0.097 20 0 HBADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550677306 1069411707 /nfs/dbraw/zinc/41/17/07/1069411707.db2.gz OCQBVJOURLCHPO-AEFFLSMTSA-N 1 0 424.567 -0.017 20 0 HBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550677308 1069412578 /nfs/dbraw/zinc/41/25/78/1069412578.db2.gz OCQBVJOURLCHPO-FUHWJXTLSA-N 1 0 424.567 -0.017 20 0 HBADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550677310 1069412393 /nfs/dbraw/zinc/41/23/93/1069412393.db2.gz OCQBVJOURLCHPO-SJLPKXTDSA-N 1 0 424.567 -0.017 20 0 HBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000550677311 1069412560 /nfs/dbraw/zinc/41/25/60/1069412560.db2.gz OCQBVJOURLCHPO-WMZOPIPTSA-N 1 0 424.567 -0.017 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC(=O)N1C ZINC000550678018 1069414017 /nfs/dbraw/zinc/41/40/17/1069414017.db2.gz YNFOZYBHNIQRQF-AEFFLSMTSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC(=O)N1C ZINC000550678019 1069413797 /nfs/dbraw/zinc/41/37/97/1069413797.db2.gz YNFOZYBHNIQRQF-FUHWJXTLSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC(=O)N1C ZINC000550678020 1069413950 /nfs/dbraw/zinc/41/39/50/1069413950.db2.gz YNFOZYBHNIQRQF-SJLPKXTDSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC(=O)N1C ZINC000550678021 1069413776 /nfs/dbraw/zinc/41/37/76/1069413776.db2.gz YNFOZYBHNIQRQF-WMZOPIPTSA-N 1 0 401.511 -0.220 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)no1 ZINC000550680098 1069594897 /nfs/dbraw/zinc/59/48/97/1069594897.db2.gz BDISYWNODDMGOU-HNNXBMFYSA-N 1 0 420.514 0.056 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)no1 ZINC000550680099 1069413924 /nfs/dbraw/zinc/41/39/24/1069413924.db2.gz BDISYWNODDMGOU-OAHLLOKOSA-N 1 0 420.514 0.056 20 0 HBADRO CC(=O)N1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550680645 1069413812 /nfs/dbraw/zinc/41/38/12/1069413812.db2.gz DNSXRUIQHMLBFT-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550682572 1069414672 /nfs/dbraw/zinc/41/46/72/1069414672.db2.gz DSAFJPMIRNWNQD-KRWDZBQOSA-N 1 0 418.542 -0.371 20 0 HBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550682573 1069414823 /nfs/dbraw/zinc/41/48/23/1069414823.db2.gz DSAFJPMIRNWNQD-QGZVFWFLSA-N 1 0 418.542 -0.371 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3(N4CCOCC4)CC3)cn2)CC1 ZINC000550682585 1069414707 /nfs/dbraw/zinc/41/47/07/1069414707.db2.gz FFQGEFKZFVXIMP-UHFFFAOYSA-N 1 0 416.526 -0.569 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CC(F)F)CC3)cn2)CC1 ZINC000550682959 1069414833 /nfs/dbraw/zinc/41/48/33/1069414833.db2.gz KIEKOEBNJPOWIV-UHFFFAOYSA-N 1 0 410.469 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000550683351 1069414559 /nfs/dbraw/zinc/41/45/59/1069414559.db2.gz QHWXGJWBTPJYFQ-KRWDZBQOSA-N 1 0 412.494 -0.242 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000550683352 1069414609 /nfs/dbraw/zinc/41/46/09/1069414609.db2.gz QHWXGJWBTPJYFQ-QGZVFWFLSA-N 1 0 412.494 -0.242 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)cn2)CC1 ZINC000550684841 1069415465 /nfs/dbraw/zinc/41/54/65/1069415465.db2.gz CCEUWIBKFNJGBO-UHFFFAOYSA-N 1 0 404.515 -0.272 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000550685041 1069415550 /nfs/dbraw/zinc/41/55/50/1069415550.db2.gz HTAIGVRSZKBGGC-INIZCTEOSA-N 1 0 402.499 -0.425 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000550685043 1069415247 /nfs/dbraw/zinc/41/52/47/1069415247.db2.gz HTAIGVRSZKBGGC-MRXNPFEDSA-N 1 0 402.499 -0.425 20 0 HBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CCO2 ZINC000550685081 1069415332 /nfs/dbraw/zinc/41/53/32/1069415332.db2.gz IWNZSAKOATVJAP-HRAATJIYSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CCO2 ZINC000550685082 1069415437 /nfs/dbraw/zinc/41/54/37/1069415437.db2.gz IWNZSAKOATVJAP-IERDGZPVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CCO2 ZINC000550685083 1069415502 /nfs/dbraw/zinc/41/55/02/1069415502.db2.gz IWNZSAKOATVJAP-IIBYNOLFSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CCO2 ZINC000550685084 1069415537 /nfs/dbraw/zinc/41/55/37/1069415537.db2.gz IWNZSAKOATVJAP-KKSFZXQISA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCN3CCCCC3=O)cn2)CC1 ZINC000550685393 1069414722 /nfs/dbraw/zinc/41/47/22/1069414722.db2.gz MJFZRLPWLRLEKO-UHFFFAOYSA-N 1 0 416.526 -0.032 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CC(C)(C)O)CC3)cn2)CC1 ZINC000550685626 1069414738 /nfs/dbraw/zinc/41/47/38/1069414738.db2.gz RBLYVOYDXXUFNX-UHFFFAOYSA-N 1 0 418.542 -0.635 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4ncccn4)CC3)cn2)CC1 ZINC000550685859 1069415379 /nfs/dbraw/zinc/41/53/79/1069415379.db2.gz FRCBFHMTWDHMSU-UHFFFAOYSA-N 1 0 424.509 -0.412 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC4(CCOCC4)C3)cn2)CC1 ZINC000550685944 1069415452 /nfs/dbraw/zinc/41/54/52/1069415452.db2.gz WRDONCGYQPCAAE-UHFFFAOYSA-N 1 0 417.510 -0.142 20 0 HBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550685985 1069415274 /nfs/dbraw/zinc/41/52/74/1069415274.db2.gz XDDJQVGUVRBALX-CYBMUJFWSA-N 1 0 403.405 -0.169 20 0 HBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550685990 1069416140 /nfs/dbraw/zinc/41/61/40/1069416140.db2.gz XDDJQVGUVRBALX-ZDUSSCGKSA-N 1 0 403.405 -0.169 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)cn2)CC1 ZINC000550686088 1069415416 /nfs/dbraw/zinc/41/54/16/1069415416.db2.gz YTQNZUAXXMVMRF-UHFFFAOYSA-N 1 0 400.483 -0.717 20 0 HBADRO COCCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCOC1 ZINC000550686439 1069415529 /nfs/dbraw/zinc/41/55/29/1069415529.db2.gz MTLVGRJGVLQPLA-KRWDZBQOSA-N 1 0 405.499 -0.287 20 0 HBADRO COCCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCOC1 ZINC000550686440 1069415483 /nfs/dbraw/zinc/41/54/83/1069415483.db2.gz MTLVGRJGVLQPLA-QGZVFWFLSA-N 1 0 405.499 -0.287 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000550686772 1069416070 /nfs/dbraw/zinc/41/60/70/1069416070.db2.gz JYXGBLYUIWRSHR-GOSISDBHSA-N 1 0 409.575 -0.110 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000550686773 1069415966 /nfs/dbraw/zinc/41/59/66/1069415966.db2.gz JYXGBLYUIWRSHR-SFHVURJKSA-N 1 0 409.575 -0.110 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)cn2)CC1 ZINC000550686940 1069415994 /nfs/dbraw/zinc/41/59/94/1069415994.db2.gz VEZQEFPVHFZLCV-HNNXBMFYSA-N 1 0 402.499 -0.436 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)cn2)CC1 ZINC000550686941 1069416125 /nfs/dbraw/zinc/41/61/25/1069416125.db2.gz VEZQEFPVHFZLCV-OAHLLOKOSA-N 1 0 402.499 -0.436 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000550687744 1069416112 /nfs/dbraw/zinc/41/61/12/1069416112.db2.gz PCCGFFIGLWDQCO-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000550688643 1069416553 /nfs/dbraw/zinc/41/65/53/1069416553.db2.gz MXBOPZCJCOVLTA-HNNXBMFYSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000550688644 1069416545 /nfs/dbraw/zinc/41/65/45/1069416545.db2.gz MXBOPZCJCOVLTA-OAHLLOKOSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000550689530 1069416522 /nfs/dbraw/zinc/41/65/22/1069416522.db2.gz REQWCKVNLPAHQP-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000550689531 1069416711 /nfs/dbraw/zinc/41/67/11/1069416711.db2.gz REQWCKVNLPAHQP-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000550689851 1069416643 /nfs/dbraw/zinc/41/66/43/1069416643.db2.gz COKOJYUKBNRBNX-UHFFFAOYSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000550692379 1069417222 /nfs/dbraw/zinc/41/72/22/1069417222.db2.gz VQWMUFDDJLFGFJ-MSOLQXFVSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000550692380 1069417179 /nfs/dbraw/zinc/41/71/79/1069417179.db2.gz VQWMUFDDJLFGFJ-QZTJIDSGSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000550692381 1069417253 /nfs/dbraw/zinc/41/72/53/1069417253.db2.gz VQWMUFDDJLFGFJ-ROUUACIJSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000550692382 1069417339 /nfs/dbraw/zinc/41/73/39/1069417339.db2.gz VQWMUFDDJLFGFJ-ZWKOTPCHSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000550692580 1069417238 /nfs/dbraw/zinc/41/72/38/1069417238.db2.gz XMUHNQBCKZXFAH-UHFFFAOYSA-N 1 0 403.527 -0.097 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1 ZINC000550694622 1069418035 /nfs/dbraw/zinc/41/80/35/1069418035.db2.gz KIZDGWAJWPJDFT-UHFFFAOYSA-N 1 0 400.501 -0.753 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000550695489 1069418717 /nfs/dbraw/zinc/41/87/17/1069418717.db2.gz CCAUYYXLJBWTEC-GOSISDBHSA-N 1 0 417.510 -0.712 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000550695490 1069418703 /nfs/dbraw/zinc/41/87/03/1069418703.db2.gz CCAUYYXLJBWTEC-SFHVURJKSA-N 1 0 417.510 -0.712 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550698613 1069419352 /nfs/dbraw/zinc/41/93/52/1069419352.db2.gz YKSLMVFGADIADP-KRWDZBQOSA-N 1 0 401.511 -0.343 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550698614 1069419401 /nfs/dbraw/zinc/41/94/01/1069419401.db2.gz YKSLMVFGADIADP-QGZVFWFLSA-N 1 0 401.511 -0.343 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000550707721 1069420650 /nfs/dbraw/zinc/42/06/50/1069420650.db2.gz XXSCXBMKCWNIOT-CALCHBBNSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000550707722 1069420592 /nfs/dbraw/zinc/42/05/92/1069420592.db2.gz XXSCXBMKCWNIOT-IAGOWNOFSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000550707723 1069420687 /nfs/dbraw/zinc/42/06/87/1069420687.db2.gz XXSCXBMKCWNIOT-IRXDYDNUSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000550708861 1069421079 /nfs/dbraw/zinc/42/10/79/1069421079.db2.gz XRMHHDCRJHQZTG-CALCHBBNSA-N 1 0 418.542 -0.087 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000550708862 1069421187 /nfs/dbraw/zinc/42/11/87/1069421187.db2.gz XRMHHDCRJHQZTG-IAGOWNOFSA-N 1 0 418.542 -0.087 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000550708863 1069421320 /nfs/dbraw/zinc/42/13/20/1069421320.db2.gz XRMHHDCRJHQZTG-IRXDYDNUSA-N 1 0 418.542 -0.087 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000550709010 1069420540 /nfs/dbraw/zinc/42/05/40/1069420540.db2.gz YUZQMBWDUXNQJE-AEFFLSMTSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000550709011 1069421160 /nfs/dbraw/zinc/42/11/60/1069421160.db2.gz YUZQMBWDUXNQJE-FUHWJXTLSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000550709012 1069421038 /nfs/dbraw/zinc/42/10/38/1069421038.db2.gz YUZQMBWDUXNQJE-SJLPKXTDSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000550709013 1069421285 /nfs/dbraw/zinc/42/12/85/1069421285.db2.gz YUZQMBWDUXNQJE-WMZOPIPTSA-N 1 0 401.511 -0.172 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000550712419 1069421721 /nfs/dbraw/zinc/42/17/21/1069421721.db2.gz MMGWZTKRTKDJAL-GOSISDBHSA-N 1 0 417.510 -0.977 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000550712420 1069421861 /nfs/dbraw/zinc/42/18/61/1069421861.db2.gz MMGWZTKRTKDJAL-SFHVURJKSA-N 1 0 417.510 -0.977 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550712805 1069422353 /nfs/dbraw/zinc/42/23/53/1069422353.db2.gz QIGNGAOTXWFMDT-KRWDZBQOSA-N 1 0 423.539 -0.796 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000550712808 1069422388 /nfs/dbraw/zinc/42/23/88/1069422388.db2.gz QIGNGAOTXWFMDT-QGZVFWFLSA-N 1 0 423.539 -0.796 20 0 HBADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCCNC(=O)c1cnccn1 ZINC000550713822 1069422294 /nfs/dbraw/zinc/42/22/94/1069422294.db2.gz MMNMFQQXBWXAMU-UHFFFAOYSA-N 1 0 410.478 -0.113 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550721409 1069423854 /nfs/dbraw/zinc/42/38/54/1069423854.db2.gz WWIQILIXYMQYHB-UHFFFAOYSA-N 1 0 401.515 -0.542 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000550727016 1069423893 /nfs/dbraw/zinc/42/38/93/1069423893.db2.gz NGKNLYQZTGCCCZ-UHFFFAOYSA-N 1 0 415.494 -0.571 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCc3cccc(C(N)=O)c3)CC2)CC1 ZINC000550727378 1069423964 /nfs/dbraw/zinc/42/39/64/1069423964.db2.gz UDIOEBUPXSMMBL-UHFFFAOYSA-N 1 0 401.511 -0.112 20 0 HBADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000550734503 1069425318 /nfs/dbraw/zinc/42/53/18/1069425318.db2.gz QZAQBUARDBNUDF-AEFFLSMTSA-N 1 0 414.510 -0.476 20 0 HBADRO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000550734508 1069425124 /nfs/dbraw/zinc/42/51/24/1069425124.db2.gz QZAQBUARDBNUDF-FUHWJXTLSA-N 1 0 414.510 -0.476 20 0 HBADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000550734510 1069425276 /nfs/dbraw/zinc/42/52/76/1069425276.db2.gz QZAQBUARDBNUDF-SJLPKXTDSA-N 1 0 414.510 -0.476 20 0 HBADRO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000550734512 1069425105 /nfs/dbraw/zinc/42/51/05/1069425105.db2.gz QZAQBUARDBNUDF-WMZOPIPTSA-N 1 0 414.510 -0.476 20 0 HBADRO Cc1ccc([C@H](CNc2nc(NCCO)[nH+]c(NC(C)C)n2)N2CCOCC2)o1 ZINC000550735809 1069426538 /nfs/dbraw/zinc/42/65/38/1069426538.db2.gz DMRBGAZJGAOAQS-HNNXBMFYSA-N 1 0 405.503 -0.251 20 0 HBADRO Cc1ccc([C@@H](CNc2nc(NCCO)[nH+]c(NC(C)C)n2)N2CCOCC2)o1 ZINC000550735810 1069426519 /nfs/dbraw/zinc/42/65/19/1069426519.db2.gz DMRBGAZJGAOAQS-OAHLLOKOSA-N 1 0 405.503 -0.251 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000550736098 1069426599 /nfs/dbraw/zinc/42/65/99/1069426599.db2.gz ZLZTZCOGRBXCSB-UHFFFAOYSA-N 1 0 402.904 -0.055 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000550771130 1069434378 /nfs/dbraw/zinc/43/43/78/1069434378.db2.gz ZMBCGBMBTJBIDT-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550771979 1069434288 /nfs/dbraw/zinc/43/42/88/1069434288.db2.gz HUWIUXVNWIXRSL-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550772000 1069434317 /nfs/dbraw/zinc/43/43/17/1069434317.db2.gz IKRYZDHTZKREOY-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[NH+]3CCOCC3)C2=O)n1 ZINC000550777552 1069435404 /nfs/dbraw/zinc/43/54/04/1069435404.db2.gz GXEMPKNXWQDZFV-HNNXBMFYSA-N 1 0 406.487 -0.740 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)N1CC[NH+](C)CC1 ZINC000550777611 1069435434 /nfs/dbraw/zinc/43/54/34/1069435434.db2.gz BHSSSSRIAJQBPW-FHWLQOOXSA-N 1 0 420.558 -0.657 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)N1CC[NH+](C)CC1 ZINC000550777612 1069435473 /nfs/dbraw/zinc/43/54/73/1069435473.db2.gz BHSSSSRIAJQBPW-GBESFXJTSA-N 1 0 420.558 -0.657 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]3CCOCC3)C2=O)n1 ZINC000550777753 1069435980 /nfs/dbraw/zinc/43/59/80/1069435980.db2.gz GXEMPKNXWQDZFV-OAHLLOKOSA-N 1 0 406.487 -0.740 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)N1CC[NH+](C)CC1 ZINC000550777772 1069436000 /nfs/dbraw/zinc/43/60/00/1069436000.db2.gz CKRFKOOKKLIZDW-KRWDZBQOSA-N 1 0 405.547 -0.111 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1)N1CC[NH+](C)CC1 ZINC000550777778 1069436013 /nfs/dbraw/zinc/43/60/13/1069436013.db2.gz CKRFKOOKKLIZDW-QGZVFWFLSA-N 1 0 405.547 -0.111 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000550778325 1069437280 /nfs/dbraw/zinc/43/72/80/1069437280.db2.gz NKHSBJWZBLVCFF-CYBMUJFWSA-N 1 0 407.437 -0.435 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000550778326 1069437175 /nfs/dbraw/zinc/43/71/75/1069437175.db2.gz NKHSBJWZBLVCFF-ZDUSSCGKSA-N 1 0 407.437 -0.435 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)N1CC[NH+](C)CC1 ZINC000550778677 1069436619 /nfs/dbraw/zinc/43/66/19/1069436619.db2.gz KTJIITAOOIZXID-MSOLQXFVSA-N 1 0 419.574 -0.107 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)N1CC[NH+](C)CC1 ZINC000550778678 1069436644 /nfs/dbraw/zinc/43/66/44/1069436644.db2.gz KTJIITAOOIZXID-QZTJIDSGSA-N 1 0 419.574 -0.107 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)N1CC[NH+](C)CC1 ZINC000550778679 1069437301 /nfs/dbraw/zinc/43/73/01/1069437301.db2.gz KTJIITAOOIZXID-ROUUACIJSA-N 1 0 419.574 -0.107 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)N1CC[NH+](C)CC1 ZINC000550778680 1069437323 /nfs/dbraw/zinc/43/73/23/1069437323.db2.gz KTJIITAOOIZXID-ZWKOTPCHSA-N 1 0 419.574 -0.107 20 0 HBADRO CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H](C)CS(C)(=O)=O ZINC000550778722 1069435964 /nfs/dbraw/zinc/43/59/64/1069435964.db2.gz LLODGVKLFOFLBY-CVEARBPZSA-N 1 0 404.577 -0.344 20 0 HBADRO CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000550778723 1069436055 /nfs/dbraw/zinc/43/60/55/1069436055.db2.gz LLODGVKLFOFLBY-HOTGVXAUSA-N 1 0 404.577 -0.344 20 0 HBADRO CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H](C)CS(C)(=O)=O ZINC000550778724 1069436045 /nfs/dbraw/zinc/43/60/45/1069436045.db2.gz LLODGVKLFOFLBY-HZPDHXFCSA-N 1 0 404.577 -0.344 20 0 HBADRO CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000550778725 1069435990 /nfs/dbraw/zinc/43/59/90/1069435990.db2.gz LLODGVKLFOFLBY-JKSUJKDBSA-N 1 0 404.577 -0.344 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000550779083 1069437266 /nfs/dbraw/zinc/43/72/66/1069437266.db2.gz NLRWUEVRKGFPCJ-KRWDZBQOSA-N 1 0 403.531 -0.487 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000550779084 1069437133 /nfs/dbraw/zinc/43/71/33/1069437133.db2.gz NLRWUEVRKGFPCJ-QGZVFWFLSA-N 1 0 403.531 -0.487 20 0 HBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)n1 ZINC000550779156 1069436651 /nfs/dbraw/zinc/43/66/51/1069436651.db2.gz VDVAXZCVWGQFHI-UHFFFAOYSA-N 1 0 417.558 -0.114 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000550779485 1069436656 /nfs/dbraw/zinc/43/66/56/1069436656.db2.gz SHVBMKQSXAOAPE-KRWDZBQOSA-N 1 0 403.531 -0.487 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)N1CC[NH+](C)CC1 ZINC000550779486 1069436629 /nfs/dbraw/zinc/43/66/29/1069436629.db2.gz SHVBMKQSXAOAPE-QGZVFWFLSA-N 1 0 403.531 -0.487 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1)N1CC[NH+](C)CC1 ZINC000550779649 1069436667 /nfs/dbraw/zinc/43/66/67/1069436667.db2.gz WFBDDZMJGCRSGR-GOSISDBHSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1)N1CC[NH+](C)CC1 ZINC000550779650 1069436681 /nfs/dbraw/zinc/43/66/81/1069436681.db2.gz WFBDDZMJGCRSGR-SFHVURJKSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)N1CC[NH+](C)CC1 ZINC000550779667 1069436589 /nfs/dbraw/zinc/43/65/89/1069436589.db2.gz WURXLUXDQTXGKU-DLBZAZTESA-N 1 0 408.547 -0.563 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)N1CC[NH+](C)CC1 ZINC000550779668 1069436671 /nfs/dbraw/zinc/43/66/71/1069436671.db2.gz WURXLUXDQTXGKU-IAGOWNOFSA-N 1 0 408.547 -0.563 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)N1CC[NH+](C)CC1 ZINC000550779669 1069436598 /nfs/dbraw/zinc/43/65/98/1069436598.db2.gz WURXLUXDQTXGKU-IRXDYDNUSA-N 1 0 408.547 -0.563 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)N1CC[NH+](C)CC1 ZINC000550779670 1069436606 /nfs/dbraw/zinc/43/66/06/1069436606.db2.gz WURXLUXDQTXGKU-SJORKVTESA-N 1 0 408.547 -0.563 20 0 HBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550779829 1069437333 /nfs/dbraw/zinc/43/73/33/1069437333.db2.gz ZGGYMHBUDJYSPG-GOSISDBHSA-N 1 0 408.547 -0.217 20 0 HBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550779830 1069437343 /nfs/dbraw/zinc/43/73/43/1069437343.db2.gz ZGGYMHBUDJYSPG-SFHVURJKSA-N 1 0 408.547 -0.217 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000550780481 1069437919 /nfs/dbraw/zinc/43/79/19/1069437919.db2.gz GSFSPLRQIGTMNQ-INIZCTEOSA-N 1 0 416.544 -0.759 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000550780484 1069437901 /nfs/dbraw/zinc/43/79/01/1069437901.db2.gz GSFSPLRQIGTMNQ-MRXNPFEDSA-N 1 0 416.544 -0.759 20 0 HBADRO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)C2)n1 ZINC000550780610 1069437822 /nfs/dbraw/zinc/43/78/22/1069437822.db2.gz ICVZAZAHTLHFFM-INIZCTEOSA-N 1 0 421.546 -0.015 20 0 HBADRO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)C2)n1 ZINC000550780612 1069437924 /nfs/dbraw/zinc/43/79/24/1069437924.db2.gz ICVZAZAHTLHFFM-MRXNPFEDSA-N 1 0 421.546 -0.015 20 0 HBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)CC(C)C ZINC000550782724 1069438398 /nfs/dbraw/zinc/43/83/98/1069438398.db2.gz SCLKSQAHWFEKHN-KRWDZBQOSA-N 1 0 423.558 -0.192 20 0 HBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)CC(C)C ZINC000550782727 1069438468 /nfs/dbraw/zinc/43/84/68/1069438468.db2.gz SCLKSQAHWFEKHN-QGZVFWFLSA-N 1 0 423.558 -0.192 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000550783001 1069439123 /nfs/dbraw/zinc/43/91/23/1069439123.db2.gz WXBVRWMSYINRHV-KRWDZBQOSA-N 1 0 405.547 -0.241 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000550783002 1069439038 /nfs/dbraw/zinc/43/90/38/1069439038.db2.gz WXBVRWMSYINRHV-QGZVFWFLSA-N 1 0 405.547 -0.241 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1)N1CC[NH+](C)CC1 ZINC000550783119 1069438485 /nfs/dbraw/zinc/43/84/85/1069438485.db2.gz XMJOHOXVCJSFKP-GOSISDBHSA-N 1 0 419.574 -0.548 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1)N1CC[NH+](C)CC1 ZINC000550783120 1069438353 /nfs/dbraw/zinc/43/83/53/1069438353.db2.gz XMJOHOXVCJSFKP-SFHVURJKSA-N 1 0 419.574 -0.548 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550784119 1069439622 /nfs/dbraw/zinc/43/96/22/1069439622.db2.gz DSMFZQIAGBELPH-HNNXBMFYSA-N 1 0 404.533 -0.856 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550784120 1069439771 /nfs/dbraw/zinc/43/97/71/1069439771.db2.gz DSMFZQIAGBELPH-OAHLLOKOSA-N 1 0 404.533 -0.856 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000550784360 1069439589 /nfs/dbraw/zinc/43/95/89/1069439589.db2.gz UBZPTHVGVDPMDM-UHFFFAOYSA-N 1 0 408.572 -0.069 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000550784643 1069438890 /nfs/dbraw/zinc/43/88/90/1069438890.db2.gz WTVRBLFNLAXYJC-UHFFFAOYSA-N 1 0 412.512 -0.561 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550784782 1069439402 /nfs/dbraw/zinc/43/94/02/1069439402.db2.gz MUUGWYXSXFSROV-UHFFFAOYSA-N 1 0 411.547 -0.772 20 0 HBADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000550785025 1069439515 /nfs/dbraw/zinc/43/95/15/1069439515.db2.gz NWZHEIDHMYNMCN-UHFFFAOYSA-N 1 0 411.591 -0.053 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000550785039 1069439805 /nfs/dbraw/zinc/43/98/05/1069439805.db2.gz OHHCGFSXJCRACT-UHFFFAOYSA-N 1 0 405.499 -0.237 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)C2)cn1 ZINC000550785721 1069439817 /nfs/dbraw/zinc/43/98/17/1069439817.db2.gz VSUYHQBHGFSUPG-KRWDZBQOSA-N 1 0 405.547 -0.351 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)C2)cn1 ZINC000550785722 1069439746 /nfs/dbraw/zinc/43/97/46/1069439746.db2.gz VSUYHQBHGFSUPG-QGZVFWFLSA-N 1 0 405.547 -0.351 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000550786091 1069440890 /nfs/dbraw/zinc/44/08/90/1069440890.db2.gz ZHVXCEXNVWWIAP-UHFFFAOYSA-N 1 0 405.499 -0.237 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CCNC(=O)C3)CC2)c1 ZINC000550786118 1069440913 /nfs/dbraw/zinc/44/09/13/1069440913.db2.gz ZXYHEOSXQVUHQA-UHFFFAOYSA-N 1 0 401.511 -0.028 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)c1 ZINC000550788305 1069441554 /nfs/dbraw/zinc/44/15/54/1069441554.db2.gz MOGMRAGGGFKFQJ-GOSISDBHSA-N 1 0 417.510 -0.664 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)c1 ZINC000550788306 1069441588 /nfs/dbraw/zinc/44/15/88/1069441588.db2.gz MOGMRAGGGFKFQJ-SFHVURJKSA-N 1 0 417.510 -0.664 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000550788809 1069442205 /nfs/dbraw/zinc/44/22/05/1069442205.db2.gz HRCDPQYYYVHZJR-INIZCTEOSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000550788829 1069442048 /nfs/dbraw/zinc/44/20/48/1069442048.db2.gz HRCDPQYYYVHZJR-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000550790868 1069440424 /nfs/dbraw/zinc/44/04/24/1069440424.db2.gz QACGPLNAVXULGS-UHFFFAOYSA-N 1 0 411.547 -0.772 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000550791087 1069440386 /nfs/dbraw/zinc/44/03/86/1069440386.db2.gz WMFUMKIXOYBQDZ-UHFFFAOYSA-N 1 0 419.574 -0.402 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000550791477 1069440413 /nfs/dbraw/zinc/44/04/13/1069440413.db2.gz NGHWDCLKVGNSCO-INIZCTEOSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000550791478 1069440326 /nfs/dbraw/zinc/44/03/26/1069440326.db2.gz NGHWDCLKVGNSCO-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)CC1 ZINC000550799294 1069567535 /nfs/dbraw/zinc/56/75/35/1069567535.db2.gz FSEFAOZDTZWELL-UHFFFAOYSA-N 1 0 413.482 0.476 20 0 HBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)ccc21 ZINC000550799565 1069599093 /nfs/dbraw/zinc/59/90/93/1069599093.db2.gz AKSBMJOAHFPVPW-UHFFFAOYSA-N 1 0 414.466 0.557 20 0 HBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)OCO2 ZINC000550801154 1069590787 /nfs/dbraw/zinc/59/07/87/1069590787.db2.gz WRNPZQKQDXRNGH-UHFFFAOYSA-N 1 0 403.395 0.537 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000550807836 1069449284 /nfs/dbraw/zinc/44/92/84/1069449284.db2.gz FGSWXFWVYYSRDI-UHFFFAOYSA-N 1 0 415.538 -0.472 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000550808334 1069448839 /nfs/dbraw/zinc/44/88/39/1069448839.db2.gz PCBWALPFDUZSMH-GOSISDBHSA-N 1 0 403.527 -0.398 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000550808335 1069448716 /nfs/dbraw/zinc/44/87/16/1069448716.db2.gz PCBWALPFDUZSMH-SFHVURJKSA-N 1 0 403.527 -0.398 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000550809689 1069449342 /nfs/dbraw/zinc/44/93/42/1069449342.db2.gz BNTXUYHVTHEFIK-INIZCTEOSA-N 1 0 413.482 -0.032 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000550809690 1069449435 /nfs/dbraw/zinc/44/94/35/1069449435.db2.gz BNTXUYHVTHEFIK-MRXNPFEDSA-N 1 0 413.482 -0.032 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550818045 1069450618 /nfs/dbraw/zinc/45/06/18/1069450618.db2.gz XZWLNPMKRNJAGC-KRWDZBQOSA-N 1 0 417.558 -0.049 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550818052 1069450806 /nfs/dbraw/zinc/45/08/06/1069450806.db2.gz XZWLNPMKRNJAGC-QGZVFWFLSA-N 1 0 417.558 -0.049 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550818615 1069450652 /nfs/dbraw/zinc/45/06/52/1069450652.db2.gz OPTPTNOEALQONE-UHFFFAOYSA-N 1 0 415.542 -0.198 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000550823834 1069453218 /nfs/dbraw/zinc/45/32/18/1069453218.db2.gz AMKWQHZVPORSQR-MSOLQXFVSA-N 1 0 417.558 -0.097 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000550823835 1069453103 /nfs/dbraw/zinc/45/31/03/1069453103.db2.gz AMKWQHZVPORSQR-QZTJIDSGSA-N 1 0 417.558 -0.097 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000550823836 1069453146 /nfs/dbraw/zinc/45/31/46/1069453146.db2.gz AMKWQHZVPORSQR-ROUUACIJSA-N 1 0 417.558 -0.097 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000550823837 1069453236 /nfs/dbraw/zinc/45/32/36/1069453236.db2.gz AMKWQHZVPORSQR-ZWKOTPCHSA-N 1 0 417.558 -0.097 20 0 HBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550824252 1069452533 /nfs/dbraw/zinc/45/25/33/1069452533.db2.gz JBMNQILPRKFVOJ-UHFFFAOYSA-N 1 0 405.547 -0.239 20 0 HBADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550824548 1069452612 /nfs/dbraw/zinc/45/26/12/1069452612.db2.gz KEGZCHPFDVONAB-DLBZAZTESA-N 1 0 403.531 -0.440 20 0 HBADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550824550 1069452446 /nfs/dbraw/zinc/45/24/46/1069452446.db2.gz KEGZCHPFDVONAB-IAGOWNOFSA-N 1 0 403.531 -0.440 20 0 HBADRO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000550824551 1069452594 /nfs/dbraw/zinc/45/25/94/1069452594.db2.gz KEGZCHPFDVONAB-IRXDYDNUSA-N 1 0 403.531 -0.440 20 0 HBADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550824552 1069452676 /nfs/dbraw/zinc/45/26/76/1069452676.db2.gz KEGZCHPFDVONAB-SJORKVTESA-N 1 0 403.531 -0.440 20 0 HBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550825263 1069453725 /nfs/dbraw/zinc/45/37/25/1069453725.db2.gz ACLGJDFFPHPRRB-UHFFFAOYSA-N 1 0 403.531 -0.485 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825676 1069453127 /nfs/dbraw/zinc/45/31/27/1069453127.db2.gz VSAUHOCWDCNJAK-MSOLQXFVSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825678 1069453136 /nfs/dbraw/zinc/45/31/36/1069453136.db2.gz VSAUHOCWDCNJAK-QZTJIDSGSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825679 1069453268 /nfs/dbraw/zinc/45/32/68/1069453268.db2.gz VSAUHOCWDCNJAK-ROUUACIJSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825680 1069453207 /nfs/dbraw/zinc/45/32/07/1069453207.db2.gz VSAUHOCWDCNJAK-ZWKOTPCHSA-N 1 0 415.542 -0.343 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550825709 1069453251 /nfs/dbraw/zinc/45/32/51/1069453251.db2.gz GDHXJWRTOHYMMJ-KRWDZBQOSA-N 1 0 403.531 -0.343 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550825711 1069453700 /nfs/dbraw/zinc/45/37/00/1069453700.db2.gz GDHXJWRTOHYMMJ-QGZVFWFLSA-N 1 0 403.531 -0.343 20 0 HBADRO CC1=CC[N@H+](CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000550825754 1069453153 /nfs/dbraw/zinc/45/31/53/1069453153.db2.gz WTBPPGDBUPJFSP-UHFFFAOYSA-N 1 0 401.515 -0.517 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000550825762 1069453119 /nfs/dbraw/zinc/45/31/19/1069453119.db2.gz WXNUEBZCGBAHPL-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825817 1069453092 /nfs/dbraw/zinc/45/30/92/1069453092.db2.gz YSENVANJTAGVRV-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550825818 1069453229 /nfs/dbraw/zinc/45/32/29/1069453229.db2.gz YSENVANJTAGVRV-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000550826359 1069453986 /nfs/dbraw/zinc/45/39/86/1069453986.db2.gz QQOKBUMMEJFTKH-GOSISDBHSA-N 1 0 415.542 -0.198 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000550826360 1069454469 /nfs/dbraw/zinc/45/44/69/1069454469.db2.gz QQOKBUMMEJFTKH-SFHVURJKSA-N 1 0 415.542 -0.198 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550827623 1069455183 /nfs/dbraw/zinc/45/51/83/1069455183.db2.gz YTKDDVLEUAZVFX-KRWDZBQOSA-N 1 0 403.531 -0.343 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000550827624 1069455121 /nfs/dbraw/zinc/45/51/21/1069455121.db2.gz YTKDDVLEUAZVFX-QGZVFWFLSA-N 1 0 403.531 -0.343 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550827956 1069453658 /nfs/dbraw/zinc/45/36/58/1069453658.db2.gz TXYVMZPQBOQZQW-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000550839300 1069456245 /nfs/dbraw/zinc/45/62/45/1069456245.db2.gz XHQJIAKPEFDABR-GOSISDBHSA-N 1 0 408.528 -0.313 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000550839301 1069456479 /nfs/dbraw/zinc/45/64/79/1069456479.db2.gz XHQJIAKPEFDABR-SFHVURJKSA-N 1 0 408.528 -0.313 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CCSC1 ZINC000550839318 1069455542 /nfs/dbraw/zinc/45/55/42/1069455542.db2.gz XSGJRBRYSWOGJJ-MSOLQXFVSA-N 1 0 411.528 -0.623 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CCSC1 ZINC000550839320 1069455564 /nfs/dbraw/zinc/45/55/64/1069455564.db2.gz XSGJRBRYSWOGJJ-QZTJIDSGSA-N 1 0 411.528 -0.623 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CCSC1 ZINC000550839321 1069456254 /nfs/dbraw/zinc/45/62/54/1069456254.db2.gz XSGJRBRYSWOGJJ-ROUUACIJSA-N 1 0 411.528 -0.623 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CCSC1 ZINC000550839322 1069456368 /nfs/dbraw/zinc/45/63/68/1069456368.db2.gz XSGJRBRYSWOGJJ-ZWKOTPCHSA-N 1 0 411.528 -0.623 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCSC1 ZINC000550840060 1069456575 /nfs/dbraw/zinc/45/65/75/1069456575.db2.gz JDTANXKPXDHUOJ-IBGZPJMESA-N 1 0 411.572 -0.694 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCSC1 ZINC000550840061 1069456303 /nfs/dbraw/zinc/45/63/03/1069456303.db2.gz JDTANXKPXDHUOJ-LJQANCHMSA-N 1 0 411.572 -0.694 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000550842397 1069456444 /nfs/dbraw/zinc/45/64/44/1069456444.db2.gz OQYMOCCZUYIONC-UHFFFAOYSA-N 1 0 402.411 -0.102 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550842951 1069456922 /nfs/dbraw/zinc/45/69/22/1069456922.db2.gz MSPBSCHIPSCING-CLCXKQKWSA-N 1 0 414.572 -0.070 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550842953 1069457082 /nfs/dbraw/zinc/45/70/82/1069457082.db2.gz MSPBSCHIPSCING-KHYOSLBOSA-N 1 0 414.572 -0.070 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550842955 1069456963 /nfs/dbraw/zinc/45/69/63/1069456963.db2.gz MSPBSCHIPSCING-QMTMVMCOSA-N 1 0 414.572 -0.070 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550842956 1069456849 /nfs/dbraw/zinc/45/68/49/1069456849.db2.gz MSPBSCHIPSCING-SPYBWZPUSA-N 1 0 414.572 -0.070 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1=O ZINC000550843377 1069456830 /nfs/dbraw/zinc/45/68/30/1069456830.db2.gz RAZNJAQUCVFBTR-AUUYWEPGSA-N 1 0 422.555 -0.419 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1=O ZINC000550843378 1069457066 /nfs/dbraw/zinc/45/70/66/1069457066.db2.gz RAZNJAQUCVFBTR-IFXJQAMLSA-N 1 0 422.555 -0.419 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1=O ZINC000550843379 1069456995 /nfs/dbraw/zinc/45/69/95/1069456995.db2.gz RAZNJAQUCVFBTR-KUHUBIRLSA-N 1 0 422.555 -0.419 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1=O ZINC000550843380 1069456869 /nfs/dbraw/zinc/45/68/69/1069456869.db2.gz RAZNJAQUCVFBTR-LIRRHRJNSA-N 1 0 422.555 -0.419 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)ncn1 ZINC000550843407 1069457009 /nfs/dbraw/zinc/45/70/09/1069457009.db2.gz RPJYCBSJANPKQT-GOSISDBHSA-N 1 0 408.528 -0.313 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)ncn1 ZINC000550843408 1069456943 /nfs/dbraw/zinc/45/69/43/1069456943.db2.gz RPJYCBSJANPKQT-SFHVURJKSA-N 1 0 408.528 -0.313 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000550862499 1069463639 /nfs/dbraw/zinc/46/36/39/1069463639.db2.gz ITUOWAAUAQYZCA-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000550862500 1069463608 /nfs/dbraw/zinc/46/36/08/1069463608.db2.gz ITUOWAAUAQYZCA-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000550872378 1069462162 /nfs/dbraw/zinc/46/21/62/1069462162.db2.gz WEEBCRQZGONYED-UHFFFAOYSA-N 1 0 419.526 -0.477 20 0 HBADRO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000550872518 1069462330 /nfs/dbraw/zinc/46/23/30/1069462330.db2.gz XGYYTHDGEJXUKE-UHFFFAOYSA-N 1 0 415.494 -0.571 20 0 HBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000550872952 1069464090 /nfs/dbraw/zinc/46/40/90/1069464090.db2.gz LWQAODYAXFULSG-UHFFFAOYSA-N 1 0 419.526 -0.615 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000550876500 1069466295 /nfs/dbraw/zinc/46/62/95/1069466295.db2.gz JCBKYQBLVKTXTK-UHFFFAOYSA-N 1 0 419.526 -0.477 20 0 HBADRO CCN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1c1ncc[nH]1 ZINC000550877845 1069466961 /nfs/dbraw/zinc/46/69/61/1069466961.db2.gz KYGJUBFMXGUPSO-KRWDZBQOSA-N 1 0 405.547 -0.243 20 0 HBADRO CCN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000550877846 1069467021 /nfs/dbraw/zinc/46/70/21/1069467021.db2.gz KYGJUBFMXGUPSO-QGZVFWFLSA-N 1 0 405.547 -0.243 20 0 HBADRO CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000550878598 1069467095 /nfs/dbraw/zinc/46/70/95/1069467095.db2.gz WQAIHCFEODMSKR-HNNXBMFYSA-N 1 0 404.577 -0.200 20 0 HBADRO CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000550878612 1069467140 /nfs/dbraw/zinc/46/71/40/1069467140.db2.gz WQAIHCFEODMSKR-OAHLLOKOSA-N 1 0 404.577 -0.200 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550878674 1069466937 /nfs/dbraw/zinc/46/69/37/1069466937.db2.gz YNQYYXKKNJAUEW-UHFFFAOYSA-N 1 0 405.547 -0.794 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1(C)C ZINC000550888981 1069465706 /nfs/dbraw/zinc/46/57/06/1069465706.db2.gz SUUVTTMRFDEREN-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000550889029 1069465727 /nfs/dbraw/zinc/46/57/27/1069465727.db2.gz WKUKTWFDRZBOCM-UHFFFAOYSA-N 1 0 419.526 -0.477 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCSC[C@@H]3CCO)ccn2)CC1 ZINC000550889166 1069465691 /nfs/dbraw/zinc/46/56/91/1069465691.db2.gz BAXBWTOGLDVGFK-INIZCTEOSA-N 1 0 407.540 -0.224 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCSC[C@H]3CCO)ccn2)CC1 ZINC000550889167 1069465858 /nfs/dbraw/zinc/46/58/58/1069465858.db2.gz BAXBWTOGLDVGFK-MRXNPFEDSA-N 1 0 407.540 -0.224 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000550889227 1069465721 /nfs/dbraw/zinc/46/57/21/1069465721.db2.gz CTYPEOCKFIPONW-UHFFFAOYSA-N 1 0 419.526 -0.477 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 ZINC000550891670 1069466302 /nfs/dbraw/zinc/46/63/02/1069466302.db2.gz MEJGHDNVIBEXEP-KRWDZBQOSA-N 1 0 412.494 -0.009 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000550891671 1069466367 /nfs/dbraw/zinc/46/63/67/1069466367.db2.gz MEJGHDNVIBEXEP-QGZVFWFLSA-N 1 0 412.494 -0.009 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000550891826 1069466390 /nfs/dbraw/zinc/46/63/90/1069466390.db2.gz IKQNWXXHWMYKJP-UHFFFAOYSA-N 1 0 415.494 -0.571 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000550892388 1069467652 /nfs/dbraw/zinc/46/76/52/1069467652.db2.gz NMSFPMVKEFRRKI-UHFFFAOYSA-N 1 0 416.526 -0.224 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C(=O)NC)cc2)CC1 ZINC000550892991 1069468270 /nfs/dbraw/zinc/46/82/70/1069468270.db2.gz SPQYSNBLMOOMQS-UHFFFAOYSA-N 1 0 417.510 -0.325 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000550893710 1069467638 /nfs/dbraw/zinc/46/76/38/1069467638.db2.gz YWTJTKXWEQHCKZ-UHFFFAOYSA-N 1 0 416.526 -0.128 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000550895824 1069468220 /nfs/dbraw/zinc/46/82/20/1069468220.db2.gz SQYJLZZVEKJEOE-UHFFFAOYSA-N 1 0 415.494 -0.525 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCc3cccc(C(N)=O)c3)ccn2)CC1 ZINC000550896340 1069469347 /nfs/dbraw/zinc/46/93/47/1069469347.db2.gz BYKGTYSRYDJFLF-UHFFFAOYSA-N 1 0 410.478 -0.135 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550896638 1069468854 /nfs/dbraw/zinc/46/88/54/1069468854.db2.gz MYCOSTCYORKNKS-INIZCTEOSA-N 1 0 413.478 -0.772 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550896639 1069468765 /nfs/dbraw/zinc/46/87/65/1069468765.db2.gz MYCOSTCYORKNKS-MRXNPFEDSA-N 1 0 413.478 -0.772 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550897328 1069469461 /nfs/dbraw/zinc/46/94/61/1069469461.db2.gz ONJCZDIUJRZUNQ-UHFFFAOYSA-N 1 0 417.510 -0.277 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1nccn2cnnc12 ZINC000550900418 1069470598 /nfs/dbraw/zinc/47/05/98/1069470598.db2.gz PPPUFTBPCAXEBC-CABCVRRESA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1nccn2cnnc12 ZINC000550900419 1069470537 /nfs/dbraw/zinc/47/05/37/1069470537.db2.gz PPPUFTBPCAXEBC-GJZGRUSLSA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1nccn2cnnc12 ZINC000550900420 1069470588 /nfs/dbraw/zinc/47/05/88/1069470588.db2.gz PPPUFTBPCAXEBC-HUUCEWRRSA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1nccn2cnnc12 ZINC000550900421 1069470501 /nfs/dbraw/zinc/47/05/01/1069470501.db2.gz PPPUFTBPCAXEBC-LSDHHAIUSA-N 1 0 412.498 -0.238 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000550900872 1069470464 /nfs/dbraw/zinc/47/04/64/1069470464.db2.gz VRUBLRBHCSECRT-PBHICJAKSA-N 1 0 423.539 -0.198 20 0 HBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000550900873 1069470563 /nfs/dbraw/zinc/47/05/63/1069470563.db2.gz VRUBLRBHCSECRT-RHSMWYFYSA-N 1 0 423.539 -0.198 20 0 HBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000550900874 1069470574 /nfs/dbraw/zinc/47/05/74/1069470574.db2.gz VRUBLRBHCSECRT-WMLDXEAASA-N 1 0 423.539 -0.198 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000550900875 1069470451 /nfs/dbraw/zinc/47/04/51/1069470451.db2.gz VRUBLRBHCSECRT-YOEHRIQHSA-N 1 0 423.539 -0.198 20 0 HBADRO CNC(=O)CC1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550905050 1069471726 /nfs/dbraw/zinc/47/17/26/1069471726.db2.gz FQJUMXPFOQJIKX-UHFFFAOYSA-N 1 0 416.526 -0.176 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000550905502 1069471200 /nfs/dbraw/zinc/47/12/00/1069471200.db2.gz KHBNDIFEQVKPFO-DOTOQJQBSA-N 1 0 405.499 -0.240 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000550905503 1069471117 /nfs/dbraw/zinc/47/11/17/1069471117.db2.gz KHBNDIFEQVKPFO-NVXWUHKLSA-N 1 0 405.499 -0.240 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000550905504 1069471089 /nfs/dbraw/zinc/47/10/89/1069471089.db2.gz KHBNDIFEQVKPFO-RDJZCZTQSA-N 1 0 405.499 -0.240 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000550905505 1069471223 /nfs/dbraw/zinc/47/12/23/1069471223.db2.gz KHBNDIFEQVKPFO-WBVHZDCISA-N 1 0 405.499 -0.240 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(CC(C)(C)O)CC3)ccn2)CC1 ZINC000550906031 1069467751 /nfs/dbraw/zinc/46/77/51/1069467751.db2.gz ONSXZPHBADLQEG-UHFFFAOYSA-N 1 0 418.542 -0.635 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550906281 1069467182 /nfs/dbraw/zinc/46/71/82/1069467182.db2.gz SKGFLTVQSOSBLA-INIZCTEOSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550906284 1069467791 /nfs/dbraw/zinc/46/77/91/1069467791.db2.gz SKGFLTVQSOSBLA-MRXNPFEDSA-N 1 0 404.515 -0.714 20 0 HBADRO CCCN1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000550906824 1069471766 /nfs/dbraw/zinc/47/17/66/1069471766.db2.gz YUMRHEIJVMQYHB-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550907649 1069467803 /nfs/dbraw/zinc/46/78/03/1069467803.db2.gz USEDZOOLIIKHDK-UHFFFAOYSA-N 1 0 404.515 -0.122 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550907756 1069467668 /nfs/dbraw/zinc/46/76/68/1069467668.db2.gz YXLDVBQEDLYOOS-HNNXBMFYSA-N 1 0 405.543 -0.212 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550907757 1069467820 /nfs/dbraw/zinc/46/78/20/1069467820.db2.gz YXLDVBQEDLYOOS-OAHLLOKOSA-N 1 0 405.543 -0.212 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1)N1CCCC1 ZINC000550907940 1069474091 /nfs/dbraw/zinc/47/40/91/1069474091.db2.gz GMGUVXXWTGKBRO-UHFFFAOYSA-N 1 0 405.543 -0.256 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000550910597 1069471793 /nfs/dbraw/zinc/47/17/93/1069471793.db2.gz QBHOOSDYAAMCMN-GOSISDBHSA-N 1 0 416.526 -0.165 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000550910598 1069471822 /nfs/dbraw/zinc/47/18/22/1069471822.db2.gz QBHOOSDYAAMCMN-SFHVURJKSA-N 1 0 416.526 -0.165 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000550910651 1069471742 /nfs/dbraw/zinc/47/17/42/1069471742.db2.gz RQQMABVMFBKVME-UHFFFAOYSA-N 1 0 421.517 -0.257 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCOC4(CCOCC4)C3)ccn2)CC1 ZINC000550912976 1069472307 /nfs/dbraw/zinc/47/23/07/1069472307.db2.gz INIMVKVIGCEZTQ-UHFFFAOYSA-N 1 0 417.510 -0.142 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC3([S@@](C)=O)CCC3)ccn2)CC1 ZINC000550913183 1069472435 /nfs/dbraw/zinc/47/24/35/1069472435.db2.gz JFXNIAPIIHFOHB-MUUNZHRXSA-N 1 0 407.540 -0.133 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC3([S@](C)=O)CCC3)ccn2)CC1 ZINC000550913184 1069472383 /nfs/dbraw/zinc/47/23/83/1069472383.db2.gz JFXNIAPIIHFOHB-NDEPHWFRSA-N 1 0 407.540 -0.133 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550913550 1069472394 /nfs/dbraw/zinc/47/23/94/1069472394.db2.gz MTSOXYYNEAORET-CVEARBPZSA-N 1 0 402.499 -0.520 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550913551 1069472330 /nfs/dbraw/zinc/47/23/30/1069472330.db2.gz MTSOXYYNEAORET-HOTGVXAUSA-N 1 0 402.499 -0.520 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550913552 1069472257 /nfs/dbraw/zinc/47/22/57/1069472257.db2.gz MTSOXYYNEAORET-HZPDHXFCSA-N 1 0 402.499 -0.520 20 0 HBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550913553 1069472349 /nfs/dbraw/zinc/47/23/49/1069472349.db2.gz MTSOXYYNEAORET-JKSUJKDBSA-N 1 0 402.499 -0.520 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000550914030 1069472271 /nfs/dbraw/zinc/47/22/71/1069472271.db2.gz PJBKAVHPWPBQOC-INIZCTEOSA-N 1 0 407.515 -0.041 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000550914033 1069472339 /nfs/dbraw/zinc/47/23/39/1069472339.db2.gz PJBKAVHPWPBQOC-MRXNPFEDSA-N 1 0 407.515 -0.041 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cn2)C[C@@H](C)O1 ZINC000550914126 1069472421 /nfs/dbraw/zinc/47/24/21/1069472421.db2.gz QOQNCKJIBNVCEE-JFIYKMOQSA-N 1 0 418.542 -0.327 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cn2)C[C@H](C)O1 ZINC000550914127 1069472321 /nfs/dbraw/zinc/47/23/21/1069472321.db2.gz QOQNCKJIBNVCEE-JZXOWHBKSA-N 1 0 418.542 -0.327 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cn2)C[C@@H](C)O1 ZINC000550914129 1069472213 /nfs/dbraw/zinc/47/22/13/1069472213.db2.gz QOQNCKJIBNVCEE-NUJGCVRESA-N 1 0 418.542 -0.327 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cn2)C[C@H](C)O1 ZINC000550914131 1069472365 /nfs/dbraw/zinc/47/23/65/1069472365.db2.gz QOQNCKJIBNVCEE-SOLBZPMBSA-N 1 0 418.542 -0.327 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000550915244 1069472964 /nfs/dbraw/zinc/47/29/64/1069472964.db2.gz ZFCKAESKGUGXBM-UHFFFAOYSA-N 1 0 416.526 -0.558 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCN3CCOC(C)(C)C3)ccn2)CC1 ZINC000550916841 1069473020 /nfs/dbraw/zinc/47/30/20/1069473020.db2.gz OIVVJOSTZVVTNQ-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000550927917 1069476246 /nfs/dbraw/zinc/47/62/46/1069476246.db2.gz KVVAYSQYCXQMQY-IBGZPJMESA-N 1 0 403.527 -0.503 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000550927918 1069476298 /nfs/dbraw/zinc/47/62/98/1069476298.db2.gz KVVAYSQYCXQMQY-LJQANCHMSA-N 1 0 403.527 -0.503 20 0 HBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000550929278 1069476288 /nfs/dbraw/zinc/47/62/88/1069476288.db2.gz KEBYRAQVOAVMNV-UHFFFAOYSA-N 1 0 403.483 -0.137 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000550932406 1069476852 /nfs/dbraw/zinc/47/68/52/1069476852.db2.gz JOKIIJZSVUEDBF-KRWDZBQOSA-N 1 0 405.499 -0.239 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000550932407 1069476961 /nfs/dbraw/zinc/47/69/61/1069476961.db2.gz JOKIIJZSVUEDBF-QGZVFWFLSA-N 1 0 405.499 -0.239 20 0 HBADRO CCOC1(C)CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000550941771 1069475168 /nfs/dbraw/zinc/47/51/68/1069475168.db2.gz XNUFBLJICOBTEH-UHFFFAOYSA-N 1 0 408.503 -0.083 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550942038 1069477510 /nfs/dbraw/zinc/47/75/10/1069477510.db2.gz GRTVLORPCPSTPW-UHFFFAOYSA-N 1 0 411.547 -0.776 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000550943926 1069478065 /nfs/dbraw/zinc/47/80/65/1069478065.db2.gz TYAROQZCVYOLLA-UHFFFAOYSA-N 1 0 416.526 -0.430 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC(Oc3cnccn3)CC2)CC1 ZINC000550943977 1069478013 /nfs/dbraw/zinc/47/80/13/1069478013.db2.gz VTHXZJLQEXLLLH-UHFFFAOYSA-N 1 0 404.515 -0.011 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000550945042 1069478590 /nfs/dbraw/zinc/47/85/90/1069478590.db2.gz HYPRUXQLGSYJAQ-UHFFFAOYSA-N 1 0 418.560 -0.655 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000550945733 1069478030 /nfs/dbraw/zinc/47/80/30/1069478030.db2.gz CHRJIUIMUIUHEJ-INIZCTEOSA-N 1 0 402.561 -0.036 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000550945734 1069478076 /nfs/dbraw/zinc/47/80/76/1069478076.db2.gz CHRJIUIMUIUHEJ-MRXNPFEDSA-N 1 0 402.561 -0.036 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000550946004 1069478657 /nfs/dbraw/zinc/47/86/57/1069478657.db2.gz BQTZGLMJBUMKGY-UHFFFAOYSA-N 1 0 416.526 -0.558 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000550949659 1069479126 /nfs/dbraw/zinc/47/91/26/1069479126.db2.gz GTXVLXTVKASQNN-UHFFFAOYSA-N 1 0 406.549 -0.921 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000550954664 1069480290 /nfs/dbraw/zinc/48/02/90/1069480290.db2.gz WNMIIDSDWYRECJ-UHFFFAOYSA-N 1 0 411.547 -0.917 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000550965768 1069480786 /nfs/dbraw/zinc/48/07/86/1069480786.db2.gz DOMQPIWZMBOOHU-YIONKMFJSA-N 1 0 418.498 -0.085 20 0 HBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000550971744 1069482516 /nfs/dbraw/zinc/48/25/16/1069482516.db2.gz RVWRIAXJJITUBO-KRWDZBQOSA-N 1 0 406.483 -0.264 20 0 HBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000550971745 1069482421 /nfs/dbraw/zinc/48/24/21/1069482421.db2.gz RVWRIAXJJITUBO-QGZVFWFLSA-N 1 0 406.483 -0.264 20 0 HBADRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000550974924 1069483086 /nfs/dbraw/zinc/48/30/86/1069483086.db2.gz LFWXKYHUMHGXBZ-UHFFFAOYSA-N 1 0 412.564 -0.614 20 0 HBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000550995007 1069485306 /nfs/dbraw/zinc/48/53/06/1069485306.db2.gz YZJSYAGXOGHHKD-KRWDZBQOSA-N 1 0 416.526 -0.033 20 0 HBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000550995008 1069485214 /nfs/dbraw/zinc/48/52/14/1069485214.db2.gz YZJSYAGXOGHHKD-QGZVFWFLSA-N 1 0 416.526 -0.033 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)cn2)CC1 ZINC000550995813 1069485240 /nfs/dbraw/zinc/48/52/40/1069485240.db2.gz JXDFIEQRONQWMR-INIZCTEOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)cn2)CC1 ZINC000550995814 1069485250 /nfs/dbraw/zinc/48/52/50/1069485250.db2.gz JXDFIEQRONQWMR-MRXNPFEDSA-N 1 0 402.499 -0.423 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1=O ZINC000550999198 1069486799 /nfs/dbraw/zinc/48/67/99/1069486799.db2.gz MKUYNKKVHBRHJE-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)cn2)CC1 ZINC000551001741 1069486887 /nfs/dbraw/zinc/48/68/87/1069486887.db2.gz YAYLKEJFSBQATA-CVEARBPZSA-N 1 0 407.515 -0.570 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)cn2)CC1 ZINC000551001742 1069486856 /nfs/dbraw/zinc/48/68/56/1069486856.db2.gz YAYLKEJFSBQATA-HOTGVXAUSA-N 1 0 407.515 -0.570 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)cn2)CC1 ZINC000551001792 1069486812 /nfs/dbraw/zinc/48/68/12/1069486812.db2.gz YAYLKEJFSBQATA-HZPDHXFCSA-N 1 0 407.515 -0.570 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cn2)CC1 ZINC000551001794 1069486850 /nfs/dbraw/zinc/48/68/50/1069486850.db2.gz YAYLKEJFSBQATA-JKSUJKDBSA-N 1 0 407.515 -0.570 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000551006408 1069486251 /nfs/dbraw/zinc/48/62/51/1069486251.db2.gz DLUKZMZDNXAMFV-QGZVFWFLSA-N 1 0 423.539 -0.298 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nnn1CCOc1ccc(F)cc1 ZINC000551015817 1069489844 /nfs/dbraw/zinc/48/98/44/1069489844.db2.gz IQJWGYJSQQHCTL-IBGZPJMESA-N 1 0 420.445 -0.074 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nnn1CCOc1ccc(F)cc1 ZINC000551015818 1069489793 /nfs/dbraw/zinc/48/97/93/1069489793.db2.gz IQJWGYJSQQHCTL-LJQANCHMSA-N 1 0 420.445 -0.074 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000551018965 1069489851 /nfs/dbraw/zinc/48/98/51/1069489851.db2.gz JXDKCEZRTAINHP-HNNXBMFYSA-N 1 0 400.476 -0.352 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000551018970 1069489784 /nfs/dbraw/zinc/48/97/84/1069489784.db2.gz JXDKCEZRTAINHP-OAHLLOKOSA-N 1 0 400.476 -0.352 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000551019657 1069489760 /nfs/dbraw/zinc/48/97/60/1069489760.db2.gz PJHWOQFRCRJICC-UHFFFAOYSA-N 1 0 412.556 -0.219 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000551020950 1069489868 /nfs/dbraw/zinc/48/98/68/1069489868.db2.gz DEYHAPBLZRZRGW-INIZCTEOSA-N 1 0 400.545 -0.139 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000551020951 1069489777 /nfs/dbraw/zinc/48/97/77/1069489777.db2.gz DEYHAPBLZRZRGW-MRXNPFEDSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000551022550 1069490555 /nfs/dbraw/zinc/49/05/55/1069490555.db2.gz FDMQKPOAJMANTH-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000551022551 1069490985 /nfs/dbraw/zinc/49/09/85/1069490985.db2.gz FDMQKPOAJMANTH-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000551028324 1069490581 /nfs/dbraw/zinc/49/05/81/1069490581.db2.gz BXDKAWMRAFHZBI-UHFFFAOYSA-N 1 0 416.526 -0.558 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000551030079 1069490481 /nfs/dbraw/zinc/49/04/81/1069490481.db2.gz GWVOIPZVMPKEBK-UHFFFAOYSA-N 1 0 415.538 -0.169 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000551030491 1069490545 /nfs/dbraw/zinc/49/05/45/1069490545.db2.gz RLCOZWNRSDJKQV-UHFFFAOYSA-N 1 0 421.517 -0.004 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C[NH+](C)C ZINC000551031782 1069490469 /nfs/dbraw/zinc/49/04/69/1069490469.db2.gz FSJBZUBEIQPDJW-ILXRZTDVSA-N 1 0 408.503 -0.229 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C[NH+](C)C ZINC000551031792 1069491053 /nfs/dbraw/zinc/49/10/53/1069491053.db2.gz FSJBZUBEIQPDJW-KFWWJZLASA-N 1 0 408.503 -0.229 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C[NH+](C)C ZINC000551031794 1069490997 /nfs/dbraw/zinc/49/09/97/1069490997.db2.gz FSJBZUBEIQPDJW-RBSFLKMASA-N 1 0 408.503 -0.229 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C[NH+](C)C ZINC000551031795 1069491079 /nfs/dbraw/zinc/49/10/79/1069491079.db2.gz FSJBZUBEIQPDJW-SOUVJXGZSA-N 1 0 408.503 -0.229 20 0 HBADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000551037314 1069491727 /nfs/dbraw/zinc/49/17/27/1069491727.db2.gz DUINJDRPPLBYFX-HNNXBMFYSA-N 1 0 400.483 -0.004 20 0 HBADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000551037319 1069491748 /nfs/dbraw/zinc/49/17/48/1069491748.db2.gz DUINJDRPPLBYFX-OAHLLOKOSA-N 1 0 400.483 -0.004 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000551040397 1069494146 /nfs/dbraw/zinc/49/41/46/1069494146.db2.gz ZWQOXCGNHCLKEU-AWEZNQCLSA-N 1 0 406.574 -0.671 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000551040398 1069494030 /nfs/dbraw/zinc/49/40/30/1069494030.db2.gz ZWQOXCGNHCLKEU-CQSZACIVSA-N 1 0 406.574 -0.671 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000551042597 1069494685 /nfs/dbraw/zinc/49/46/85/1069494685.db2.gz OVYQLHBSVOIRDK-CVEARBPZSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000551042598 1069494707 /nfs/dbraw/zinc/49/47/07/1069494707.db2.gz OVYQLHBSVOIRDK-HOTGVXAUSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000551042599 1069494630 /nfs/dbraw/zinc/49/46/30/1069494630.db2.gz OVYQLHBSVOIRDK-HZPDHXFCSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000551042600 1069494668 /nfs/dbraw/zinc/49/46/68/1069494668.db2.gz OVYQLHBSVOIRDK-JKSUJKDBSA-N 1 0 400.545 -0.139 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000551044622 1069495166 /nfs/dbraw/zinc/49/51/66/1069495166.db2.gz RMDOOASPNODFHC-CYBMUJFWSA-N 1 0 400.501 -0.136 20 0 HBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000551044623 1069495205 /nfs/dbraw/zinc/49/52/05/1069495205.db2.gz RMDOOASPNODFHC-ZDUSSCGKSA-N 1 0 400.501 -0.136 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000551048726 1069492752 /nfs/dbraw/zinc/49/27/52/1069492752.db2.gz MUBUUUXTAOFPST-UHFFFAOYSA-N 1 0 403.483 -0.502 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000551048891 1069492765 /nfs/dbraw/zinc/49/27/65/1069492765.db2.gz UFNVJCRMASDCDV-UHFFFAOYSA-N 1 0 403.483 -0.502 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000551049064 1069493646 /nfs/dbraw/zinc/49/36/46/1069493646.db2.gz WBJOLZGELDPOSD-UHFFFAOYSA-N 1 0 412.450 -0.320 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000551049744 1069493626 /nfs/dbraw/zinc/49/36/26/1069493626.db2.gz UYIPIBXGYJXFNN-UHFFFAOYSA-N 1 0 403.483 -0.311 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000551058327 1069496943 /nfs/dbraw/zinc/49/69/43/1069496943.db2.gz JEGXSJWJHIZBRI-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551058343 1069496926 /nfs/dbraw/zinc/49/69/26/1069496926.db2.gz JTXAZAXPPFQZFU-AZUAARDMSA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551058344 1069496977 /nfs/dbraw/zinc/49/69/77/1069496977.db2.gz JTXAZAXPPFQZFU-ICSRJNTNSA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551058345 1069497045 /nfs/dbraw/zinc/49/70/45/1069497045.db2.gz JTXAZAXPPFQZFU-QUCCMNQESA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551058346 1069496986 /nfs/dbraw/zinc/49/69/86/1069496986.db2.gz JTXAZAXPPFQZFU-UYAOXDASSA-N 1 0 417.554 -0.072 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000551058606 1069496284 /nfs/dbraw/zinc/49/62/84/1069496284.db2.gz RWTJSIKWTNYDMU-UHFFFAOYSA-N 1 0 419.526 -0.477 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[NH+](C)C)cc1 ZINC000551058854 1069496410 /nfs/dbraw/zinc/49/64/10/1069496410.db2.gz WZPKOQQHQMNUJU-GOSISDBHSA-N 1 0 403.527 -0.006 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[NH+](C)C)cc1 ZINC000551058855 1069496271 /nfs/dbraw/zinc/49/62/71/1069496271.db2.gz WZPKOQQHQMNUJU-SFHVURJKSA-N 1 0 403.527 -0.006 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551059908 1069496894 /nfs/dbraw/zinc/49/68/94/1069496894.db2.gz MYOICCHNQGLKAH-HKUYNNGSSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551059910 1069497000 /nfs/dbraw/zinc/49/70/00/1069497000.db2.gz MYOICCHNQGLKAH-IEBWSBKVSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551059912 1069496953 /nfs/dbraw/zinc/49/69/53/1069496953.db2.gz MYOICCHNQGLKAH-MJGOQNOKSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551059913 1069497062 /nfs/dbraw/zinc/49/70/62/1069497062.db2.gz MYOICCHNQGLKAH-PKOBYXMFSA-N 1 0 401.511 -0.172 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000551060029 1069497569 /nfs/dbraw/zinc/49/75/69/1069497569.db2.gz PDKNGQRCKXFLIQ-MOPGFXCFSA-N 1 0 404.511 -0.035 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000551060031 1069497652 /nfs/dbraw/zinc/49/76/52/1069497652.db2.gz PDKNGQRCKXFLIQ-OALUTQOASA-N 1 0 404.511 -0.035 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000551060032 1069497710 /nfs/dbraw/zinc/49/77/10/1069497710.db2.gz PDKNGQRCKXFLIQ-RBUKOAKNSA-N 1 0 404.511 -0.035 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000551060033 1069497610 /nfs/dbraw/zinc/49/76/10/1069497610.db2.gz PDKNGQRCKXFLIQ-RTBURBONSA-N 1 0 404.511 -0.035 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c2ccccc2)CC1 ZINC000551060341 1069497701 /nfs/dbraw/zinc/49/77/01/1069497701.db2.gz SIBKQRRLRWZARY-IBGZPJMESA-N 1 0 413.522 -0.076 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c2ccccc2)CC1 ZINC000551060343 1069497599 /nfs/dbraw/zinc/49/75/99/1069497599.db2.gz SIBKQRRLRWZARY-LJQANCHMSA-N 1 0 413.522 -0.076 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c2ccccc2)CC1 ZINC000551062073 1069498279 /nfs/dbraw/zinc/49/82/79/1069498279.db2.gz IBBJVIYNZVCJDL-PMACEKPBSA-N 1 0 415.538 -0.366 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c2ccccc2)CC1 ZINC000551062078 1069498212 /nfs/dbraw/zinc/49/82/12/1069498212.db2.gz IBBJVIYNZVCJDL-UXHICEINSA-N 1 0 415.538 -0.366 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c2ccccc2)CC1 ZINC000551062080 1069498239 /nfs/dbraw/zinc/49/82/39/1069498239.db2.gz IBBJVIYNZVCJDL-VQTJNVASSA-N 1 0 415.538 -0.366 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c2ccccc2)CC1 ZINC000551062145 1069498225 /nfs/dbraw/zinc/49/82/25/1069498225.db2.gz IBBJVIYNZVCJDL-WOJBJXKFSA-N 1 0 415.538 -0.366 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000551062215 1069498146 /nfs/dbraw/zinc/49/81/46/1069498146.db2.gz JAJLICFJRSZAHA-UHFFFAOYSA-N 1 0 421.517 -0.004 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)c1 ZINC000551062655 1069498166 /nfs/dbraw/zinc/49/81/66/1069498166.db2.gz OSKCOMQKMSKRSX-UHFFFAOYSA-N 1 0 418.498 -0.981 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000551067981 1069499841 /nfs/dbraw/zinc/49/98/41/1069499841.db2.gz RHDHVISUAOLTNR-KRWDZBQOSA-N 1 0 409.556 -0.041 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000551067982 1069499853 /nfs/dbraw/zinc/49/98/53/1069499853.db2.gz RHDHVISUAOLTNR-QGZVFWFLSA-N 1 0 409.556 -0.041 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000551068827 1069499889 /nfs/dbraw/zinc/49/98/89/1069499889.db2.gz KILAMRZZPRWELZ-INIZCTEOSA-N 1 0 423.539 -0.095 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000551068828 1069499857 /nfs/dbraw/zinc/49/98/57/1069499857.db2.gz KILAMRZZPRWELZ-MRXNPFEDSA-N 1 0 423.539 -0.095 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000551073138 1069500886 /nfs/dbraw/zinc/50/08/86/1069500886.db2.gz DQEBMLQEYAXDEH-MSOLQXFVSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000551073139 1069501062 /nfs/dbraw/zinc/50/10/62/1069501062.db2.gz DQEBMLQEYAXDEH-QZTJIDSGSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000551073140 1069501078 /nfs/dbraw/zinc/50/10/78/1069501078.db2.gz DQEBMLQEYAXDEH-ROUUACIJSA-N 1 0 401.511 -0.172 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000551073141 1069500987 /nfs/dbraw/zinc/50/09/87/1069500987.db2.gz DQEBMLQEYAXDEH-ZWKOTPCHSA-N 1 0 401.511 -0.172 20 0 HBADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000551077131 1069501501 /nfs/dbraw/zinc/50/15/01/1069501501.db2.gz QVTYMKXHITZULQ-KRWDZBQOSA-N 1 0 406.531 -0.245 20 0 HBADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000551077132 1069501542 /nfs/dbraw/zinc/50/15/42/1069501542.db2.gz QVTYMKXHITZULQ-QGZVFWFLSA-N 1 0 406.531 -0.245 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000551078281 1069502022 /nfs/dbraw/zinc/50/20/22/1069502022.db2.gz RQHVGOUBRYKNBJ-HTUJPFKRSA-N 1 0 407.559 -0.407 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000551078283 1069501936 /nfs/dbraw/zinc/50/19/36/1069501936.db2.gz RQHVGOUBRYKNBJ-KAKFPZCNSA-N 1 0 407.559 -0.407 20 0 HBADRO CNC(=O)CCN(C)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000551081091 1069499384 /nfs/dbraw/zinc/49/93/84/1069499384.db2.gz SOHSOGSLGRPGDK-UHFFFAOYSA-N 1 0 403.527 -0.095 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000551081797 1069499321 /nfs/dbraw/zinc/49/93/21/1069499321.db2.gz UUPVODRKKSYILY-HNNXBMFYSA-N 1 0 412.512 -0.562 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000551081801 1069499349 /nfs/dbraw/zinc/49/93/49/1069499349.db2.gz UUPVODRKKSYILY-OAHLLOKOSA-N 1 0 412.512 -0.562 20 0 HBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000551081816 1069498761 /nfs/dbraw/zinc/49/87/61/1069498761.db2.gz YZAQMNYPIIHAKL-MSOLQXFVSA-N 1 0 406.527 -0.095 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)CO ZINC000551081818 1069498801 /nfs/dbraw/zinc/49/88/01/1069498801.db2.gz YZAQMNYPIIHAKL-QZTJIDSGSA-N 1 0 406.527 -0.095 20 0 HBADRO C[C@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000551081820 1069498805 /nfs/dbraw/zinc/49/88/05/1069498805.db2.gz YZAQMNYPIIHAKL-ROUUACIJSA-N 1 0 406.527 -0.095 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000551081823 1069498766 /nfs/dbraw/zinc/49/87/66/1069498766.db2.gz YZAQMNYPIIHAKL-ZWKOTPCHSA-N 1 0 406.527 -0.095 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](CO)O1 ZINC000551081918 1069499379 /nfs/dbraw/zinc/49/93/79/1069499379.db2.gz VVYCOBNNMWZBIE-HKUYNNGSSA-N 1 0 404.511 -0.077 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](CO)O1 ZINC000551081919 1069499451 /nfs/dbraw/zinc/49/94/51/1069499451.db2.gz VVYCOBNNMWZBIE-IEBWSBKVSA-N 1 0 404.511 -0.077 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](CO)O1 ZINC000551081920 1069499368 /nfs/dbraw/zinc/49/93/68/1069499368.db2.gz VVYCOBNNMWZBIE-MJGOQNOKSA-N 1 0 404.511 -0.077 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](CO)O1 ZINC000551081921 1069499423 /nfs/dbraw/zinc/49/94/23/1069499423.db2.gz VVYCOBNNMWZBIE-PKOBYXMFSA-N 1 0 404.511 -0.077 20 0 HBADRO NC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000551088484 1069503534 /nfs/dbraw/zinc/50/35/34/1069503534.db2.gz HDWPAEBMSUCPIT-UHFFFAOYSA-N 1 0 401.467 -0.832 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000551089180 1069503182 /nfs/dbraw/zinc/50/31/82/1069503182.db2.gz KWJFXOWDHNLBFU-IBGZPJMESA-N 1 0 402.495 -0.086 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000551089182 1069503352 /nfs/dbraw/zinc/50/33/52/1069503352.db2.gz KWJFXOWDHNLBFU-LJQANCHMSA-N 1 0 402.495 -0.086 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)NC)c2)CC1 ZINC000551089509 1069503521 /nfs/dbraw/zinc/50/35/21/1069503521.db2.gz SLYFIFGXZBVGJX-UHFFFAOYSA-N 1 0 417.510 -0.325 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000551093583 1069504052 /nfs/dbraw/zinc/50/40/52/1069504052.db2.gz OWWMAXKKHHNJJR-HOTGVXAUSA-N 1 0 421.542 -0.580 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000551093585 1069503939 /nfs/dbraw/zinc/50/39/39/1069503939.db2.gz OWWMAXKKHHNJJR-HZPDHXFCSA-N 1 0 421.542 -0.580 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000551093586 1069503870 /nfs/dbraw/zinc/50/38/70/1069503870.db2.gz OWWMAXKKHHNJJR-IYBDPMFKSA-N 1 0 421.542 -0.580 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1COCCO1 ZINC000551093604 1069504035 /nfs/dbraw/zinc/50/40/35/1069504035.db2.gz PHKVEKPRZIVBFT-IBGZPJMESA-N 1 0 404.511 -0.158 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000551093605 1069504552 /nfs/dbraw/zinc/50/45/52/1069504552.db2.gz PHKVEKPRZIVBFT-LJQANCHMSA-N 1 0 404.511 -0.158 20 0 HBADRO Cn1nccc1[C@H]1[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC(=O)N1C ZINC000551098939 1069504571 /nfs/dbraw/zinc/50/45/71/1069504571.db2.gz VICLSZKZGIJJKV-CRAIPNDOSA-N 1 0 404.515 -0.144 20 0 HBADRO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC(=O)N1C ZINC000551098940 1069505082 /nfs/dbraw/zinc/50/50/82/1069505082.db2.gz VICLSZKZGIJJKV-MAUKXSAKSA-N 1 0 404.515 -0.144 20 0 HBADRO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC(=O)N1C ZINC000551098941 1069505173 /nfs/dbraw/zinc/50/51/73/1069505173.db2.gz VICLSZKZGIJJKV-QAPCUYQASA-N 1 0 404.515 -0.144 20 0 HBADRO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC(=O)N1C ZINC000551098942 1069505166 /nfs/dbraw/zinc/50/51/66/1069505166.db2.gz VICLSZKZGIJJKV-YJBOKZPZSA-N 1 0 404.515 -0.144 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000551109300 1069505517 /nfs/dbraw/zinc/50/55/17/1069505517.db2.gz ACGNTLLNKKIYDQ-KRWDZBQOSA-N 1 0 415.494 -0.573 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000551109301 1069505318 /nfs/dbraw/zinc/50/53/18/1069505318.db2.gz ACGNTLLNKKIYDQ-QGZVFWFLSA-N 1 0 415.494 -0.573 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000551109954 1069504963 /nfs/dbraw/zinc/50/49/63/1069504963.db2.gz ZNKIJDRZRKHZQP-KRWDZBQOSA-N 1 0 417.510 -0.279 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000551109957 1069505125 /nfs/dbraw/zinc/50/51/25/1069505125.db2.gz ZNKIJDRZRKHZQP-QGZVFWFLSA-N 1 0 417.510 -0.279 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C[NH+]1CCCC1 ZINC000551111119 1069505386 /nfs/dbraw/zinc/50/53/86/1069505386.db2.gz HFYADPMNFMMKGU-CYBMUJFWSA-N 1 0 401.489 -0.942 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C[NH+]1CCCC1 ZINC000551111120 1069505574 /nfs/dbraw/zinc/50/55/74/1069505574.db2.gz HFYADPMNFMMKGU-ZDUSSCGKSA-N 1 0 401.489 -0.942 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCCN(c2cccnn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551112142 1069506034 /nfs/dbraw/zinc/50/60/34/1069506034.db2.gz RSWASMVFOAGDIX-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCCN(c2cccnn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551112144 1069505904 /nfs/dbraw/zinc/50/59/04/1069505904.db2.gz RSWASMVFOAGDIX-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCCC1 ZINC000551120392 1069508883 /nfs/dbraw/zinc/50/88/83/1069508883.db2.gz APNFKHGCJHUCSG-HNNXBMFYSA-N 1 0 402.499 -0.323 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCCC1 ZINC000551120394 1069509010 /nfs/dbraw/zinc/50/90/10/1069509010.db2.gz APNFKHGCJHUCSG-OAHLLOKOSA-N 1 0 402.499 -0.323 20 0 HBADRO CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCN1CCOC ZINC000551121675 1069508983 /nfs/dbraw/zinc/50/89/83/1069508983.db2.gz JOAYJBBRGXABPR-MOPGFXCFSA-N 1 0 411.591 -0.055 20 0 HBADRO CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCN1CCOC ZINC000551121676 1069508914 /nfs/dbraw/zinc/50/89/14/1069508914.db2.gz JOAYJBBRGXABPR-OALUTQOASA-N 1 0 411.591 -0.055 20 0 HBADRO CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCN1CCOC ZINC000551121677 1069508803 /nfs/dbraw/zinc/50/88/03/1069508803.db2.gz JOAYJBBRGXABPR-RBUKOAKNSA-N 1 0 411.591 -0.055 20 0 HBADRO CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCN1CCOC ZINC000551121678 1069509090 /nfs/dbraw/zinc/50/90/90/1069509090.db2.gz JOAYJBBRGXABPR-RTBURBONSA-N 1 0 411.591 -0.055 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551121709 1069508831 /nfs/dbraw/zinc/50/88/31/1069508831.db2.gz LGAPLQYSNSYEFC-HNNXBMFYSA-N 1 0 407.494 -0.736 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551121722 1069508865 /nfs/dbraw/zinc/50/88/65/1069508865.db2.gz LGAPLQYSNSYEFC-OAHLLOKOSA-N 1 0 407.494 -0.736 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)C[NH+]1CCN(C)CC1 ZINC000551122806 1069506594 /nfs/dbraw/zinc/50/65/94/1069506594.db2.gz AIMPUMMSTFIHOG-KRWDZBQOSA-N 1 0 418.542 -0.802 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)C[NH+]1CCN(C)CC1 ZINC000551122807 1069506628 /nfs/dbraw/zinc/50/66/28/1069506628.db2.gz AIMPUMMSTFIHOG-QGZVFWFLSA-N 1 0 418.542 -0.802 20 0 HBADRO CNC(=O)C[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000551122839 1069506557 /nfs/dbraw/zinc/50/65/57/1069506557.db2.gz BESCJAOJVYRWDF-AEFFLSMTSA-N 1 0 403.527 -0.020 20 0 HBADRO CNC(=O)C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000551122841 1069506607 /nfs/dbraw/zinc/50/66/07/1069506607.db2.gz BESCJAOJVYRWDF-FUHWJXTLSA-N 1 0 403.527 -0.020 20 0 HBADRO CNC(=O)C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000551122843 1069506585 /nfs/dbraw/zinc/50/65/85/1069506585.db2.gz BESCJAOJVYRWDF-SJLPKXTDSA-N 1 0 403.527 -0.020 20 0 HBADRO CNC(=O)C[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000551122845 1069506675 /nfs/dbraw/zinc/50/66/75/1069506675.db2.gz BESCJAOJVYRWDF-WMZOPIPTSA-N 1 0 403.527 -0.020 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000551123083 1069507237 /nfs/dbraw/zinc/50/72/37/1069507237.db2.gz WVNVVKPEDMJLMI-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000551123084 1069507134 /nfs/dbraw/zinc/50/71/34/1069507134.db2.gz WVNVVKPEDMJLMI-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000551123085 1069507446 /nfs/dbraw/zinc/50/74/46/1069507446.db2.gz WVNVVKPEDMJLMI-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000551123086 1069507372 /nfs/dbraw/zinc/50/73/72/1069507372.db2.gz WVNVVKPEDMJLMI-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1)C[NH+]1CCN(C)CC1 ZINC000551123781 1069507098 /nfs/dbraw/zinc/50/70/98/1069507098.db2.gz PWIRNJYUHOBHRT-KRWDZBQOSA-N 1 0 405.547 -0.936 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1)C[NH+]1CCN(C)CC1 ZINC000551123782 1069507218 /nfs/dbraw/zinc/50/72/18/1069507218.db2.gz PWIRNJYUHOBHRT-QGZVFWFLSA-N 1 0 405.547 -0.936 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000551124316 1069507377 /nfs/dbraw/zinc/50/73/77/1069507377.db2.gz VSMDHDHEEQSWGV-GOSISDBHSA-N 1 0 424.590 -0.955 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000551124317 1069507155 /nfs/dbraw/zinc/50/71/55/1069507155.db2.gz VSMDHDHEEQSWGV-SFHVURJKSA-N 1 0 424.590 -0.955 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124727 1069507170 /nfs/dbraw/zinc/50/71/70/1069507170.db2.gz AGNLCUDLSPVELL-DLBZAZTESA-N 1 0 411.547 -0.918 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124728 1069507268 /nfs/dbraw/zinc/50/72/68/1069507268.db2.gz AGNLCUDLSPVELL-IAGOWNOFSA-N 1 0 411.547 -0.918 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124729 1069507075 /nfs/dbraw/zinc/50/70/75/1069507075.db2.gz AGNLCUDLSPVELL-IRXDYDNUSA-N 1 0 411.547 -0.918 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124730 1069507112 /nfs/dbraw/zinc/50/71/12/1069507112.db2.gz AGNLCUDLSPVELL-SJORKVTESA-N 1 0 411.547 -0.918 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000551125376 1069507243 /nfs/dbraw/zinc/50/72/43/1069507243.db2.gz IRJJHQWHYRBINH-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000551125377 1069507059 /nfs/dbraw/zinc/50/70/59/1069507059.db2.gz IRJJHQWHYRBINH-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000551126897 1069507142 /nfs/dbraw/zinc/50/71/42/1069507142.db2.gz ZMGXKPNXOKSESS-GOSISDBHSA-N 1 0 417.558 -0.047 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000551126898 1069507307 /nfs/dbraw/zinc/50/73/07/1069507307.db2.gz ZMGXKPNXOKSESS-SFHVURJKSA-N 1 0 417.558 -0.047 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(OCCOC)nc3)C2)CC1 ZINC000551136541 1069507844 /nfs/dbraw/zinc/50/78/44/1069507844.db2.gz OAHRXODNUJXAOE-GOSISDBHSA-N 1 0 419.526 -0.039 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(OCCOC)nc3)C2)CC1 ZINC000551136542 1069507825 /nfs/dbraw/zinc/50/78/25/1069507825.db2.gz OAHRXODNUJXAOE-SFHVURJKSA-N 1 0 419.526 -0.039 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)no1 ZINC000551136645 1069595028 /nfs/dbraw/zinc/59/50/28/1069595028.db2.gz ONJPMENKGYYEEZ-CVEARBPZSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)no1 ZINC000551136646 1069508376 /nfs/dbraw/zinc/50/83/76/1069508376.db2.gz ONJPMENKGYYEEZ-HOTGVXAUSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)no1 ZINC000551136647 1069508446 /nfs/dbraw/zinc/50/84/46/1069508446.db2.gz ONJPMENKGYYEEZ-HZPDHXFCSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)no1 ZINC000551136648 1069508267 /nfs/dbraw/zinc/50/82/67/1069508267.db2.gz ONJPMENKGYYEEZ-JKSUJKDBSA-N 1 0 418.498 -0.191 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccnc3OCCOC)C2)CC1 ZINC000551137043 1069508303 /nfs/dbraw/zinc/50/83/03/1069508303.db2.gz TUJHXDHISIFSMT-GOSISDBHSA-N 1 0 419.526 -0.039 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccnc3OCCOC)C2)CC1 ZINC000551137045 1069508420 /nfs/dbraw/zinc/50/84/20/1069508420.db2.gz TUJHXDHISIFSMT-SFHVURJKSA-N 1 0 419.526 -0.039 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000551139846 1069511190 /nfs/dbraw/zinc/51/11/90/1069511190.db2.gz IZHUTWNLCSQUOI-CABCVRRESA-N 1 0 406.487 -0.397 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000551139847 1069511282 /nfs/dbraw/zinc/51/12/82/1069511282.db2.gz IZHUTWNLCSQUOI-GJZGRUSLSA-N 1 0 406.487 -0.397 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000551139848 1069511121 /nfs/dbraw/zinc/51/11/21/1069511121.db2.gz IZHUTWNLCSQUOI-HUUCEWRRSA-N 1 0 406.487 -0.397 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000551139849 1069511236 /nfs/dbraw/zinc/51/12/36/1069511236.db2.gz IZHUTWNLCSQUOI-LSDHHAIUSA-N 1 0 406.487 -0.397 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551143333 1069508790 /nfs/dbraw/zinc/50/87/90/1069508790.db2.gz JHQARQUVOCLDLU-BZSNNMDCSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551143334 1069508775 /nfs/dbraw/zinc/50/87/75/1069508775.db2.gz JHQARQUVOCLDLU-KSZLIROESA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551143335 1069508960 /nfs/dbraw/zinc/50/89/60/1069508960.db2.gz JHQARQUVOCLDLU-OKZBNKHCSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551143336 1069509048 /nfs/dbraw/zinc/50/90/48/1069509048.db2.gz JHQARQUVOCLDLU-RCCFBDPRSA-N 1 0 423.558 -0.585 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1c1nccn2cnnc12 ZINC000551144853 1069509471 /nfs/dbraw/zinc/50/94/71/1069509471.db2.gz VTVXDUHEUFGDGB-BZUAXINKSA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1c1nccn2cnnc12 ZINC000551144854 1069509443 /nfs/dbraw/zinc/50/94/43/1069509443.db2.gz VTVXDUHEUFGDGB-OAGGEKHMSA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1c1nccn2cnnc12 ZINC000551144855 1069509572 /nfs/dbraw/zinc/50/95/72/1069509572.db2.gz VTVXDUHEUFGDGB-OWCLPIDISA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1c1nccn2cnnc12 ZINC000551144856 1069509530 /nfs/dbraw/zinc/50/95/30/1069509530.db2.gz VTVXDUHEUFGDGB-PMPSAXMXSA-N 1 0 412.498 -0.096 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000551145541 1069509457 /nfs/dbraw/zinc/50/94/57/1069509457.db2.gz PFYSSTSYNSKSKE-BBWFWOEESA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000551145543 1069509479 /nfs/dbraw/zinc/50/94/79/1069509479.db2.gz PFYSSTSYNSKSKE-IKGGRYGDSA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000551145544 1069509498 /nfs/dbraw/zinc/50/94/98/1069509498.db2.gz PFYSSTSYNSKSKE-ULQDDVLXSA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000551145545 1069509426 /nfs/dbraw/zinc/50/94/26/1069509426.db2.gz PFYSSTSYNSKSKE-ZACQAIPSSA-N 1 0 423.539 -0.056 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551145686 1069509551 /nfs/dbraw/zinc/50/95/51/1069509551.db2.gz UBGDGMRARWSGJB-KBPBESRZSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551145688 1069509511 /nfs/dbraw/zinc/50/95/11/1069509511.db2.gz UBGDGMRARWSGJB-KGLIPLIRSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551145689 1069509404 /nfs/dbraw/zinc/50/94/04/1069509404.db2.gz UBGDGMRARWSGJB-UONOGXRCSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551145690 1069509420 /nfs/dbraw/zinc/50/94/20/1069509420.db2.gz UBGDGMRARWSGJB-ZIAGYGMSSA-N 1 0 404.558 -0.776 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147899 1069509979 /nfs/dbraw/zinc/50/99/79/1069509979.db2.gz DTAZQHNIYALYGA-DOTOQJQBSA-N 1 0 408.547 -0.561 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147908 1069510239 /nfs/dbraw/zinc/51/02/39/1069510239.db2.gz DTAZQHNIYALYGA-NVXWUHKLSA-N 1 0 408.547 -0.561 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147909 1069510012 /nfs/dbraw/zinc/51/00/12/1069510012.db2.gz DTAZQHNIYALYGA-RDJZCZTQSA-N 1 0 408.547 -0.561 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147910 1069510068 /nfs/dbraw/zinc/51/00/68/1069510068.db2.gz DTAZQHNIYALYGA-WBVHZDCISA-N 1 0 408.547 -0.561 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1)C[NH+]1CCN(C)CC1 ZINC000551150945 1069509937 /nfs/dbraw/zinc/50/99/37/1069509937.db2.gz GKIQASSSJDHNAG-GOSISDBHSA-N 1 0 402.543 -0.275 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1)C[NH+]1CCN(C)CC1 ZINC000551150946 1069509997 /nfs/dbraw/zinc/50/99/97/1069509997.db2.gz GKIQASSSJDHNAG-SFHVURJKSA-N 1 0 402.543 -0.275 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000551151489 1069510680 /nfs/dbraw/zinc/51/06/80/1069510680.db2.gz LFYAYGPBZAHDQM-NEWSRXKRSA-N 1 0 420.558 -0.656 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000551151490 1069510706 /nfs/dbraw/zinc/51/07/06/1069510706.db2.gz LFYAYGPBZAHDQM-WDSOQIARSA-N 1 0 420.558 -0.656 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)on1 ZINC000551151906 1069510779 /nfs/dbraw/zinc/51/07/79/1069510779.db2.gz KZYOIFFUCGNUPI-INIZCTEOSA-N 1 0 406.531 -0.373 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)on1 ZINC000551151907 1069510557 /nfs/dbraw/zinc/51/05/57/1069510557.db2.gz KZYOIFFUCGNUPI-MRXNPFEDSA-N 1 0 406.531 -0.373 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000551152775 1069510546 /nfs/dbraw/zinc/51/05/46/1069510546.db2.gz SRSGORATCUQYER-IBGZPJMESA-N 1 0 411.591 -0.055 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000551152777 1069510641 /nfs/dbraw/zinc/51/06/41/1069510641.db2.gz SRSGORATCUQYER-LJQANCHMSA-N 1 0 411.591 -0.055 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)n1 ZINC000551159892 1069513495 /nfs/dbraw/zinc/51/34/95/1069513495.db2.gz WFOCFNBXZKEUSE-UHFFFAOYSA-N 1 0 423.587 -0.107 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000551163722 1069513472 /nfs/dbraw/zinc/51/34/72/1069513472.db2.gz RUFSAHYCNFJIGY-UHFFFAOYSA-N 1 0 403.483 -0.405 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551164333 1069513587 /nfs/dbraw/zinc/51/35/87/1069513587.db2.gz KDXGRXNTFLYQDA-KRWDZBQOSA-N 1 0 411.547 -0.726 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551164337 1069513538 /nfs/dbraw/zinc/51/35/38/1069513538.db2.gz KDXGRXNTFLYQDA-QGZVFWFLSA-N 1 0 411.547 -0.726 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000551164543 1069513463 /nfs/dbraw/zinc/51/34/63/1069513463.db2.gz WNWDPGIBMSAQCD-HOTGVXAUSA-N 1 0 402.561 -0.036 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000551164545 1069513620 /nfs/dbraw/zinc/51/36/20/1069513620.db2.gz WNWDPGIBMSAQCD-HZPDHXFCSA-N 1 0 402.561 -0.036 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000551164547 1069513308 /nfs/dbraw/zinc/51/33/08/1069513308.db2.gz WNWDPGIBMSAQCD-IYBDPMFKSA-N 1 0 402.561 -0.036 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1=O ZINC000551164739 1069513360 /nfs/dbraw/zinc/51/33/60/1069513360.db2.gz NONQMWJXGJLSDF-INIZCTEOSA-N 1 0 420.514 -0.257 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1=O ZINC000551164740 1069513436 /nfs/dbraw/zinc/51/34/36/1069513436.db2.gz NONQMWJXGJLSDF-MRXNPFEDSA-N 1 0 420.514 -0.257 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165192 1069514065 /nfs/dbraw/zinc/51/40/65/1069514065.db2.gz RUPIGTSVRMVMNV-INIZCTEOSA-N 1 0 409.531 -0.974 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000551165193 1069513948 /nfs/dbraw/zinc/51/39/48/1069513948.db2.gz RUPIGTSVRMVMNV-MRXNPFEDSA-N 1 0 409.531 -0.974 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000551165757 1069513888 /nfs/dbraw/zinc/51/38/88/1069513888.db2.gz XZFYLZDFAPKWSX-UHFFFAOYSA-N 1 0 424.590 -0.857 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)n1 ZINC000551165899 1069513404 /nfs/dbraw/zinc/51/34/04/1069513404.db2.gz UJQVHJVGPDRHJF-UHFFFAOYSA-N 1 0 403.531 -0.423 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000551166358 1069513826 /nfs/dbraw/zinc/51/38/26/1069513826.db2.gz YRGRZKWOQAOLAS-CYBMUJFWSA-N 1 0 408.421 -0.116 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000551166359 1069514083 /nfs/dbraw/zinc/51/40/83/1069514083.db2.gz YRGRZKWOQAOLAS-ZDUSSCGKSA-N 1 0 408.421 -0.116 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551166493 1069514204 /nfs/dbraw/zinc/51/42/04/1069514204.db2.gz NOSPPZLARJPWQA-KRWDZBQOSA-N 1 0 405.547 -0.351 20 0 HBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551166494 1069514225 /nfs/dbraw/zinc/51/42/25/1069514225.db2.gz NOSPPZLARJPWQA-QGZVFWFLSA-N 1 0 405.547 -0.351 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)no1 ZINC000551166641 1069514159 /nfs/dbraw/zinc/51/41/59/1069514159.db2.gz RVWPKWVSZVHHSF-UHFFFAOYSA-N 1 0 406.531 -0.229 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000551170866 1069512226 /nfs/dbraw/zinc/51/22/26/1069512226.db2.gz KFWPFWCALAHAPL-UHFFFAOYSA-N 1 0 405.547 -0.397 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551173059 1069512155 /nfs/dbraw/zinc/51/21/55/1069512155.db2.gz SPFCJRVWUSNKQN-KRWDZBQOSA-N 1 0 408.547 -0.417 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551173061 1069512175 /nfs/dbraw/zinc/51/21/75/1069512175.db2.gz SPFCJRVWUSNKQN-QGZVFWFLSA-N 1 0 408.547 -0.417 20 0 HBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000551179998 1069567140 /nfs/dbraw/zinc/56/71/40/1069567140.db2.gz LBCOLNWWZXOMGR-UHFFFAOYSA-N 1 0 408.484 0.238 20 0 HBADRO NC(=O)Cn1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC000551180445 1069517339 /nfs/dbraw/zinc/51/73/39/1069517339.db2.gz ZJEAROHASPMHHE-UHFFFAOYSA-N 1 0 416.507 0.537 20 0 HBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000551180543 1069599001 /nfs/dbraw/zinc/59/90/01/1069599001.db2.gz AKCDNFPJDKUTEZ-UHFFFAOYSA-N 1 0 414.466 0.557 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c(C)c2)CC1 ZINC000551181353 1069616327 /nfs/dbraw/zinc/61/63/27/1069616327.db2.gz UDYRFURMMBNSCM-UHFFFAOYSA-N 1 0 413.482 0.396 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551187192 1069515739 /nfs/dbraw/zinc/51/57/39/1069515739.db2.gz DMUQAANQBMCSGQ-GOSISDBHSA-N 1 0 415.538 -0.049 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551187193 1069515865 /nfs/dbraw/zinc/51/58/65/1069515865.db2.gz DMUQAANQBMCSGQ-SFHVURJKSA-N 1 0 415.538 -0.049 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000551187230 1069515195 /nfs/dbraw/zinc/51/51/95/1069515195.db2.gz FJDUWZQJAFGVQG-UHFFFAOYSA-N 1 0 409.556 -0.035 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000551187604 1069514997 /nfs/dbraw/zinc/51/49/97/1069514997.db2.gz KHUQLIMTPNRTBR-UHFFFAOYSA-N 1 0 407.490 -0.170 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000551187789 1069515047 /nfs/dbraw/zinc/51/50/47/1069515047.db2.gz NIZZOJHYVIOUTF-UHFFFAOYSA-N 1 0 418.498 -0.935 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000551187941 1069514619 /nfs/dbraw/zinc/51/46/19/1069514619.db2.gz PWFDQYMWPULLNQ-UHFFFAOYSA-N 1 0 407.490 -0.300 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000551188044 1069514654 /nfs/dbraw/zinc/51/46/54/1069514654.db2.gz ZHCBTBGCPUJGMD-UHFFFAOYSA-N 1 0 403.527 -0.049 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000551188053 1069514682 /nfs/dbraw/zinc/51/46/82/1069514682.db2.gz ZQXLNWGVGUIBOG-UHFFFAOYSA-N 1 0 419.526 -0.430 20 0 HBADRO C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000551188176 1069515856 /nfs/dbraw/zinc/51/58/56/1069515856.db2.gz XTVKUBVYDALCDC-PBHICJAKSA-N 1 0 405.480 -0.047 20 0 HBADRO C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000551188177 1069515711 /nfs/dbraw/zinc/51/57/11/1069515711.db2.gz XTVKUBVYDALCDC-RHSMWYFYSA-N 1 0 405.480 -0.047 20 0 HBADRO C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000551188178 1069515804 /nfs/dbraw/zinc/51/58/04/1069515804.db2.gz XTVKUBVYDALCDC-WMLDXEAASA-N 1 0 405.480 -0.047 20 0 HBADRO C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000551188179 1069515647 /nfs/dbraw/zinc/51/56/47/1069515647.db2.gz XTVKUBVYDALCDC-YOEHRIQHSA-N 1 0 405.480 -0.047 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000551189219 1069515565 /nfs/dbraw/zinc/51/55/65/1069515565.db2.gz SLZLRAXQRDQRHH-KRWDZBQOSA-N 1 0 407.490 -0.129 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000551189220 1069515830 /nfs/dbraw/zinc/51/58/30/1069515830.db2.gz SLZLRAXQRDQRHH-QGZVFWFLSA-N 1 0 407.490 -0.129 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551191487 1069516660 /nfs/dbraw/zinc/51/66/60/1069516660.db2.gz BCWAAMQFLMPDJR-UHFFFAOYSA-N 1 0 424.590 -0.765 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000551196988 1069518460 /nfs/dbraw/zinc/51/84/60/1069518460.db2.gz LSFRDBOGFCCJRQ-UHFFFAOYSA-N 1 0 415.542 -0.295 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198235 1069519063 /nfs/dbraw/zinc/51/90/63/1069519063.db2.gz WOGOPVUTNYEUGC-GOSISDBHSA-N 1 0 421.517 -0.099 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198236 1069518976 /nfs/dbraw/zinc/51/89/76/1069518976.db2.gz WOGOPVUTNYEUGC-SFHVURJKSA-N 1 0 421.517 -0.099 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551198521 1069518594 /nfs/dbraw/zinc/51/85/94/1069518594.db2.gz YRXUBHVZAGKBCU-GOSISDBHSA-N 1 0 417.558 -0.049 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203560 1069519644 /nfs/dbraw/zinc/51/96/44/1069519644.db2.gz AIPNMDKTHXMGJC-MSOLQXFVSA-N 1 0 415.542 -0.200 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203561 1069519447 /nfs/dbraw/zinc/51/94/47/1069519447.db2.gz AIPNMDKTHXMGJC-QZTJIDSGSA-N 1 0 415.542 -0.200 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203562 1069519543 /nfs/dbraw/zinc/51/95/43/1069519543.db2.gz AIPNMDKTHXMGJC-ROUUACIJSA-N 1 0 415.542 -0.200 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551203563 1069520061 /nfs/dbraw/zinc/52/00/61/1069520061.db2.gz AIPNMDKTHXMGJC-ZWKOTPCHSA-N 1 0 415.542 -0.200 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551203816 1069519636 /nfs/dbraw/zinc/51/96/36/1069519636.db2.gz BTPSNGROXSPJHU-UHFFFAOYSA-N 1 0 417.558 -0.049 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204255 1069521266 /nfs/dbraw/zinc/52/12/66/1069521266.db2.gz CDYQHRFVGDIHLN-KRWDZBQOSA-N 1 0 403.531 -0.295 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204257 1069521497 /nfs/dbraw/zinc/52/14/97/1069521497.db2.gz CDYQHRFVGDIHLN-QGZVFWFLSA-N 1 0 403.531 -0.295 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204299 1069521415 /nfs/dbraw/zinc/52/14/15/1069521415.db2.gz NNWNHKKANHFPSU-DOTOQJQBSA-N 1 0 401.515 -0.686 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204300 1069521309 /nfs/dbraw/zinc/52/13/09/1069521309.db2.gz NNWNHKKANHFPSU-NVXWUHKLSA-N 1 0 401.515 -0.686 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204301 1069521526 /nfs/dbraw/zinc/52/15/26/1069521526.db2.gz NNWNHKKANHFPSU-RDJZCZTQSA-N 1 0 401.515 -0.686 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204302 1069521451 /nfs/dbraw/zinc/52/14/51/1069521451.db2.gz NNWNHKKANHFPSU-WBVHZDCISA-N 1 0 401.515 -0.686 20 0 HBADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204367 1069520802 /nfs/dbraw/zinc/52/08/02/1069520802.db2.gz KLDQQKWPPQAAAN-DLBZAZTESA-N 1 0 403.531 -0.487 20 0 HBADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204368 1069520733 /nfs/dbraw/zinc/52/07/33/1069520733.db2.gz KLDQQKWPPQAAAN-IAGOWNOFSA-N 1 0 403.531 -0.487 20 0 HBADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204369 1069520924 /nfs/dbraw/zinc/52/09/24/1069520924.db2.gz KLDQQKWPPQAAAN-IRXDYDNUSA-N 1 0 403.531 -0.487 20 0 HBADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204370 1069520952 /nfs/dbraw/zinc/52/09/52/1069520952.db2.gz KLDQQKWPPQAAAN-SJORKVTESA-N 1 0 403.531 -0.487 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000551204636 1069519992 /nfs/dbraw/zinc/51/99/92/1069519992.db2.gz RQEFWJRIIVFBLM-CVEARBPZSA-N 1 0 401.515 -0.544 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000551204637 1069520866 /nfs/dbraw/zinc/52/08/66/1069520866.db2.gz RQEFWJRIIVFBLM-HOTGVXAUSA-N 1 0 401.515 -0.544 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000551204638 1069520591 /nfs/dbraw/zinc/52/05/91/1069520591.db2.gz RQEFWJRIIVFBLM-HZPDHXFCSA-N 1 0 401.515 -0.544 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000551204639 1069520832 /nfs/dbraw/zinc/52/08/32/1069520832.db2.gz RQEFWJRIIVFBLM-JKSUJKDBSA-N 1 0 401.515 -0.544 20 0 HBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204651 1069520694 /nfs/dbraw/zinc/52/06/94/1069520694.db2.gz RZGSQKKZIWJPFE-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000551204652 1069520746 /nfs/dbraw/zinc/52/07/46/1069520746.db2.gz RZGSQKKZIWJPFE-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000551204765 1069520211 /nfs/dbraw/zinc/52/02/11/1069520211.db2.gz QTKMCWMTIULFGI-DLBZAZTESA-N 1 0 401.515 -0.733 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000551204766 1069520121 /nfs/dbraw/zinc/52/01/21/1069520121.db2.gz QTKMCWMTIULFGI-IAGOWNOFSA-N 1 0 401.515 -0.733 20 0 HBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000551204767 1069519973 /nfs/dbraw/zinc/51/99/73/1069519973.db2.gz QTKMCWMTIULFGI-IRXDYDNUSA-N 1 0 401.515 -0.733 20 0 HBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000551204768 1069520280 /nfs/dbraw/zinc/52/02/80/1069520280.db2.gz QTKMCWMTIULFGI-SJORKVTESA-N 1 0 401.515 -0.733 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204977 1069520158 /nfs/dbraw/zinc/52/01/58/1069520158.db2.gz UPPAVPAKHNVOPP-KRWDZBQOSA-N 1 0 403.531 -0.437 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551204979 1069520247 /nfs/dbraw/zinc/52/02/47/1069520247.db2.gz UPPAVPAKHNVOPP-QGZVFWFLSA-N 1 0 403.531 -0.437 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551205144 1069520014 /nfs/dbraw/zinc/52/00/14/1069520014.db2.gz SUBCBWZURMRQSI-UHFFFAOYSA-N 1 0 415.542 -0.295 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551205389 1069521243 /nfs/dbraw/zinc/52/12/43/1069521243.db2.gz XYHLIBXTDLPFNX-GOSISDBHSA-N 1 0 417.558 -0.191 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000551205390 1069521253 /nfs/dbraw/zinc/52/12/53/1069521253.db2.gz XYHLIBXTDLPFNX-SFHVURJKSA-N 1 0 417.558 -0.191 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551211197 1069522639 /nfs/dbraw/zinc/52/26/39/1069522639.db2.gz FPVLDNNZXGZXDV-BBRMVZONSA-N 1 0 406.574 -0.531 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551211200 1069522596 /nfs/dbraw/zinc/52/25/96/1069522596.db2.gz FPVLDNNZXGZXDV-CJNGLKHVSA-N 1 0 406.574 -0.531 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551211201 1069522537 /nfs/dbraw/zinc/52/25/37/1069522537.db2.gz FPVLDNNZXGZXDV-CZUORRHYSA-N 1 0 406.574 -0.531 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551211202 1069522487 /nfs/dbraw/zinc/52/24/87/1069522487.db2.gz FPVLDNNZXGZXDV-XJKSGUPXSA-N 1 0 406.574 -0.531 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CCSC1 ZINC000551221042 1069523461 /nfs/dbraw/zinc/52/34/61/1069523461.db2.gz HWXWTWQDEQKHAQ-GOSISDBHSA-N 1 0 410.544 -0.559 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CCSC1 ZINC000551221049 1069523541 /nfs/dbraw/zinc/52/35/41/1069523541.db2.gz HWXWTWQDEQKHAQ-SFHVURJKSA-N 1 0 410.544 -0.559 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000551222019 1069554751 /nfs/dbraw/zinc/55/47/51/1069554751.db2.gz ODGIRINWVFSALZ-AWEZNQCLSA-N 1 0 416.448 0.381 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000551222020 1069554937 /nfs/dbraw/zinc/55/49/37/1069554937.db2.gz ODGIRINWVFSALZ-CQSZACIVSA-N 1 0 416.448 0.381 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000551268391 1069530074 /nfs/dbraw/zinc/53/00/74/1069530074.db2.gz CVKFSIAPCPGAHZ-UHFFFAOYSA-N 1 0 402.459 -0.289 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551280718 1069531741 /nfs/dbraw/zinc/53/17/41/1069531741.db2.gz PZRKEFXSBLMHRU-CYBMUJFWSA-N 1 0 404.558 -0.918 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551280719 1069531522 /nfs/dbraw/zinc/53/15/22/1069531522.db2.gz PZRKEFXSBLMHRU-ZDUSSCGKSA-N 1 0 404.558 -0.918 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc1 ZINC000551281770 1069532339 /nfs/dbraw/zinc/53/23/39/1069532339.db2.gz HSRQELLELAVUIY-AWEZNQCLSA-N 1 0 400.483 -0.570 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc1 ZINC000551281771 1069532142 /nfs/dbraw/zinc/53/21/42/1069532142.db2.gz HSRQELLELAVUIY-CQSZACIVSA-N 1 0 400.483 -0.570 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551282127 1069531586 /nfs/dbraw/zinc/53/15/86/1069531586.db2.gz RYJVIFZHYPHKBZ-DLBZAZTESA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551282128 1069531688 /nfs/dbraw/zinc/53/16/88/1069531688.db2.gz RYJVIFZHYPHKBZ-IAGOWNOFSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551282129 1069532290 /nfs/dbraw/zinc/53/22/90/1069532290.db2.gz RYJVIFZHYPHKBZ-IRXDYDNUSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551282130 1069532246 /nfs/dbraw/zinc/53/22/46/1069532246.db2.gz RYJVIFZHYPHKBZ-SJORKVTESA-N 1 0 405.543 -0.258 20 0 HBADRO Cn1nccc1CNC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000551283824 1069532738 /nfs/dbraw/zinc/53/27/38/1069532738.db2.gz WNBIGYDRLBWYCH-UHFFFAOYSA-N 1 0 404.515 -0.123 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000551283964 1069531994 /nfs/dbraw/zinc/53/19/94/1069531994.db2.gz DKEJRVOGZIIAFJ-UHFFFAOYSA-N 1 0 415.494 -0.686 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000551284336 1069532694 /nfs/dbraw/zinc/53/26/94/1069532694.db2.gz GAKXLXDZWROCBG-UHFFFAOYSA-N 1 0 411.524 -0.118 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC000551285070 1069670113 /nfs/dbraw/zinc/67/01/13/1069670113.db2.gz ZNYOCIROHUXPET-UHFFFAOYSA-N 1 0 403.512 0.147 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000551287033 1069532750 /nfs/dbraw/zinc/53/27/50/1069532750.db2.gz ZTWZTWYGDHDJMZ-UHFFFAOYSA-N 1 0 414.510 -0.180 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000551287787 1069532777 /nfs/dbraw/zinc/53/27/77/1069532777.db2.gz YKVXUDXNHZVATR-UHFFFAOYSA-N 1 0 423.495 -0.412 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)C2)CC1 ZINC000551304555 1069533327 /nfs/dbraw/zinc/53/33/27/1069533327.db2.gz IISRMCIYVVPONP-KRWDZBQOSA-N 1 0 422.551 -0.185 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)C2)CC1 ZINC000551304556 1069533256 /nfs/dbraw/zinc/53/32/56/1069533256.db2.gz IISRMCIYVVPONP-QGZVFWFLSA-N 1 0 422.551 -0.185 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551319189 1069534047 /nfs/dbraw/zinc/53/40/47/1069534047.db2.gz JNPABMKYPZNMOR-HNNXBMFYSA-N 1 0 406.549 -0.609 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551319190 1069534036 /nfs/dbraw/zinc/53/40/36/1069534036.db2.gz JNPABMKYPZNMOR-OAHLLOKOSA-N 1 0 406.549 -0.609 20 0 HBADRO CN(CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000551319968 1069534740 /nfs/dbraw/zinc/53/47/40/1069534740.db2.gz CPWJHBAJCOXNIN-AWEZNQCLSA-N 1 0 421.464 -0.248 20 0 HBADRO CN(CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000551319969 1069534589 /nfs/dbraw/zinc/53/45/89/1069534589.db2.gz CPWJHBAJCOXNIN-CQSZACIVSA-N 1 0 421.464 -0.248 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000551322005 1069535099 /nfs/dbraw/zinc/53/50/99/1069535099.db2.gz KSSSCSQYRAVQDH-HNNXBMFYSA-N 1 0 404.533 -0.903 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000551322010 1069535012 /nfs/dbraw/zinc/53/50/12/1069535012.db2.gz KSSSCSQYRAVQDH-OAHLLOKOSA-N 1 0 404.533 -0.903 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000551322335 1069536295 /nfs/dbraw/zinc/53/62/95/1069536295.db2.gz HFUPNSLJDMTTCY-INIZCTEOSA-N 1 0 402.561 -0.036 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000551322336 1069536330 /nfs/dbraw/zinc/53/63/30/1069536330.db2.gz HFUPNSLJDMTTCY-MRXNPFEDSA-N 1 0 402.561 -0.036 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)C2)CC1 ZINC000551322773 1069536149 /nfs/dbraw/zinc/53/61/49/1069536149.db2.gz SACAQJLPPXLWBN-INIZCTEOSA-N 1 0 417.576 -0.987 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)C2)CC1 ZINC000551322774 1069536134 /nfs/dbraw/zinc/53/61/34/1069536134.db2.gz SACAQJLPPXLWBN-MRXNPFEDSA-N 1 0 417.576 -0.987 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000551331305 1069536711 /nfs/dbraw/zinc/53/67/11/1069536711.db2.gz OENAGXNHJBITFD-UHFFFAOYSA-N 1 0 418.542 -0.109 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000551334189 1069535586 /nfs/dbraw/zinc/53/55/86/1069535586.db2.gz NJOGAIGGBPVNAR-KRWDZBQOSA-N 1 0 416.526 -0.357 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000551334193 1069535696 /nfs/dbraw/zinc/53/56/96/1069535696.db2.gz NJOGAIGGBPVNAR-QGZVFWFLSA-N 1 0 416.526 -0.357 20 0 HBADRO Cc1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)nc(N2CCCC2)n1 ZINC000551343879 1069574472 /nfs/dbraw/zinc/57/44/72/1069574472.db2.gz FPMQLBFSTQKUHO-UHFFFAOYSA-N 1 0 400.487 0.398 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000551355129 1069537796 /nfs/dbraw/zinc/53/77/96/1069537796.db2.gz FTKGIFOZTHJWDK-DOTOQJQBSA-N 1 0 404.515 -0.027 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000551355130 1069537818 /nfs/dbraw/zinc/53/78/18/1069537818.db2.gz FTKGIFOZTHJWDK-NVXWUHKLSA-N 1 0 404.515 -0.027 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000551355132 1069537693 /nfs/dbraw/zinc/53/76/93/1069537693.db2.gz FTKGIFOZTHJWDK-RDJZCZTQSA-N 1 0 404.515 -0.027 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000551355134 1069538193 /nfs/dbraw/zinc/53/81/93/1069538193.db2.gz FTKGIFOZTHJWDK-WBVHZDCISA-N 1 0 404.515 -0.027 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)cnc2n(C)c1=O ZINC000551370460 1069538210 /nfs/dbraw/zinc/53/82/10/1069538210.db2.gz IIERSKLEQHDFSH-IBGZPJMESA-N 1 0 400.439 -0.875 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cnc2n(C)c1=O ZINC000551370464 1069538353 /nfs/dbraw/zinc/53/83/53/1069538353.db2.gz IIERSKLEQHDFSH-LJQANCHMSA-N 1 0 400.439 -0.875 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000551370542 1069538317 /nfs/dbraw/zinc/53/83/17/1069538317.db2.gz JYERLAMXUPLFMU-FQEVSTJZSA-N 1 0 401.467 -0.345 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000551370543 1069538173 /nfs/dbraw/zinc/53/81/73/1069538173.db2.gz JYERLAMXUPLFMU-HXUWFJFHSA-N 1 0 401.467 -0.345 20 0 HBADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000551375761 1069539647 /nfs/dbraw/zinc/53/96/47/1069539647.db2.gz JXSUDFDXSCKMKE-DOTOQJQBSA-N 1 0 402.499 -0.321 20 0 HBADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000551375762 1069539550 /nfs/dbraw/zinc/53/95/50/1069539550.db2.gz JXSUDFDXSCKMKE-NVXWUHKLSA-N 1 0 402.499 -0.321 20 0 HBADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000551375763 1069539710 /nfs/dbraw/zinc/53/97/10/1069539710.db2.gz JXSUDFDXSCKMKE-RDJZCZTQSA-N 1 0 402.499 -0.321 20 0 HBADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000551375765 1069539574 /nfs/dbraw/zinc/53/95/74/1069539574.db2.gz JXSUDFDXSCKMKE-WBVHZDCISA-N 1 0 402.499 -0.321 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC000551384586 1069539594 /nfs/dbraw/zinc/53/95/94/1069539594.db2.gz XKGAARCXRZADOM-INIZCTEOSA-N 1 0 412.556 -0.172 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC000551384587 1069539696 /nfs/dbraw/zinc/53/96/96/1069539696.db2.gz XKGAARCXRZADOM-MRXNPFEDSA-N 1 0 412.556 -0.172 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000551418943 1069543598 /nfs/dbraw/zinc/54/35/98/1069543598.db2.gz IIHDUCIGOFCHGS-INIZCTEOSA-N 1 0 401.467 -0.121 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000551418945 1069543849 /nfs/dbraw/zinc/54/38/49/1069543849.db2.gz IIHDUCIGOFCHGS-MRXNPFEDSA-N 1 0 401.467 -0.121 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000551419081 1069543522 /nfs/dbraw/zinc/54/35/22/1069543522.db2.gz SSISEDJBHNFPAZ-UHFFFAOYSA-N 1 0 404.471 -0.031 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000551421077 1069543747 /nfs/dbraw/zinc/54/37/47/1069543747.db2.gz VJGBTXDECVZPJL-GASCZTMLSA-N 1 0 402.455 -0.549 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000551430639 1069545500 /nfs/dbraw/zinc/54/55/00/1069545500.db2.gz GEXJPVYEEYWQPF-UHFFFAOYSA-N 1 0 412.512 -0.608 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000551433423 1069544348 /nfs/dbraw/zinc/54/43/48/1069544348.db2.gz ADPHQGIKUDTRAX-BLLLJJGKSA-N 1 0 401.467 -0.219 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000551433427 1069544254 /nfs/dbraw/zinc/54/42/54/1069544254.db2.gz ADPHQGIKUDTRAX-LRDDRELGSA-N 1 0 401.467 -0.219 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000551433429 1069544391 /nfs/dbraw/zinc/54/43/91/1069544391.db2.gz ADPHQGIKUDTRAX-MLGOLLRUSA-N 1 0 401.467 -0.219 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000551433430 1069544320 /nfs/dbraw/zinc/54/43/20/1069544320.db2.gz ADPHQGIKUDTRAX-WBMJQRKESA-N 1 0 401.467 -0.219 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000551471418 1069548869 /nfs/dbraw/zinc/54/88/69/1069548869.db2.gz DSXXLXZKIGIOHR-KRWDZBQOSA-N 1 0 407.559 -0.153 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000551471419 1069548953 /nfs/dbraw/zinc/54/89/53/1069548953.db2.gz DSXXLXZKIGIOHR-QGZVFWFLSA-N 1 0 407.559 -0.153 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551472731 1069549461 /nfs/dbraw/zinc/54/94/61/1069549461.db2.gz WXACOSGYRREMOD-MOPGFXCFSA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551472732 1069549498 /nfs/dbraw/zinc/54/94/98/1069549498.db2.gz WXACOSGYRREMOD-OALUTQOASA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551472733 1069549362 /nfs/dbraw/zinc/54/93/62/1069549362.db2.gz WXACOSGYRREMOD-RBUKOAKNSA-N 1 0 409.575 -0.301 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551472734 1069549415 /nfs/dbraw/zinc/54/94/15/1069549415.db2.gz WXACOSGYRREMOD-RTBURBONSA-N 1 0 409.575 -0.301 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000551479948 1069550373 /nfs/dbraw/zinc/55/03/73/1069550373.db2.gz JYWPPDVPJFJOLZ-HNNXBMFYSA-N 1 0 408.547 -0.003 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000551479950 1069550547 /nfs/dbraw/zinc/55/05/47/1069550547.db2.gz JYWPPDVPJFJOLZ-OAHLLOKOSA-N 1 0 408.547 -0.003 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551480512 1069550523 /nfs/dbraw/zinc/55/05/23/1069550523.db2.gz NQRSZKXSIUOFHQ-GOSISDBHSA-N 1 0 402.543 -0.275 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551480514 1069550304 /nfs/dbraw/zinc/55/03/04/1069550304.db2.gz NQRSZKXSIUOFHQ-SFHVURJKSA-N 1 0 402.543 -0.275 20 0 HBADRO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000551481030 1069550335 /nfs/dbraw/zinc/55/03/35/1069550335.db2.gz ZQABYXGBUGKEME-CVEARBPZSA-N 1 0 404.577 -0.342 20 0 HBADRO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000551481036 1069550479 /nfs/dbraw/zinc/55/04/79/1069550479.db2.gz ZQABYXGBUGKEME-HOTGVXAUSA-N 1 0 404.577 -0.342 20 0 HBADRO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000551481038 1069550640 /nfs/dbraw/zinc/55/06/40/1069550640.db2.gz ZQABYXGBUGKEME-HZPDHXFCSA-N 1 0 404.577 -0.342 20 0 HBADRO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000551481039 1069550424 /nfs/dbraw/zinc/55/04/24/1069550424.db2.gz ZQABYXGBUGKEME-JKSUJKDBSA-N 1 0 404.577 -0.342 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000551481109 1069550497 /nfs/dbraw/zinc/55/04/97/1069550497.db2.gz UBYBEOAGCYPDCU-KRWDZBQOSA-N 1 0 405.547 -0.936 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000551481110 1069550585 /nfs/dbraw/zinc/55/05/85/1069550585.db2.gz UBYBEOAGCYPDCU-QGZVFWFLSA-N 1 0 405.547 -0.936 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCCC1 ZINC000551481938 1069551024 /nfs/dbraw/zinc/55/10/24/1069551024.db2.gz BTFOYHNCHJGTNX-AWEZNQCLSA-N 1 0 406.574 -0.671 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCCC1 ZINC000551481939 1069551109 /nfs/dbraw/zinc/55/11/09/1069551109.db2.gz BTFOYHNCHJGTNX-CQSZACIVSA-N 1 0 406.574 -0.671 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000551483126 1069551086 /nfs/dbraw/zinc/55/10/86/1069551086.db2.gz VCMRZAKELVSVPT-INIZCTEOSA-N 1 0 419.530 -0.867 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000551483127 1069551132 /nfs/dbraw/zinc/55/11/32/1069551132.db2.gz VCMRZAKELVSVPT-MRXNPFEDSA-N 1 0 419.530 -0.867 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000551484427 1069551576 /nfs/dbraw/zinc/55/15/76/1069551576.db2.gz FRNPBGRUVYMLNP-MSOLQXFVSA-N 1 0 419.574 -0.105 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000551484433 1069552838 /nfs/dbraw/zinc/55/28/38/1069552838.db2.gz FRNPBGRUVYMLNP-QZTJIDSGSA-N 1 0 419.574 -0.105 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000551484438 1069552703 /nfs/dbraw/zinc/55/27/03/1069552703.db2.gz FRNPBGRUVYMLNP-ROUUACIJSA-N 1 0 419.574 -0.105 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000551484439 1069552867 /nfs/dbraw/zinc/55/28/67/1069552867.db2.gz FRNPBGRUVYMLNP-ZWKOTPCHSA-N 1 0 419.574 -0.105 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000551484804 1069552772 /nfs/dbraw/zinc/55/27/72/1069552772.db2.gz IUDNZDWUQDARQJ-KRWDZBQOSA-N 1 0 405.547 -0.094 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000551484805 1069552683 /nfs/dbraw/zinc/55/26/83/1069552683.db2.gz IUDNZDWUQDARQJ-QGZVFWFLSA-N 1 0 405.547 -0.094 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)C[NH+]1CCN(C)CC1 ZINC000551485081 1069552651 /nfs/dbraw/zinc/55/26/51/1069552651.db2.gz LJPLSRZOIHXYDC-DLBZAZTESA-N 1 0 405.547 -0.495 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)C[NH+]1CCN(C)CC1 ZINC000551485082 1069552734 /nfs/dbraw/zinc/55/27/34/1069552734.db2.gz LJPLSRZOIHXYDC-IAGOWNOFSA-N 1 0 405.547 -0.495 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)C[NH+]1CCN(C)CC1 ZINC000551485083 1069552909 /nfs/dbraw/zinc/55/29/09/1069552909.db2.gz LJPLSRZOIHXYDC-IRXDYDNUSA-N 1 0 405.547 -0.495 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)C[NH+]1CCN(C)CC1 ZINC000551485084 1069552984 /nfs/dbraw/zinc/55/29/84/1069552984.db2.gz LJPLSRZOIHXYDC-SJORKVTESA-N 1 0 405.547 -0.495 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000551485421 1069552716 /nfs/dbraw/zinc/55/27/16/1069552716.db2.gz UTPDCTNBEAGAQJ-KBPBESRZSA-N 1 0 421.464 -0.344 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000551485422 1069552669 /nfs/dbraw/zinc/55/26/69/1069552669.db2.gz UTPDCTNBEAGAQJ-KGLIPLIRSA-N 1 0 421.464 -0.344 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000551485423 1069552792 /nfs/dbraw/zinc/55/27/92/1069552792.db2.gz UTPDCTNBEAGAQJ-UONOGXRCSA-N 1 0 421.464 -0.344 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000551485424 1069552808 /nfs/dbraw/zinc/55/28/08/1069552808.db2.gz UTPDCTNBEAGAQJ-ZIAGYGMSSA-N 1 0 421.464 -0.344 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000551485594 1069552752 /nfs/dbraw/zinc/55/27/52/1069552752.db2.gz WVSPGNSHMXEIHN-GOSISDBHSA-N 1 0 417.558 -0.095 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000551485595 1069553344 /nfs/dbraw/zinc/55/33/44/1069553344.db2.gz WVSPGNSHMXEIHN-SFHVURJKSA-N 1 0 417.558 -0.095 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000551488295 1069553405 /nfs/dbraw/zinc/55/34/05/1069553405.db2.gz YUSNMVNQQCUYQX-HRCADAONSA-N 1 0 411.524 -0.095 20 0 HBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000551488296 1069553512 /nfs/dbraw/zinc/55/35/12/1069553512.db2.gz YUSNMVNQQCUYQX-OAGGEKHMSA-N 1 0 411.524 -0.095 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551489490 1069553460 /nfs/dbraw/zinc/55/34/60/1069553460.db2.gz ADZZQKQAHHVBBU-FGTMMUONSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551489498 1069554108 /nfs/dbraw/zinc/55/41/08/1069554108.db2.gz ADZZQKQAHHVBBU-KURKYZTESA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551489499 1069553943 /nfs/dbraw/zinc/55/39/43/1069553943.db2.gz ADZZQKQAHHVBBU-KZNAEPCWSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551489500 1069554008 /nfs/dbraw/zinc/55/40/08/1069554008.db2.gz ADZZQKQAHHVBBU-SQNIBIBYSA-N 1 0 405.543 -0.116 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCc3c(nnn3-c3ccccc3)C2)n1 ZINC000551490654 1069554024 /nfs/dbraw/zinc/55/40/24/1069554024.db2.gz GKRFCCVOPQPSRS-UHFFFAOYSA-N 1 0 408.466 0.549 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000551491697 1069551726 /nfs/dbraw/zinc/55/17/26/1069551726.db2.gz FNBSKGCAHRAJNU-HRCADAONSA-N 1 0 402.499 -0.230 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000551491698 1069552241 /nfs/dbraw/zinc/55/22/41/1069552241.db2.gz FNBSKGCAHRAJNU-JYJNAYRXSA-N 1 0 402.499 -0.230 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000551491699 1069552111 /nfs/dbraw/zinc/55/21/11/1069552111.db2.gz FNBSKGCAHRAJNU-OWCLPIDISA-N 1 0 402.499 -0.230 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000551491700 1069552124 /nfs/dbraw/zinc/55/21/24/1069552124.db2.gz FNBSKGCAHRAJNU-PMPSAXMXSA-N 1 0 402.499 -0.230 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000551491843 1069551742 /nfs/dbraw/zinc/55/17/42/1069551742.db2.gz COUOQXSWMBCGPQ-IBGZPJMESA-N 1 0 421.523 -0.264 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000551491844 1069551714 /nfs/dbraw/zinc/55/17/14/1069551714.db2.gz COUOQXSWMBCGPQ-LJQANCHMSA-N 1 0 421.523 -0.264 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551491872 1069551677 /nfs/dbraw/zinc/55/16/77/1069551677.db2.gz IFCILTFOOGHMHZ-DLBZAZTESA-N 1 0 401.515 -0.542 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551491873 1069551526 /nfs/dbraw/zinc/55/15/26/1069551526.db2.gz IFCILTFOOGHMHZ-IAGOWNOFSA-N 1 0 401.515 -0.542 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551491874 1069551562 /nfs/dbraw/zinc/55/15/62/1069551562.db2.gz IFCILTFOOGHMHZ-IRXDYDNUSA-N 1 0 401.515 -0.542 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551491875 1069551634 /nfs/dbraw/zinc/55/16/34/1069551634.db2.gz IFCILTFOOGHMHZ-SJORKVTESA-N 1 0 401.515 -0.542 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1)N1CCCCC1 ZINC000551496525 1069554122 /nfs/dbraw/zinc/55/41/22/1069554122.db2.gz KZKJBBFQPIXUKP-MSOLQXFVSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1)N1CCCCC1 ZINC000551496530 1069553965 /nfs/dbraw/zinc/55/39/65/1069553965.db2.gz KZKJBBFQPIXUKP-QZTJIDSGSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1)N1CCCCC1 ZINC000551496532 1069554054 /nfs/dbraw/zinc/55/40/54/1069554054.db2.gz KZKJBBFQPIXUKP-ROUUACIJSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1)N1CCCCC1 ZINC000551496534 1069553916 /nfs/dbraw/zinc/55/39/16/1069553916.db2.gz KZKJBBFQPIXUKP-ZWKOTPCHSA-N 1 0 405.543 -0.114 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551503043 1069554590 /nfs/dbraw/zinc/55/45/90/1069554590.db2.gz APNVEJJLXSUJLG-GBESFXJTSA-N 1 0 411.591 -0.056 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551503044 1069554672 /nfs/dbraw/zinc/55/46/72/1069554672.db2.gz APNVEJJLXSUJLG-QRVBRYPASA-N 1 0 411.591 -0.056 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000551503604 1069555876 /nfs/dbraw/zinc/55/58/76/1069555876.db2.gz NMGMMZXMLOYRRW-DLBZAZTESA-N 1 0 411.547 -0.870 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000551503605 1069555660 /nfs/dbraw/zinc/55/56/60/1069555660.db2.gz NMGMMZXMLOYRRW-IAGOWNOFSA-N 1 0 411.547 -0.870 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000551503606 1069555727 /nfs/dbraw/zinc/55/57/27/1069555727.db2.gz NMGMMZXMLOYRRW-IRXDYDNUSA-N 1 0 411.547 -0.870 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000551503607 1069555985 /nfs/dbraw/zinc/55/59/85/1069555985.db2.gz NMGMMZXMLOYRRW-SJORKVTESA-N 1 0 411.547 -0.870 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000551503801 1069555789 /nfs/dbraw/zinc/55/57/89/1069555789.db2.gz RGZZRCUDEQYYHI-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000551503802 1069555923 /nfs/dbraw/zinc/55/59/23/1069555923.db2.gz RGZZRCUDEQYYHI-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000551503803 1069555759 /nfs/dbraw/zinc/55/57/59/1069555759.db2.gz RGZZRCUDEQYYHI-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000551503804 1069555685 /nfs/dbraw/zinc/55/56/85/1069555685.db2.gz RGZZRCUDEQYYHI-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C[NH+]1CCN(C)CC1 ZINC000551504319 1069554416 /nfs/dbraw/zinc/55/44/16/1069554416.db2.gz ACXQOWIMXXEBSR-DLBZAZTESA-N 1 0 403.531 -0.439 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C[NH+]1CCN(C)CC1 ZINC000551504320 1069554624 /nfs/dbraw/zinc/55/46/24/1069554624.db2.gz ACXQOWIMXXEBSR-IAGOWNOFSA-N 1 0 403.531 -0.439 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)C[NH+]1CCN(C)CC1 ZINC000551504321 1069554433 /nfs/dbraw/zinc/55/44/33/1069554433.db2.gz ACXQOWIMXXEBSR-IRXDYDNUSA-N 1 0 403.531 -0.439 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)C[NH+]1CCN(C)CC1 ZINC000551504322 1069554529 /nfs/dbraw/zinc/55/45/29/1069554529.db2.gz ACXQOWIMXXEBSR-SJORKVTESA-N 1 0 403.531 -0.439 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)C[NH+]1CCN(C)CC1 ZINC000551505315 1069555942 /nfs/dbraw/zinc/55/59/42/1069555942.db2.gz MZGLZVOBINRIEM-INIZCTEOSA-N 1 0 405.499 -0.436 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)C[NH+]1CCN(C)CC1 ZINC000551505316 1069555834 /nfs/dbraw/zinc/55/58/34/1069555834.db2.gz MZGLZVOBINRIEM-MRXNPFEDSA-N 1 0 405.499 -0.436 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C[NH+]1CCCC1 ZINC000551505347 1069555904 /nfs/dbraw/zinc/55/59/04/1069555904.db2.gz NQEGPHZZXGAUBL-CVEARBPZSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C[NH+]1CCCC1 ZINC000551505348 1069555749 /nfs/dbraw/zinc/55/57/49/1069555749.db2.gz NQEGPHZZXGAUBL-HOTGVXAUSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C[NH+]1CCCC1 ZINC000551505349 1069556328 /nfs/dbraw/zinc/55/63/28/1069556328.db2.gz NQEGPHZZXGAUBL-HZPDHXFCSA-N 1 0 400.545 -0.139 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C[NH+]1CCCC1 ZINC000551505350 1069556339 /nfs/dbraw/zinc/55/63/39/1069556339.db2.gz NQEGPHZZXGAUBL-JKSUJKDBSA-N 1 0 400.545 -0.139 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cnc(N(C)C)nc2)CC1 ZINC000551506025 1069556439 /nfs/dbraw/zinc/55/64/39/1069556439.db2.gz WLGDZYPMIARKAL-INIZCTEOSA-N 1 0 405.547 -0.109 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)Cc2cnc(N(C)C)nc2)CC1 ZINC000551506026 1069556634 /nfs/dbraw/zinc/55/66/34/1069556634.db2.gz WLGDZYPMIARKAL-MRXNPFEDSA-N 1 0 405.547 -0.109 20 0 HBADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 ZINC000551506662 1069555190 /nfs/dbraw/zinc/55/51/90/1069555190.db2.gz MAHHQYJDCDIOIG-INIZCTEOSA-N 1 0 416.482 0.338 20 0 HBADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 ZINC000551506663 1069555449 /nfs/dbraw/zinc/55/54/49/1069555449.db2.gz MAHHQYJDCDIOIG-MRXNPFEDSA-N 1 0 416.482 0.338 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1)Cc1ccccc1 ZINC000551527023 1069558404 /nfs/dbraw/zinc/55/84/04/1069558404.db2.gz WMJTWAQRRJWVAF-IBGZPJMESA-N 1 0 404.511 -0.206 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1)Cc1ccccc1 ZINC000551527024 1069558387 /nfs/dbraw/zinc/55/83/87/1069558387.db2.gz WMJTWAQRRJWVAF-LJQANCHMSA-N 1 0 404.511 -0.206 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3COCCO3)c2)C1 ZINC000551534351 1069558985 /nfs/dbraw/zinc/55/89/85/1069558985.db2.gz MYOLDFSSEKBKLN-MSOLQXFVSA-N 1 0 418.494 -0.468 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3COCCO3)c2)C1 ZINC000551534352 1069558905 /nfs/dbraw/zinc/55/89/05/1069558905.db2.gz MYOLDFSSEKBKLN-QZTJIDSGSA-N 1 0 418.494 -0.468 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3COCCO3)c2)C1 ZINC000551534353 1069559071 /nfs/dbraw/zinc/55/90/71/1069559071.db2.gz MYOLDFSSEKBKLN-ROUUACIJSA-N 1 0 418.494 -0.468 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3COCCO3)c2)C1 ZINC000551534354 1069559089 /nfs/dbraw/zinc/55/90/89/1069559089.db2.gz MYOLDFSSEKBKLN-ZWKOTPCHSA-N 1 0 418.494 -0.468 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)NCC[NH+]1CCCCCC1 ZINC000551545721 1069559652 /nfs/dbraw/zinc/55/96/52/1069559652.db2.gz KUHLZSMUEOAMQJ-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1C ZINC000551546742 1069560166 /nfs/dbraw/zinc/56/01/66/1069560166.db2.gz RRRFZGOTAFLZJI-UHFFFAOYSA-N 1 0 422.486 -0.589 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)NCC[NH+]1CCCCCC1 ZINC000551546767 1069573469 /nfs/dbraw/zinc/57/34/69/1069573469.db2.gz ZOSIVTVXIYWYKY-UHFFFAOYSA-N 1 0 400.430 0.195 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1)NCC[NH+]1CCCCCC1 ZINC000551546801 1069560082 /nfs/dbraw/zinc/56/00/82/1069560082.db2.gz TWMWCERVPMYCPT-INIZCTEOSA-N 1 0 420.514 -0.034 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1)NCC[NH+]1CCCCCC1 ZINC000551546802 1069560136 /nfs/dbraw/zinc/56/01/36/1069560136.db2.gz TWMWCERVPMYCPT-MRXNPFEDSA-N 1 0 420.514 -0.034 20 0 HBADRO NC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000551546988 1069560108 /nfs/dbraw/zinc/56/01/08/1069560108.db2.gz USGLCRUFLPJIHQ-UHFFFAOYSA-N 1 0 419.482 -0.402 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)NCC[NH+]1CCCCCC1 ZINC000551547081 1069560099 /nfs/dbraw/zinc/56/00/99/1069560099.db2.gz XGTFUYCHLDWPJC-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO NC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000551547165 1069559644 /nfs/dbraw/zinc/55/96/44/1069559644.db2.gz YKTRPHVWVFZNHX-UHFFFAOYSA-N 1 0 407.446 -0.029 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)nn1 ZINC000551564759 1069561734 /nfs/dbraw/zinc/56/17/34/1069561734.db2.gz HRRKORGTHKFFKE-UHFFFAOYSA-N 1 0 402.459 -0.289 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000551600578 1069565193 /nfs/dbraw/zinc/56/51/93/1069565193.db2.gz QNPVCLPDKMTSPU-UHFFFAOYSA-N 1 0 422.530 -0.496 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000551600747 1069564526 /nfs/dbraw/zinc/56/45/26/1069564526.db2.gz SSXKENONVADCCL-UHFFFAOYSA-N 1 0 408.503 -0.886 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)CC2=O)cn1 ZINC000551614840 1069566533 /nfs/dbraw/zinc/56/65/33/1069566533.db2.gz MWSFTROXHVRRPC-KRWDZBQOSA-N 1 0 412.494 -0.116 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)CC2=O)cn1 ZINC000551614841 1069566672 /nfs/dbraw/zinc/56/66/72/1069566672.db2.gz MWSFTROXHVRRPC-QGZVFWFLSA-N 1 0 412.494 -0.116 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)cc1 ZINC000551627265 1069567979 /nfs/dbraw/zinc/56/79/79/1069567979.db2.gz NZHQVXZRUDIYRX-PMACEKPBSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)cc1 ZINC000551627266 1069567947 /nfs/dbraw/zinc/56/79/47/1069567947.db2.gz NZHQVXZRUDIYRX-UXHICEINSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)cc1 ZINC000551627267 1069568146 /nfs/dbraw/zinc/56/81/46/1069568146.db2.gz NZHQVXZRUDIYRX-VQTJNVASSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)cc1 ZINC000551627268 1069568060 /nfs/dbraw/zinc/56/80/60/1069568060.db2.gz NZHQVXZRUDIYRX-WOJBJXKFSA-N 1 0 417.554 -0.153 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000551629595 1069566698 /nfs/dbraw/zinc/56/66/98/1069566698.db2.gz SUVLIHYVCAGVEW-UHFFFAOYSA-N 1 0 402.451 -0.202 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000551629825 1069566619 /nfs/dbraw/zinc/56/66/19/1069566619.db2.gz XGHJPPHEHQVFGG-HNNXBMFYSA-N 1 0 402.451 -0.204 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000551629826 1069566716 /nfs/dbraw/zinc/56/67/16/1069566716.db2.gz XGHJPPHEHQVFGG-OAHLLOKOSA-N 1 0 402.451 -0.204 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000551635147 1069568545 /nfs/dbraw/zinc/56/85/45/1069568545.db2.gz QXTAIBUSGSDDMO-OAHLLOKOSA-N 1 0 418.560 -0.514 20 0 HBADRO CCN(CCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000551635270 1069568670 /nfs/dbraw/zinc/56/86/70/1069568670.db2.gz SSHXZYRSFHEAOX-UHFFFAOYSA-N 1 0 419.592 -0.741 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1)S(C)(=O)=O ZINC000551635547 1069568229 /nfs/dbraw/zinc/56/82/29/1069568229.db2.gz XTHKWHOYTHRVGN-INIZCTEOSA-N 1 0 418.560 -0.513 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1)S(C)(=O)=O ZINC000551635549 1069568194 /nfs/dbraw/zinc/56/81/94/1069568194.db2.gz XTHKWHOYTHRVGN-MRXNPFEDSA-N 1 0 418.560 -0.513 20 0 HBADRO CCN(CCCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)S(C)(=O)=O ZINC000551636135 1069569037 /nfs/dbraw/zinc/56/90/37/1069569037.db2.gz ZHZWOXWOGIASRB-UHFFFAOYSA-N 1 0 424.567 -0.010 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cn1 ZINC000551682937 1069572223 /nfs/dbraw/zinc/57/22/23/1069572223.db2.gz GALIZURACPANRB-BFYDXBDKSA-N 1 0 420.514 -0.227 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cn1 ZINC000551682938 1069572053 /nfs/dbraw/zinc/57/20/53/1069572053.db2.gz GALIZURACPANRB-HLLBOEOZSA-N 1 0 420.514 -0.227 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cn1 ZINC000551682939 1069572130 /nfs/dbraw/zinc/57/21/30/1069572130.db2.gz GALIZURACPANRB-YQQAZPJKSA-N 1 0 420.514 -0.227 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cn1 ZINC000551682940 1069572239 /nfs/dbraw/zinc/57/22/39/1069572239.db2.gz GALIZURACPANRB-ZMSDIMECSA-N 1 0 420.514 -0.227 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)nn2)CC1 ZINC000551708740 1069611147 /nfs/dbraw/zinc/61/11/47/1069611147.db2.gz KLJPHTMQOZSQGA-UHFFFAOYSA-N 1 0 420.514 0.510 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)nn1 ZINC000551716299 1069569905 /nfs/dbraw/zinc/56/99/05/1069569905.db2.gz FMJMBFDJCJMPGV-UHFFFAOYSA-N 1 0 406.487 0.119 20 0 HBADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000551723747 1069576341 /nfs/dbraw/zinc/57/63/41/1069576341.db2.gz FUMYZJUAPHBLEH-DRMAHVMPSA-N 1 0 413.540 -0.172 20 0 HBADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000551723749 1069576303 /nfs/dbraw/zinc/57/63/03/1069576303.db2.gz FUMYZJUAPHBLEH-FPXQBCRKSA-N 1 0 413.540 -0.172 20 0 HBADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000551723751 1069576219 /nfs/dbraw/zinc/57/62/19/1069576219.db2.gz FUMYZJUAPHBLEH-IUVQAAGXSA-N 1 0 413.540 -0.172 20 0 HBADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000551723753 1069576352 /nfs/dbraw/zinc/57/63/52/1069576352.db2.gz FUMYZJUAPHBLEH-PASDCYSWSA-N 1 0 413.540 -0.172 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000551731431 1069577585 /nfs/dbraw/zinc/57/75/85/1069577585.db2.gz SQCUYRCYKMURDO-BBRMVZONSA-N 1 0 401.467 -0.265 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000551731432 1069577730 /nfs/dbraw/zinc/57/77/30/1069577730.db2.gz SQCUYRCYKMURDO-CJNGLKHVSA-N 1 0 401.467 -0.265 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000551731433 1069577851 /nfs/dbraw/zinc/57/78/51/1069577851.db2.gz SQCUYRCYKMURDO-CZUORRHYSA-N 1 0 401.467 -0.265 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000551731434 1069577884 /nfs/dbraw/zinc/57/78/84/1069577884.db2.gz SQCUYRCYKMURDO-XJKSGUPXSA-N 1 0 401.467 -0.265 20 0 HBADRO COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)nn1 ZINC000551733400 1069577673 /nfs/dbraw/zinc/57/76/73/1069577673.db2.gz CCECNOVVQDHRHL-UHFFFAOYSA-N 1 0 404.427 -0.110 20 0 HBADRO COc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nn1 ZINC000551739600 1069641678 /nfs/dbraw/zinc/64/16/78/1069641678.db2.gz FNZIQWNEFZVYSH-HNNXBMFYSA-N 1 0 414.466 -0.171 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000551765429 1069580850 /nfs/dbraw/zinc/58/08/50/1069580850.db2.gz HUPZWHRVJHDXQI-AWEZNQCLSA-N 1 0 405.430 -0.494 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000551765430 1069580818 /nfs/dbraw/zinc/58/08/18/1069580818.db2.gz HUPZWHRVJHDXQI-CQSZACIVSA-N 1 0 405.430 -0.494 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000551784270 1069582473 /nfs/dbraw/zinc/58/24/73/1069582473.db2.gz HXZPGSQAXCCUHO-KRWDZBQOSA-N 1 0 412.531 -0.395 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000551784271 1069582915 /nfs/dbraw/zinc/58/29/15/1069582915.db2.gz HXZPGSQAXCCUHO-QGZVFWFLSA-N 1 0 412.531 -0.395 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)NCC[NH+]1CCCCCC1 ZINC000551796828 1069585146 /nfs/dbraw/zinc/58/51/46/1069585146.db2.gz DAIIRNXRNDUJQU-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO COc1c(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cccc1C(N)=O ZINC000551796880 1069585105 /nfs/dbraw/zinc/58/51/05/1069585105.db2.gz FMPZZQPXBRVDDZ-UHFFFAOYSA-N 1 0 419.482 -0.159 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000551797932 1069585127 /nfs/dbraw/zinc/58/51/27/1069585127.db2.gz RCBVDHGHXASTCD-UHFFFAOYSA-N 1 0 419.482 -0.508 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000551799133 1069583918 /nfs/dbraw/zinc/58/39/18/1069583918.db2.gz AUFAUCBDQBAUAQ-UHFFFAOYSA-N 1 0 421.502 -0.982 20 0 HBADRO NC(=O)COc1cccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000551799424 1069583466 /nfs/dbraw/zinc/58/34/66/1069583466.db2.gz GTUXFEFWWPPRMB-UHFFFAOYSA-N 1 0 419.482 -0.402 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000551832622 1069587249 /nfs/dbraw/zinc/58/72/49/1069587249.db2.gz ARKXQQCMPYREHG-INIZCTEOSA-N 1 0 406.531 -0.019 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000551832623 1069587390 /nfs/dbraw/zinc/58/73/90/1069587390.db2.gz ARKXQQCMPYREHG-MRXNPFEDSA-N 1 0 406.531 -0.019 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000551834836 1069588792 /nfs/dbraw/zinc/58/87/92/1069588792.db2.gz ZVSZWSFRVJXDNF-INIZCTEOSA-N 1 0 404.515 -0.026 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000551834837 1069588906 /nfs/dbraw/zinc/58/89/06/1069588906.db2.gz ZVSZWSFRVJXDNF-MRXNPFEDSA-N 1 0 404.515 -0.026 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000551835167 1069589381 /nfs/dbraw/zinc/58/93/81/1069589381.db2.gz KYCIPSSWZNJPMZ-INIZCTEOSA-N 1 0 404.515 -0.168 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000551835168 1069589282 /nfs/dbraw/zinc/58/92/82/1069589282.db2.gz KYCIPSSWZNJPMZ-MRXNPFEDSA-N 1 0 404.515 -0.168 20 0 HBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000551835221 1069589370 /nfs/dbraw/zinc/58/93/70/1069589370.db2.gz MPRPFGGUNBJBNT-HNNXBMFYSA-N 1 0 404.515 -0.129 20 0 HBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000551835222 1069589332 /nfs/dbraw/zinc/58/93/32/1069589332.db2.gz MPRPFGGUNBJBNT-OAHLLOKOSA-N 1 0 404.515 -0.129 20 0 HBADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000551836382 1069589702 /nfs/dbraw/zinc/58/97/02/1069589702.db2.gz WNBSGHBCETZAOY-UHFFFAOYSA-N 1 0 404.515 -0.026 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000551842873 1069586256 /nfs/dbraw/zinc/58/62/56/1069586256.db2.gz JBSCJJNJPUGEFJ-DLBZAZTESA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000551842876 1069586582 /nfs/dbraw/zinc/58/65/82/1069586582.db2.gz JBSCJJNJPUGEFJ-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000551842877 1069586744 /nfs/dbraw/zinc/58/67/44/1069586744.db2.gz JBSCJJNJPUGEFJ-IRXDYDNUSA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000551842878 1069586636 /nfs/dbraw/zinc/58/66/36/1069586636.db2.gz JBSCJJNJPUGEFJ-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2=O)cn1 ZINC000551843346 1069592625 /nfs/dbraw/zinc/59/26/25/1069592625.db2.gz AFLJWUIQYXIAMZ-AEFFLSMTSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2=O)cn1 ZINC000551843347 1069589861 /nfs/dbraw/zinc/58/98/61/1069589861.db2.gz AFLJWUIQYXIAMZ-FUHWJXTLSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2=O)cn1 ZINC000551843348 1069589941 /nfs/dbraw/zinc/58/99/41/1069589941.db2.gz AFLJWUIQYXIAMZ-SJLPKXTDSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2=O)cn1 ZINC000551843349 1069589725 /nfs/dbraw/zinc/58/97/25/1069589725.db2.gz AFLJWUIQYXIAMZ-WMZOPIPTSA-N 1 0 412.494 -0.069 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000551849020 1069591048 /nfs/dbraw/zinc/59/10/48/1069591048.db2.gz OEICXKJYPWHBJP-UHFFFAOYSA-N 1 0 407.515 -0.685 20 0 HBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000551849623 1069590997 /nfs/dbraw/zinc/59/09/97/1069590997.db2.gz ZTNRBLPJBDSKPQ-IBGZPJMESA-N 1 0 415.538 -0.302 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000551849630 1069590944 /nfs/dbraw/zinc/59/09/44/1069590944.db2.gz ZTNRBLPJBDSKPQ-LJQANCHMSA-N 1 0 415.538 -0.302 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)cn1 ZINC000551856041 1069592195 /nfs/dbraw/zinc/59/21/95/1069592195.db2.gz HHTUCLSETSMYNM-HNNXBMFYSA-N 1 0 406.487 -0.595 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)cn1 ZINC000551856042 1069592148 /nfs/dbraw/zinc/59/21/48/1069592148.db2.gz HHTUCLSETSMYNM-OAHLLOKOSA-N 1 0 406.487 -0.595 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)S(C)(=O)=O ZINC000551857793 1069592013 /nfs/dbraw/zinc/59/20/13/1069592013.db2.gz DGLVQDNFAUSVOQ-UHFFFAOYSA-N 1 0 418.560 -0.655 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)S(C)(=O)=O ZINC000551858588 1069591960 /nfs/dbraw/zinc/59/19/60/1069591960.db2.gz PTXCTDQVLUWTRX-INIZCTEOSA-N 1 0 417.576 -0.987 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)S(C)(=O)=O ZINC000551858589 1069592123 /nfs/dbraw/zinc/59/21/23/1069592123.db2.gz PTXCTDQVLUWTRX-MRXNPFEDSA-N 1 0 417.576 -0.987 20 0 HBADRO CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)S(C)(=O)=O ZINC000551858591 1069592000 /nfs/dbraw/zinc/59/20/00/1069592000.db2.gz QANNJVIHVUMQRC-UHFFFAOYSA-N 1 0 420.576 -0.220 20 0 HBADRO CCN(CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)S(C)(=O)=O ZINC000551859068 1069592604 /nfs/dbraw/zinc/59/26/04/1069592604.db2.gz ZUVNTOLDWOYMOE-UHFFFAOYSA-N 1 0 418.560 -0.465 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000551859468 1069592712 /nfs/dbraw/zinc/59/27/12/1069592712.db2.gz KQARZLBLSXWIJT-INIZCTEOSA-N 1 0 402.561 -0.036 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000551859469 1069592665 /nfs/dbraw/zinc/59/26/65/1069592665.db2.gz KQARZLBLSXWIJT-MRXNPFEDSA-N 1 0 402.561 -0.036 20 0 HBADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)c1cnnn1C)C(=O)c1cnnn1C ZINC000552018897 1069655227 /nfs/dbraw/zinc/65/52/27/1069655227.db2.gz ODFDGERLWLPINX-UHFFFAOYSA-N 1 0 403.491 -0.356 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000552030841 1069717913 /nfs/dbraw/zinc/71/79/13/1069717913.db2.gz NISFYKICSZZBGM-INIZCTEOSA-N 1 0 402.561 -0.446 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000552030842 1069717971 /nfs/dbraw/zinc/71/79/71/1069717971.db2.gz NISFYKICSZZBGM-MRXNPFEDSA-N 1 0 402.561 -0.446 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC000552044548 1069764304 /nfs/dbraw/zinc/76/43/04/1069764304.db2.gz GFDOORDCVCIKQV-HNNXBMFYSA-N 1 0 414.466 -0.943 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC000552044549 1069763982 /nfs/dbraw/zinc/76/39/82/1069763982.db2.gz GFDOORDCVCIKQV-OAHLLOKOSA-N 1 0 414.466 -0.943 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)C1=O ZINC000552045132 1069764182 /nfs/dbraw/zinc/76/41/82/1069764182.db2.gz ZCJMCOLGLBKJMO-HNNXBMFYSA-N 1 0 414.466 -0.943 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)C1=O ZINC000552045133 1069764326 /nfs/dbraw/zinc/76/43/26/1069764326.db2.gz ZCJMCOLGLBKJMO-OAHLLOKOSA-N 1 0 414.466 -0.943 20 0 HBADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)NCC[NH+](C)C ZINC000552081535 1069766715 /nfs/dbraw/zinc/76/67/15/1069766715.db2.gz LWEWIQJICMEZOK-LLVKDONJSA-N 1 0 406.455 -0.184 20 0 HBADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)NCC[NH+](C)C ZINC000552081536 1069766599 /nfs/dbraw/zinc/76/65/99/1069766599.db2.gz LWEWIQJICMEZOK-NSHDSACASA-N 1 0 406.455 -0.184 20 0 HBADRO C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCC[NH+](C)C ZINC000552081722 1069766328 /nfs/dbraw/zinc/76/63/28/1069766328.db2.gz UCERBAVVJNMLAD-ACJLOTCBSA-N 1 0 415.494 -0.355 20 0 HBADRO C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCC[NH+](C)C ZINC000552081723 1069766219 /nfs/dbraw/zinc/76/62/19/1069766219.db2.gz UCERBAVVJNMLAD-FZKQIMNGSA-N 1 0 415.494 -0.355 20 0 HBADRO C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCC[NH+](C)C ZINC000552081724 1069766262 /nfs/dbraw/zinc/76/62/62/1069766262.db2.gz UCERBAVVJNMLAD-SCLBCKFNSA-N 1 0 415.494 -0.355 20 0 HBADRO C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCC[NH+](C)C ZINC000552081725 1069766315 /nfs/dbraw/zinc/76/63/15/1069766315.db2.gz UCERBAVVJNMLAD-UGSOOPFHSA-N 1 0 415.494 -0.355 20 0 HBADRO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)NCC[NH+](C)C ZINC000552082040 1069766748 /nfs/dbraw/zinc/76/67/48/1069766748.db2.gz DACKPSNGMQFLTO-HNNXBMFYSA-N 1 0 401.467 -0.759 20 0 HBADRO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)NCC[NH+](C)C ZINC000552082041 1069767074 /nfs/dbraw/zinc/76/70/74/1069767074.db2.gz DACKPSNGMQFLTO-OAHLLOKOSA-N 1 0 401.467 -0.759 20 0 HBADRO COc1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000552082942 1069767107 /nfs/dbraw/zinc/76/71/07/1069767107.db2.gz KLJOFVKZEKGGIW-GFCCVEGCSA-N 1 0 400.501 -0.258 20 0 HBADRO COc1ccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000552082943 1069766725 /nfs/dbraw/zinc/76/67/25/1069766725.db2.gz KLJOFVKZEKGGIW-LBPRGKRZSA-N 1 0 400.501 -0.258 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000552103272 1069768402 /nfs/dbraw/zinc/76/84/02/1069768402.db2.gz KOWASZARTWXWCL-CVEARBPZSA-N 1 0 406.483 -0.077 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000552103273 1069768580 /nfs/dbraw/zinc/76/85/80/1069768580.db2.gz KOWASZARTWXWCL-HOTGVXAUSA-N 1 0 406.483 -0.077 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000552103274 1069768550 /nfs/dbraw/zinc/76/85/50/1069768550.db2.gz KOWASZARTWXWCL-HZPDHXFCSA-N 1 0 406.483 -0.077 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000552103275 1069768489 /nfs/dbraw/zinc/76/84/89/1069768489.db2.gz KOWASZARTWXWCL-JKSUJKDBSA-N 1 0 406.483 -0.077 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1=O ZINC000552105681 1069767142 /nfs/dbraw/zinc/76/71/42/1069767142.db2.gz CHVHGLKRIRLWRM-HNNXBMFYSA-N 1 0 420.466 -0.560 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1=O ZINC000552105682 1069766975 /nfs/dbraw/zinc/76/69/75/1069766975.db2.gz CHVHGLKRIRLWRM-OAHLLOKOSA-N 1 0 420.466 -0.560 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)CC1=O ZINC000552105723 1069766810 /nfs/dbraw/zinc/76/68/10/1069766810.db2.gz FECFDPYUGALUQT-KRWDZBQOSA-N 1 0 404.515 -0.012 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CCN(c3cnccn3)CC2)CC1=O ZINC000552105724 1069767013 /nfs/dbraw/zinc/76/70/13/1069767013.db2.gz FECFDPYUGALUQT-QGZVFWFLSA-N 1 0 404.515 -0.012 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2ncc3ccccc3c2=O)CC1=O ZINC000552105946 1069767083 /nfs/dbraw/zinc/76/70/83/1069767083.db2.gz ONIBZCFHYSACCU-INIZCTEOSA-N 1 0 401.467 -0.308 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2ncc3ccccc3c2=O)CC1=O ZINC000552105947 1069766762 /nfs/dbraw/zinc/76/67/62/1069766762.db2.gz ONIBZCFHYSACCU-MRXNPFEDSA-N 1 0 401.467 -0.308 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CC1=O ZINC000552106591 1069767053 /nfs/dbraw/zinc/76/70/53/1069767053.db2.gz KGZOIOJDWJMDHQ-AWEZNQCLSA-N 1 0 402.451 -0.422 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CC1=O ZINC000552106592 1069766856 /nfs/dbraw/zinc/76/68/56/1069766856.db2.gz KGZOIOJDWJMDHQ-CQSZACIVSA-N 1 0 402.451 -0.422 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnc3scc(C)n3c2=O)CC1=O ZINC000552112015 1069767624 /nfs/dbraw/zinc/76/76/24/1069767624.db2.gz GKOJYZOPSKPGRF-CYBMUJFWSA-N 1 0 407.496 -0.027 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnc3scc(C)n3c2=O)CC1=O ZINC000552112016 1069767802 /nfs/dbraw/zinc/76/78/02/1069767802.db2.gz GKOJYZOPSKPGRF-ZDUSSCGKSA-N 1 0 407.496 -0.027 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1=O ZINC000552112139 1069767558 /nfs/dbraw/zinc/76/75/58/1069767558.db2.gz MNBQBEFXNMUBSY-AWEZNQCLSA-N 1 0 417.466 -0.603 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1=O ZINC000552112140 1069767899 /nfs/dbraw/zinc/76/78/99/1069767899.db2.gz MNBQBEFXNMUBSY-CQSZACIVSA-N 1 0 417.466 -0.603 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000552112152 1069768005 /nfs/dbraw/zinc/76/80/05/1069768005.db2.gz NMYQIEXVFBMUOB-HNNXBMFYSA-N 1 0 423.514 -0.464 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000552112153 1069767829 /nfs/dbraw/zinc/76/78/29/1069767829.db2.gz NMYQIEXVFBMUOB-OAHLLOKOSA-N 1 0 423.514 -0.464 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000552134731 1069769313 /nfs/dbraw/zinc/76/93/13/1069769313.db2.gz IKGRECQEUNXXAL-MSOLQXFVSA-N 1 0 410.540 -0.086 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000552134734 1069769119 /nfs/dbraw/zinc/76/91/19/1069769119.db2.gz IKGRECQEUNXXAL-QZTJIDSGSA-N 1 0 410.540 -0.086 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000552134735 1069769262 /nfs/dbraw/zinc/76/92/62/1069769262.db2.gz IKGRECQEUNXXAL-ROUUACIJSA-N 1 0 410.540 -0.086 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000552134736 1069769462 /nfs/dbraw/zinc/76/94/62/1069769462.db2.gz IKGRECQEUNXXAL-ZWKOTPCHSA-N 1 0 410.540 -0.086 20 0 HBADRO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000552157168 1069770659 /nfs/dbraw/zinc/77/06/59/1069770659.db2.gz HBHKKACNUZFOTJ-GJZGRUSLSA-N 1 0 413.496 -0.537 20 0 HBADRO COc1cc(F)cc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000552172494 1069771588 /nfs/dbraw/zinc/77/15/88/1069771588.db2.gz DBCPIQYKFJXMMI-UHFFFAOYSA-N 1 0 420.445 -0.037 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)nc1 ZINC000552176139 1069771595 /nfs/dbraw/zinc/77/15/95/1069771595.db2.gz YGPSCSDUDFUAOC-AWEZNQCLSA-N 1 0 401.467 -0.084 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)nc1 ZINC000552176140 1069771652 /nfs/dbraw/zinc/77/16/52/1069771652.db2.gz YGPSCSDUDFUAOC-CQSZACIVSA-N 1 0 401.467 -0.084 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552176398 1069772362 /nfs/dbraw/zinc/77/23/62/1069772362.db2.gz FCHVHARYACDJQB-CVEARBPZSA-N 1 0 409.531 -0.975 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552176399 1069772078 /nfs/dbraw/zinc/77/20/78/1069772078.db2.gz FCHVHARYACDJQB-HOTGVXAUSA-N 1 0 409.531 -0.975 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552176400 1069772305 /nfs/dbraw/zinc/77/23/05/1069772305.db2.gz FCHVHARYACDJQB-HZPDHXFCSA-N 1 0 409.531 -0.975 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000552176401 1069772036 /nfs/dbraw/zinc/77/20/36/1069772036.db2.gz FCHVHARYACDJQB-JKSUJKDBSA-N 1 0 409.531 -0.975 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176977 1069771520 /nfs/dbraw/zinc/77/15/20/1069771520.db2.gz YDJGUFKDRDAPRE-GOSISDBHSA-N 1 0 413.522 -0.200 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176978 1069771630 /nfs/dbraw/zinc/77/16/30/1069771630.db2.gz YDJGUFKDRDAPRE-SFHVURJKSA-N 1 0 413.522 -0.200 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1)Cc1ccccc1 ZINC000552182037 1069773087 /nfs/dbraw/zinc/77/30/87/1069773087.db2.gz DWFXLKCBRMPGJP-UHFFFAOYSA-N 1 0 408.568 -0.007 20 0 HBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000552185215 1069775288 /nfs/dbraw/zinc/77/52/88/1069775288.db2.gz NKWDPCLKUYQXMO-FGTMMUONSA-N 1 0 419.570 -0.012 20 0 HBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000552185216 1069775393 /nfs/dbraw/zinc/77/53/93/1069775393.db2.gz NKWDPCLKUYQXMO-KSZLIROESA-N 1 0 419.570 -0.012 20 0 HBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000552185217 1069775263 /nfs/dbraw/zinc/77/52/63/1069775263.db2.gz NKWDPCLKUYQXMO-KURKYZTESA-N 1 0 419.570 -0.012 20 0 HBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C1 ZINC000552185218 1069775379 /nfs/dbraw/zinc/77/53/79/1069775379.db2.gz NKWDPCLKUYQXMO-KZNAEPCWSA-N 1 0 419.570 -0.012 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552189279 1069775424 /nfs/dbraw/zinc/77/54/24/1069775424.db2.gz HWORNVCMVOPVHK-GDBMZVCRSA-N 1 0 416.544 -0.762 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552189280 1069775337 /nfs/dbraw/zinc/77/53/37/1069775337.db2.gz HWORNVCMVOPVHK-GOEBONIOSA-N 1 0 416.544 -0.762 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552189281 1069775134 /nfs/dbraw/zinc/77/51/34/1069775134.db2.gz HWORNVCMVOPVHK-HOCLYGCPSA-N 1 0 416.544 -0.762 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552189282 1069775186 /nfs/dbraw/zinc/77/51/86/1069775186.db2.gz HWORNVCMVOPVHK-ZBFHGGJFSA-N 1 0 416.544 -0.762 20 0 HBADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189417 1069775227 /nfs/dbraw/zinc/77/52/27/1069775227.db2.gz NUKLHDIMQDLCTK-HNNXBMFYSA-N 1 0 418.519 -0.057 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189418 1069775351 /nfs/dbraw/zinc/77/53/51/1069775351.db2.gz NUKLHDIMQDLCTK-OAHLLOKOSA-N 1 0 418.519 -0.057 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000552191721 1069775965 /nfs/dbraw/zinc/77/59/65/1069775965.db2.gz QLWLQBXFZLTSRJ-CYBMUJFWSA-N 1 0 401.489 -0.895 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000552191722 1069775860 /nfs/dbraw/zinc/77/58/60/1069775860.db2.gz QLWLQBXFZLTSRJ-ZDUSSCGKSA-N 1 0 401.489 -0.895 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000552191898 1069775329 /nfs/dbraw/zinc/77/53/29/1069775329.db2.gz XYBKQADVVBSJPP-INIZCTEOSA-N 1 0 419.592 -0.046 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000552191899 1069776053 /nfs/dbraw/zinc/77/60/53/1069776053.db2.gz XYBKQADVVBSJPP-MRXNPFEDSA-N 1 0 419.592 -0.046 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000552193149 1069776030 /nfs/dbraw/zinc/77/60/30/1069776030.db2.gz XTSCABNTPNBGCD-HNNXBMFYSA-N 1 0 406.549 -0.658 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000552193150 1069775993 /nfs/dbraw/zinc/77/59/93/1069775993.db2.gz XTSCABNTPNBGCD-OAHLLOKOSA-N 1 0 406.549 -0.658 20 0 HBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552206467 1069775102 /nfs/dbraw/zinc/77/51/02/1069775102.db2.gz VSCVIQXFBNRLKE-FQEVSTJZSA-N 1 0 400.483 -0.049 20 0 HBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552206468 1069775413 /nfs/dbraw/zinc/77/54/13/1069775413.db2.gz VSCVIQXFBNRLKE-HXUWFJFHSA-N 1 0 400.483 -0.049 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC3([NH+]4CCCC4)CCOCC3)cnc21 ZINC000552206997 1069774331 /nfs/dbraw/zinc/77/43/31/1069774331.db2.gz RQWAHVBAEVPVIY-UHFFFAOYSA-N 1 0 423.495 -0.043 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000552207570 1069776584 /nfs/dbraw/zinc/77/65/84/1069776584.db2.gz UFTGXQSGQOHWTN-IBGZPJMESA-N 1 0 409.508 -0.265 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000552207571 1069776817 /nfs/dbraw/zinc/77/68/17/1069776817.db2.gz UFTGXQSGQOHWTN-LJQANCHMSA-N 1 0 409.508 -0.265 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000552207678 1069776846 /nfs/dbraw/zinc/77/68/46/1069776846.db2.gz ZYDZOJDKYIEJPT-IBGZPJMESA-N 1 0 424.523 -0.760 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000552207679 1069776629 /nfs/dbraw/zinc/77/66/29/1069776629.db2.gz ZYDZOJDKYIEJPT-LJQANCHMSA-N 1 0 424.523 -0.760 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000552210412 1069776860 /nfs/dbraw/zinc/77/68/60/1069776860.db2.gz BDRYRMHNCWWAQQ-IBGZPJMESA-N 1 0 424.523 -0.162 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000552210413 1069776508 /nfs/dbraw/zinc/77/65/08/1069776508.db2.gz BDRYRMHNCWWAQQ-LJQANCHMSA-N 1 0 424.523 -0.162 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000552250002 1069776759 /nfs/dbraw/zinc/77/67/59/1069776759.db2.gz SDWCMUVEICQEIU-HNNXBMFYSA-N 1 0 402.451 -0.044 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000552250003 1069776376 /nfs/dbraw/zinc/77/63/76/1069776376.db2.gz SDWCMUVEICQEIU-OAHLLOKOSA-N 1 0 402.451 -0.044 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552255198 1069779070 /nfs/dbraw/zinc/77/90/70/1069779070.db2.gz RWAIGWSYLAZEQV-AWEZNQCLSA-N 1 0 419.448 -0.494 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552255199 1069778707 /nfs/dbraw/zinc/77/87/07/1069778707.db2.gz RWAIGWSYLAZEQV-CQSZACIVSA-N 1 0 419.448 -0.494 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552256160 1069777931 /nfs/dbraw/zinc/77/79/31/1069777931.db2.gz RUCNUKQTKMTGAC-AWEZNQCLSA-N 1 0 421.464 -0.248 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000552256161 1069778218 /nfs/dbraw/zinc/77/82/18/1069778218.db2.gz RUCNUKQTKMTGAC-CQSZACIVSA-N 1 0 421.464 -0.248 20 0 HBADRO C[NH+](C)C1CCN(CCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000552258289 1069778270 /nfs/dbraw/zinc/77/82/70/1069778270.db2.gz BWVPOVCAHULCIQ-UHFFFAOYSA-N 1 0 408.528 -0.017 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000552288853 1069779664 /nfs/dbraw/zinc/77/96/64/1069779664.db2.gz IQQJFCKKHYCXOY-UHFFFAOYSA-N 1 0 423.539 -0.237 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000552291401 1069780479 /nfs/dbraw/zinc/78/04/79/1069780479.db2.gz VJLVCDYZHBIWJJ-UHFFFAOYSA-N 1 0 402.499 -0.323 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000552303648 1069781935 /nfs/dbraw/zinc/78/19/35/1069781935.db2.gz XMIPMTZLRCTXBR-CYBMUJFWSA-N 1 0 400.501 -0.593 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000552303649 1069781632 /nfs/dbraw/zinc/78/16/32/1069781632.db2.gz XMIPMTZLRCTXBR-ZDUSSCGKSA-N 1 0 400.501 -0.593 20 0 HBADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000552303958 1069781203 /nfs/dbraw/zinc/78/12/03/1069781203.db2.gz ZNAXOFPWOZRSCN-CZUORRHYSA-N 1 0 400.501 -0.437 20 0 HBADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000552309342 1069781899 /nfs/dbraw/zinc/78/18/99/1069781899.db2.gz FTLZSROMSQKRNU-CYBMUJFWSA-N 1 0 412.512 -0.655 20 0 HBADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000552309343 1069781723 /nfs/dbraw/zinc/78/17/23/1069781723.db2.gz FTLZSROMSQKRNU-ZDUSSCGKSA-N 1 0 412.512 -0.655 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000552310969 1069781651 /nfs/dbraw/zinc/78/16/51/1069781651.db2.gz QGXFSCMUQPMQTO-CYBMUJFWSA-N 1 0 412.512 -0.260 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000552310970 1069781715 /nfs/dbraw/zinc/78/17/15/1069781715.db2.gz QGXFSCMUQPMQTO-ZDUSSCGKSA-N 1 0 412.512 -0.260 20 0 HBADRO COCCN1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552316588 1069785012 /nfs/dbraw/zinc/78/50/12/1069785012.db2.gz VOLWPDBDLRKQDR-UHFFFAOYSA-N 1 0 404.515 -0.760 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000552316655 1069784686 /nfs/dbraw/zinc/78/46/86/1069784686.db2.gz XKMXBWWYLDVFPD-UHFFFAOYSA-N 1 0 418.542 -0.635 20 0 HBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552316702 1069784897 /nfs/dbraw/zinc/78/48/97/1069784897.db2.gz YNUUMAUXRIUMFV-CYBMUJFWSA-N 1 0 403.405 -0.169 20 0 HBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552316705 1069784934 /nfs/dbraw/zinc/78/49/34/1069784934.db2.gz YNUUMAUXRIUMFV-ZDUSSCGKSA-N 1 0 403.405 -0.169 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552316760 1069784650 /nfs/dbraw/zinc/78/46/50/1069784650.db2.gz ZSJLVSXDFUPZTN-FQEVSTJZSA-N 1 0 402.499 -0.566 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552316761 1069784949 /nfs/dbraw/zinc/78/49/49/1069784949.db2.gz ZSJLVSXDFUPZTN-HXUWFJFHSA-N 1 0 402.499 -0.566 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCC1 ZINC000552317292 1069784613 /nfs/dbraw/zinc/78/46/13/1069784613.db2.gz MBYHSGWJJVVHCA-UHFFFAOYSA-N 1 0 416.526 -0.128 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000552317330 1069784848 /nfs/dbraw/zinc/78/48/48/1069784848.db2.gz OQCJOLXDAFLCDW-INIZCTEOSA-N 1 0 407.540 -0.224 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCSC[C@H]2CCO)CC1 ZINC000552317331 1069784977 /nfs/dbraw/zinc/78/49/77/1069784977.db2.gz OQCJOLXDAFLCDW-MRXNPFEDSA-N 1 0 407.540 -0.224 20 0 HBADRO CCCN1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1=O ZINC000552317463 1069784727 /nfs/dbraw/zinc/78/47/27/1069784727.db2.gz SDPSZJOPBASFAH-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1C ZINC000552317750 1069784994 /nfs/dbraw/zinc/78/49/94/1069784994.db2.gz XYXWDGDAURFZSL-UHFFFAOYSA-N 1 0 414.514 -0.435 20 0 HBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552317774 1069784748 /nfs/dbraw/zinc/78/47/48/1069784748.db2.gz ZAOCWEHNWAUFRV-KRWDZBQOSA-N 1 0 416.526 -0.081 20 0 HBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552317775 1069784863 /nfs/dbraw/zinc/78/48/63/1069784863.db2.gz ZAOCWEHNWAUFRV-QGZVFWFLSA-N 1 0 416.526 -0.081 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000552323085 1069783189 /nfs/dbraw/zinc/78/31/89/1069783189.db2.gz SULDKSRIBFUZIY-HNNXBMFYSA-N 1 0 402.499 -0.436 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)CC1 ZINC000552323086 1069783238 /nfs/dbraw/zinc/78/32/38/1069783238.db2.gz SULDKSRIBFUZIY-OAHLLOKOSA-N 1 0 402.499 -0.436 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000552323146 1069783306 /nfs/dbraw/zinc/78/33/06/1069783306.db2.gz XHTUFCIPZAJOJY-KRWDZBQOSA-N 1 0 415.416 -0.025 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000552323147 1069783210 /nfs/dbraw/zinc/78/32/10/1069783210.db2.gz XHTUFCIPZAJOJY-QGZVFWFLSA-N 1 0 415.416 -0.025 20 0 HBADRO COC(=O)C1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552324993 1069783482 /nfs/dbraw/zinc/78/34/82/1069783482.db2.gz AOKIFNFEEXIMQT-UHFFFAOYSA-N 1 0 403.483 -0.139 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000552325717 1069783224 /nfs/dbraw/zinc/78/32/24/1069783224.db2.gz ATPYKOQWKZNYQQ-HZPDHXFCSA-N 1 0 400.483 -0.813 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000552332064 1069783957 /nfs/dbraw/zinc/78/39/57/1069783957.db2.gz ZYMSASCOPMPQQO-UHFFFAOYSA-N 1 0 405.499 -0.022 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000552341951 1069786270 /nfs/dbraw/zinc/78/62/70/1069786270.db2.gz CWHGUDDHUZNWJQ-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000552341953 1069786180 /nfs/dbraw/zinc/78/61/80/1069786180.db2.gz CWHGUDDHUZNWJQ-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000552343670 1069787130 /nfs/dbraw/zinc/78/71/30/1069787130.db2.gz LBGBKXDAQPUFNG-HNNXBMFYSA-N 1 0 420.601 -0.282 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000552343671 1069786915 /nfs/dbraw/zinc/78/69/15/1069786915.db2.gz LBGBKXDAQPUFNG-OAHLLOKOSA-N 1 0 420.601 -0.282 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000552345626 1069787019 /nfs/dbraw/zinc/78/70/19/1069787019.db2.gz HACQINYEWFPQOU-UHFFFAOYSA-N 1 0 400.501 -0.072 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1=O ZINC000552346270 1069786972 /nfs/dbraw/zinc/78/69/72/1069786972.db2.gz DNWFUBQXIWAHSM-INIZCTEOSA-N 1 0 412.437 -0.010 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1=O ZINC000552346271 1069787059 /nfs/dbraw/zinc/78/70/59/1069787059.db2.gz DNWFUBQXIWAHSM-MRXNPFEDSA-N 1 0 412.437 -0.010 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000552348130 1069786937 /nfs/dbraw/zinc/78/69/37/1069786937.db2.gz HRPNHTSHEOFZLB-UHFFFAOYSA-N 1 0 402.517 -0.128 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1=O ZINC000552350232 1069787780 /nfs/dbraw/zinc/78/77/80/1069787780.db2.gz VRNQVIPBSXTZQB-HNNXBMFYSA-N 1 0 415.494 -0.229 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1=O ZINC000552350233 1069787985 /nfs/dbraw/zinc/78/79/85/1069787985.db2.gz VRNQVIPBSXTZQB-OAHLLOKOSA-N 1 0 415.494 -0.229 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)CC1=O ZINC000552351119 1069787614 /nfs/dbraw/zinc/78/76/14/1069787614.db2.gz QJPYJTKSCIQUFL-HNNXBMFYSA-N 1 0 403.487 -0.177 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)CC1=O ZINC000552351120 1069787822 /nfs/dbraw/zinc/78/78/22/1069787822.db2.gz QJPYJTKSCIQUFL-OAHLLOKOSA-N 1 0 403.487 -0.177 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccnc2N2CCOCC2)CC1=O ZINC000552351339 1069788061 /nfs/dbraw/zinc/78/80/61/1069788061.db2.gz VNQJGCRUJKTCRA-INIZCTEOSA-N 1 0 405.499 -0.173 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccnc2N2CCOCC2)CC1=O ZINC000552351340 1069787935 /nfs/dbraw/zinc/78/79/35/1069787935.db2.gz VNQJGCRUJKTCRA-MRXNPFEDSA-N 1 0 405.499 -0.173 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC1=O ZINC000552352878 1069785478 /nfs/dbraw/zinc/78/54/78/1069785478.db2.gz WLIHBNYSVFIPOZ-GOSISDBHSA-N 1 0 420.558 -0.073 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC1=O ZINC000552352879 1069785625 /nfs/dbraw/zinc/78/56/25/1069785625.db2.gz WLIHBNYSVFIPOZ-SFHVURJKSA-N 1 0 420.558 -0.073 20 0 HBADRO Cn1c(=O)c2cc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)cnc2n(C)c1=O ZINC000552354881 1069785444 /nfs/dbraw/zinc/78/54/44/1069785444.db2.gz OUCRJTGNVIUORJ-UHFFFAOYSA-N 1 0 416.482 -0.646 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552358063 1069790267 /nfs/dbraw/zinc/79/02/67/1069790267.db2.gz HBRGQOVDWBRTKY-MQVJKMGUSA-N 1 0 418.560 -0.469 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358926 1069787911 /nfs/dbraw/zinc/78/79/11/1069787911.db2.gz DZYNUWCWAQVNIM-DLBZAZTESA-N 1 0 421.542 -0.485 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358927 1069787580 /nfs/dbraw/zinc/78/75/80/1069787580.db2.gz DZYNUWCWAQVNIM-IAGOWNOFSA-N 1 0 421.542 -0.485 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358928 1069788036 /nfs/dbraw/zinc/78/80/36/1069788036.db2.gz DZYNUWCWAQVNIM-IRXDYDNUSA-N 1 0 421.542 -0.485 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358929 1069788461 /nfs/dbraw/zinc/78/84/61/1069788461.db2.gz DZYNUWCWAQVNIM-SJORKVTESA-N 1 0 421.542 -0.485 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1=O ZINC000552360556 1069788658 /nfs/dbraw/zinc/78/86/58/1069788658.db2.gz KDEKEWVYDSJXPY-AWEZNQCLSA-N 1 0 404.471 -0.831 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1=O ZINC000552360563 1069788579 /nfs/dbraw/zinc/78/85/79/1069788579.db2.gz KDEKEWVYDSJXPY-CQSZACIVSA-N 1 0 404.471 -0.831 20 0 HBADRO COCCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552362092 1069788505 /nfs/dbraw/zinc/78/85/05/1069788505.db2.gz HVESRUWSEDAJFJ-GOOCMWNKSA-N 1 0 404.533 -0.858 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000552366165 1069788634 /nfs/dbraw/zinc/78/86/34/1069788634.db2.gz OXNXGDFLLCLJQM-AWEZNQCLSA-N 1 0 415.516 -0.553 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000552366166 1069788481 /nfs/dbraw/zinc/78/84/81/1069788481.db2.gz OXNXGDFLLCLJQM-CQSZACIVSA-N 1 0 415.516 -0.553 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000552393586 1069790245 /nfs/dbraw/zinc/79/02/45/1069790245.db2.gz BGCGEVWMWPUUAM-HNNXBMFYSA-N 1 0 405.565 -0.629 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000552414018 1069792980 /nfs/dbraw/zinc/79/29/80/1069792980.db2.gz GQLYCRAIIKQHLN-HNNXBMFYSA-N 1 0 417.510 -0.327 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000552414019 1069793132 /nfs/dbraw/zinc/79/31/32/1069793132.db2.gz GQLYCRAIIKQHLN-OAHLLOKOSA-N 1 0 417.510 -0.327 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 ZINC000552414025 1069793186 /nfs/dbraw/zinc/79/31/86/1069793186.db2.gz GWKUAXQJMBYAMI-INIZCTEOSA-N 1 0 417.510 -0.292 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)c1 ZINC000552414026 1069793103 /nfs/dbraw/zinc/79/31/03/1069793103.db2.gz GWKUAXQJMBYAMI-MRXNPFEDSA-N 1 0 417.510 -0.292 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC1=O ZINC000552414631 1069793067 /nfs/dbraw/zinc/79/30/67/1069793067.db2.gz XAUXQPUZPYFESR-INIZCTEOSA-N 1 0 403.483 -0.669 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC1=O ZINC000552414632 1069793040 /nfs/dbraw/zinc/79/30/40/1069793040.db2.gz XAUXQPUZPYFESR-MRXNPFEDSA-N 1 0 403.483 -0.669 20 0 HBADRO CNS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000552421054 1069794040 /nfs/dbraw/zinc/79/40/40/1069794040.db2.gz FOLVXYIQECHJGW-UHFFFAOYSA-N 1 0 421.545 -0.701 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000552429616 1069794514 /nfs/dbraw/zinc/79/45/14/1069794514.db2.gz BWBMNCAXKNZGDV-UHFFFAOYSA-N 1 0 415.494 -0.573 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000552429774 1069794694 /nfs/dbraw/zinc/79/46/94/1069794694.db2.gz DLHNFVDGXPGBHZ-INIZCTEOSA-N 1 0 418.498 -0.876 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000552429775 1069794494 /nfs/dbraw/zinc/79/44/94/1069794494.db2.gz DLHNFVDGXPGBHZ-MRXNPFEDSA-N 1 0 418.498 -0.876 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430244 1069794522 /nfs/dbraw/zinc/79/45/22/1069794522.db2.gz LZHBOIADCLSQLK-INIZCTEOSA-N 1 0 419.526 -0.569 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430245 1069794656 /nfs/dbraw/zinc/79/46/56/1069794656.db2.gz LZHBOIADCLSQLK-MRXNPFEDSA-N 1 0 419.526 -0.569 20 0 HBADRO CN(CCN1CCOCC1)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430372 1069794617 /nfs/dbraw/zinc/79/46/17/1069794617.db2.gz OMQGCPILJWVNBK-UHFFFAOYSA-N 1 0 419.526 -0.615 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000552430585 1069794725 /nfs/dbraw/zinc/79/47/25/1069794725.db2.gz VRAAUYKANCXKNW-NRFANRHFSA-N 1 0 417.510 -0.421 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000552430586 1069794670 /nfs/dbraw/zinc/79/46/70/1069794670.db2.gz VRAAUYKANCXKNW-OAQYLSRUSA-N 1 0 417.510 -0.421 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000552430622 1069794547 /nfs/dbraw/zinc/79/45/47/1069794547.db2.gz XNMIYWOTFPBLFY-CRAIPNDOSA-N 1 0 420.510 -0.144 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000552430623 1069794646 /nfs/dbraw/zinc/79/46/46/1069794646.db2.gz XNMIYWOTFPBLFY-MAUKXSAKSA-N 1 0 420.510 -0.144 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000552430624 1069794682 /nfs/dbraw/zinc/79/46/82/1069794682.db2.gz XNMIYWOTFPBLFY-QAPCUYQASA-N 1 0 420.510 -0.144 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000552430625 1069794485 /nfs/dbraw/zinc/79/44/85/1069794485.db2.gz XNMIYWOTFPBLFY-YJBOKZPZSA-N 1 0 420.510 -0.144 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000552438461 1069795353 /nfs/dbraw/zinc/79/53/53/1069795353.db2.gz YFGAMEFTKJNBOM-MSOLQXFVSA-N 1 0 417.510 -0.218 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000552438462 1069795171 /nfs/dbraw/zinc/79/51/71/1069795171.db2.gz YFGAMEFTKJNBOM-QZTJIDSGSA-N 1 0 417.510 -0.218 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000552438463 1069795390 /nfs/dbraw/zinc/79/53/90/1069795390.db2.gz YFGAMEFTKJNBOM-ROUUACIJSA-N 1 0 417.510 -0.218 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000552438464 1069795516 /nfs/dbraw/zinc/79/55/16/1069795516.db2.gz YFGAMEFTKJNBOM-ZWKOTPCHSA-N 1 0 417.510 -0.218 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000552440437 1069796234 /nfs/dbraw/zinc/79/62/34/1069796234.db2.gz CQFMOFOTPWSFAG-GJZGRUSLSA-N 1 0 400.501 -0.988 20 0 HBADRO C[NH+](C)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000552440633 1069796192 /nfs/dbraw/zinc/79/61/92/1069796192.db2.gz NSOVHYMVYWSTMO-ROUUACIJSA-N 1 0 411.524 -0.227 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000552452158 1069798306 /nfs/dbraw/zinc/79/83/06/1069798306.db2.gz JPEFTABIFWQTJA-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000552452159 1069798145 /nfs/dbraw/zinc/79/81/45/1069798145.db2.gz JPEFTABIFWQTJA-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552452549 1069798373 /nfs/dbraw/zinc/79/83/73/1069798373.db2.gz TZURBYZFFLONIR-HNNXBMFYSA-N 1 0 402.499 -0.423 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552452550 1069798348 /nfs/dbraw/zinc/79/83/48/1069798348.db2.gz TZURBYZFFLONIR-OAHLLOKOSA-N 1 0 402.499 -0.423 20 0 HBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CCO1 ZINC000552454534 1069798928 /nfs/dbraw/zinc/79/89/28/1069798928.db2.gz TVPKBJSSZPRJKG-PBHICJAKSA-N 1 0 404.467 -0.764 20 0 HBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CCO1 ZINC000552454535 1069799132 /nfs/dbraw/zinc/79/91/32/1069799132.db2.gz TVPKBJSSZPRJKG-RHSMWYFYSA-N 1 0 404.467 -0.764 20 0 HBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CCO1 ZINC000552454536 1069799063 /nfs/dbraw/zinc/79/90/63/1069799063.db2.gz TVPKBJSSZPRJKG-WMLDXEAASA-N 1 0 404.467 -0.764 20 0 HBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CCO1 ZINC000552454537 1069798859 /nfs/dbraw/zinc/79/88/59/1069798859.db2.gz TVPKBJSSZPRJKG-YOEHRIQHSA-N 1 0 404.467 -0.764 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000552455739 1069798797 /nfs/dbraw/zinc/79/87/97/1069798797.db2.gz FMPHSPLUQBMEPZ-CRAIPNDOSA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000552455740 1069798978 /nfs/dbraw/zinc/79/89/78/1069798978.db2.gz FMPHSPLUQBMEPZ-MAUKXSAKSA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000552455741 1069799098 /nfs/dbraw/zinc/79/90/98/1069799098.db2.gz FMPHSPLUQBMEPZ-QAPCUYQASA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000552455742 1069799796 /nfs/dbraw/zinc/79/97/96/1069799796.db2.gz FMPHSPLUQBMEPZ-YJBOKZPZSA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000552455969 1069796365 /nfs/dbraw/zinc/79/63/65/1069796365.db2.gz KTIATJNTYFKNJZ-HNNXBMFYSA-N 1 0 423.558 -0.144 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000552455970 1069796401 /nfs/dbraw/zinc/79/64/01/1069796401.db2.gz KTIATJNTYFKNJZ-OAHLLOKOSA-N 1 0 423.558 -0.144 20 0 HBADRO COC(=O)CN1CCC[C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000552458304 1069796817 /nfs/dbraw/zinc/79/68/17/1069796817.db2.gz ARLOQVQKXMLBKF-GFCCVEGCSA-N 1 0 403.439 -0.753 20 0 HBADRO COC(=O)CN1CCC[C@@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000552458305 1069796915 /nfs/dbraw/zinc/79/69/15/1069796915.db2.gz ARLOQVQKXMLBKF-LBPRGKRZSA-N 1 0 403.439 -0.753 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nccn2C(F)F)CC1 ZINC000552462750 1069799719 /nfs/dbraw/zinc/79/97/19/1069799719.db2.gz JBYDKRLMGSJHOX-UHFFFAOYSA-N 1 0 400.430 -0.093 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nccn1C(F)F ZINC000552463762 1069800500 /nfs/dbraw/zinc/80/05/00/1069800500.db2.gz SSZYKAVTUYRLNP-GFCCVEGCSA-N 1 0 400.430 -0.047 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nccn1C(F)F ZINC000552463766 1069800597 /nfs/dbraw/zinc/80/05/97/1069800597.db2.gz SSZYKAVTUYRLNP-LBPRGKRZSA-N 1 0 400.430 -0.047 20 0 HBADRO C[C@@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000552468293 1069800188 /nfs/dbraw/zinc/80/01/88/1069800188.db2.gz IQDAJBBKNSTUEM-GFCCVEGCSA-N 1 0 420.495 -0.178 20 0 HBADRO C[C@H]([NH2+]CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000552468294 1069800099 /nfs/dbraw/zinc/80/00/99/1069800099.db2.gz IQDAJBBKNSTUEM-LBPRGKRZSA-N 1 0 420.495 -0.178 20 0 HBADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000552469989 1069801389 /nfs/dbraw/zinc/80/13/89/1069801389.db2.gz VHNVUCGGWUOJRO-HNNXBMFYSA-N 1 0 414.466 -0.139 20 0 HBADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000552469990 1069801353 /nfs/dbraw/zinc/80/13/53/1069801353.db2.gz VHNVUCGGWUOJRO-OAHLLOKOSA-N 1 0 414.466 -0.139 20 0 HBADRO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000552487519 1069801984 /nfs/dbraw/zinc/80/19/84/1069801984.db2.gz OQODRZJGYHVCPE-INIZCTEOSA-N 1 0 415.502 -0.709 20 0 HBADRO C[C@H](Cn1cncn1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000552487523 1069801666 /nfs/dbraw/zinc/80/16/66/1069801666.db2.gz OQODRZJGYHVCPE-MRXNPFEDSA-N 1 0 415.502 -0.709 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1)NC1CCCCC1 ZINC000552494316 1069803416 /nfs/dbraw/zinc/80/34/16/1069803416.db2.gz HTVBFKHIGITWCG-KRWDZBQOSA-N 1 0 405.543 -0.068 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1)NC1CCCCC1 ZINC000552494317 1069803099 /nfs/dbraw/zinc/80/30/99/1069803099.db2.gz HTVBFKHIGITWCG-QGZVFWFLSA-N 1 0 405.543 -0.068 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000552500407 1069803830 /nfs/dbraw/zinc/80/38/30/1069803830.db2.gz APWZXZLUNNBLPW-CABCVRRESA-N 1 0 406.549 -0.658 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000552500408 1069803933 /nfs/dbraw/zinc/80/39/33/1069803933.db2.gz APWZXZLUNNBLPW-GJZGRUSLSA-N 1 0 406.549 -0.658 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000552500409 1069803743 /nfs/dbraw/zinc/80/37/43/1069803743.db2.gz APWZXZLUNNBLPW-HUUCEWRRSA-N 1 0 406.549 -0.658 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000552500410 1069803783 /nfs/dbraw/zinc/80/37/83/1069803783.db2.gz APWZXZLUNNBLPW-LSDHHAIUSA-N 1 0 406.549 -0.658 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552501254 1069803671 /nfs/dbraw/zinc/80/36/71/1069803671.db2.gz SQIVFQIEVSCLIR-GXTWGEPZSA-N 1 0 405.459 -0.174 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552501255 1069803976 /nfs/dbraw/zinc/80/39/76/1069803976.db2.gz SQIVFQIEVSCLIR-JSGCOSHPSA-N 1 0 405.459 -0.174 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552501256 1069804029 /nfs/dbraw/zinc/80/40/29/1069804029.db2.gz SQIVFQIEVSCLIR-OCCSQVGLSA-N 1 0 405.459 -0.174 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552501257 1069803810 /nfs/dbraw/zinc/80/38/10/1069803810.db2.gz SQIVFQIEVSCLIR-TZMCWYRMSA-N 1 0 405.459 -0.174 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000552501675 1069804052 /nfs/dbraw/zinc/80/40/52/1069804052.db2.gz FILKURAAFJTPEQ-CABCVRRESA-N 1 0 404.533 -0.904 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000552501678 1069803993 /nfs/dbraw/zinc/80/39/93/1069803993.db2.gz FILKURAAFJTPEQ-GJZGRUSLSA-N 1 0 404.533 -0.904 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000552501679 1069803849 /nfs/dbraw/zinc/80/38/49/1069803849.db2.gz FILKURAAFJTPEQ-HUUCEWRRSA-N 1 0 404.533 -0.904 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000552501680 1069803698 /nfs/dbraw/zinc/80/36/98/1069803698.db2.gz FILKURAAFJTPEQ-LSDHHAIUSA-N 1 0 404.533 -0.904 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000552506398 1069807489 /nfs/dbraw/zinc/80/74/89/1069807489.db2.gz FFJFHZHKCPZLAK-UHFFFAOYSA-N 1 0 404.515 -0.190 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000552506891 1069807749 /nfs/dbraw/zinc/80/77/49/1069807749.db2.gz QGUJDTAQSXSNSE-UHFFFAOYSA-N 1 0 407.515 -0.684 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC2)CC1 ZINC000552513912 1069805520 /nfs/dbraw/zinc/80/55/20/1069805520.db2.gz IPSYTGNUBCFUDI-UHFFFAOYSA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000552515483 1069805407 /nfs/dbraw/zinc/80/54/07/1069805407.db2.gz NNARADCWIFWHDH-UHFFFAOYSA-N 1 0 415.542 -0.200 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCN1CC(C)(C)O ZINC000552516704 1069806009 /nfs/dbraw/zinc/80/60/09/1069806009.db2.gz CDAUMIAOVBBOMU-KRWDZBQOSA-N 1 0 423.602 -0.035 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCN1CC(C)(C)O ZINC000552516705 1069806340 /nfs/dbraw/zinc/80/63/40/1069806340.db2.gz CDAUMIAOVBBOMU-QGZVFWFLSA-N 1 0 423.602 -0.035 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000552519663 1069806903 /nfs/dbraw/zinc/80/69/03/1069806903.db2.gz SFHAXSQIEOPOQP-GOSISDBHSA-N 1 0 421.586 -0.158 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000552519664 1069807066 /nfs/dbraw/zinc/80/70/66/1069807066.db2.gz SFHAXSQIEOPOQP-SFHVURJKSA-N 1 0 421.586 -0.158 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CCOCC3(C)C)CC2)CC1 ZINC000552521003 1069806545 /nfs/dbraw/zinc/80/65/45/1069806545.db2.gz PPPURMCGQCXSPN-UHFFFAOYSA-N 1 0 409.575 -0.112 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)CC2)CC1 ZINC000552521060 1069806501 /nfs/dbraw/zinc/80/65/01/1069806501.db2.gz RFDDBVLQVOZSBG-UHFFFAOYSA-N 1 0 417.558 -0.271 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1=O ZINC000552521165 1069807011 /nfs/dbraw/zinc/80/70/11/1069807011.db2.gz VLKAOAQIWUYWEA-UHFFFAOYSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000552537894 1069808688 /nfs/dbraw/zinc/80/86/88/1069808688.db2.gz WVXRQXNJDHVBQZ-DLBZAZTESA-N 1 0 411.547 -0.870 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000552537895 1069808305 /nfs/dbraw/zinc/80/83/05/1069808305.db2.gz WVXRQXNJDHVBQZ-IAGOWNOFSA-N 1 0 411.547 -0.870 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000552537896 1069808089 /nfs/dbraw/zinc/80/80/89/1069808089.db2.gz WVXRQXNJDHVBQZ-IRXDYDNUSA-N 1 0 411.547 -0.870 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000552537897 1069808462 /nfs/dbraw/zinc/80/84/62/1069808462.db2.gz WVXRQXNJDHVBQZ-SJORKVTESA-N 1 0 411.547 -0.870 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CCOCC3)CC2)c1 ZINC000552540108 1069809812 /nfs/dbraw/zinc/80/98/12/1069809812.db2.gz MRUVZJMWQCCANL-INIZCTEOSA-N 1 0 405.499 -0.177 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCOCC3)CC2)c1 ZINC000552540109 1069809144 /nfs/dbraw/zinc/80/91/44/1069809144.db2.gz MRUVZJMWQCCANL-MRXNPFEDSA-N 1 0 405.499 -0.177 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC000552547042 1069814374 /nfs/dbraw/zinc/81/43/74/1069814374.db2.gz BEENIPHGFBVZMK-HNNXBMFYSA-N 1 0 422.555 -0.509 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC000552547044 1069813941 /nfs/dbraw/zinc/81/39/41/1069813941.db2.gz BEENIPHGFBVZMK-OAHLLOKOSA-N 1 0 422.555 -0.509 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nnc2n1CCCCC2 ZINC000552548684 1069814169 /nfs/dbraw/zinc/81/41/69/1069814169.db2.gz DUMJQHOZUMFPIK-CABCVRRESA-N 1 0 419.530 -0.115 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nnc2n1CCCCC2 ZINC000552548685 1069813857 /nfs/dbraw/zinc/81/38/57/1069813857.db2.gz DUMJQHOZUMFPIK-HUUCEWRRSA-N 1 0 419.530 -0.115 20 0 HBADRO COc1ccc([C@H](CO)N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000552550436 1069814086 /nfs/dbraw/zinc/81/40/86/1069814086.db2.gz XHIIZTWHDVOPBQ-AEFFLSMTSA-N 1 0 420.510 -0.109 20 0 HBADRO COc1ccc([C@@H](CO)N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000552550437 1069814334 /nfs/dbraw/zinc/81/43/34/1069814334.db2.gz XHIIZTWHDVOPBQ-FUHWJXTLSA-N 1 0 420.510 -0.109 20 0 HBADRO COc1ccc([C@@H](CO)N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000552550438 1069813751 /nfs/dbraw/zinc/81/37/51/1069813751.db2.gz XHIIZTWHDVOPBQ-SJLPKXTDSA-N 1 0 420.510 -0.109 20 0 HBADRO COc1ccc([C@H](CO)N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000552550439 1069814269 /nfs/dbraw/zinc/81/42/69/1069814269.db2.gz XHIIZTWHDVOPBQ-WMZOPIPTSA-N 1 0 420.510 -0.109 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000552550476 1069814216 /nfs/dbraw/zinc/81/42/16/1069814216.db2.gz ZCMHOIRMGSXXMS-HNNXBMFYSA-N 1 0 424.523 -0.720 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000552550477 1069815061 /nfs/dbraw/zinc/81/50/61/1069815061.db2.gz ZCMHOIRMGSXXMS-OAHLLOKOSA-N 1 0 424.523 -0.720 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)C1 ZINC000552554872 1069815323 /nfs/dbraw/zinc/81/53/23/1069815323.db2.gz AJNHVLPREBJDMQ-INIZCTEOSA-N 1 0 402.499 -0.284 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)C1 ZINC000552554873 1069815741 /nfs/dbraw/zinc/81/57/41/1069815741.db2.gz AJNHVLPREBJDMQ-MRXNPFEDSA-N 1 0 402.499 -0.284 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000552557082 1069816751 /nfs/dbraw/zinc/81/67/51/1069816751.db2.gz OPUWAJRTSTVEJY-HNNXBMFYSA-N 1 0 403.483 -0.165 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000552557083 1069816184 /nfs/dbraw/zinc/81/61/84/1069816184.db2.gz OPUWAJRTSTVEJY-OAHLLOKOSA-N 1 0 403.483 -0.165 20 0 HBADRO Cn1nc(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000552557177 1069815777 /nfs/dbraw/zinc/81/57/77/1069815777.db2.gz PZPOYHCEXIAQOF-HNNXBMFYSA-N 1 0 414.510 -0.064 20 0 HBADRO Cn1nc(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000552557178 1069816816 /nfs/dbraw/zinc/81/68/16/1069816816.db2.gz PZPOYHCEXIAQOF-OAHLLOKOSA-N 1 0 414.510 -0.064 20 0 HBADRO CCNC(=O)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000552557237 1069816678 /nfs/dbraw/zinc/81/66/78/1069816678.db2.gz RJPBYMSJOVYPDV-KRWDZBQOSA-N 1 0 417.510 -0.244 20 0 HBADRO CCNC(=O)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000552557238 1069816289 /nfs/dbraw/zinc/81/62/89/1069816289.db2.gz RJPBYMSJOVYPDV-QGZVFWFLSA-N 1 0 417.510 -0.244 20 0 HBADRO Cn1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000552557392 1069815239 /nfs/dbraw/zinc/81/52/39/1069815239.db2.gz STQBVIZYUYMQPE-LLVKDONJSA-N 1 0 418.420 -0.241 20 0 HBADRO Cn1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000552557396 1069815372 /nfs/dbraw/zinc/81/53/72/1069815372.db2.gz STQBVIZYUYMQPE-NSHDSACASA-N 1 0 418.420 -0.241 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000552557727 1069811937 /nfs/dbraw/zinc/81/19/37/1069811937.db2.gz YRUUMZCBQPMVJL-INIZCTEOSA-N 1 0 410.515 -0.654 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000552557729 1069812208 /nfs/dbraw/zinc/81/22/08/1069812208.db2.gz YRUUMZCBQPMVJL-MRXNPFEDSA-N 1 0 410.515 -0.654 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000552558270 1069812696 /nfs/dbraw/zinc/81/26/96/1069812696.db2.gz DGVKZLAQCZUPIO-INIZCTEOSA-N 1 0 421.567 -0.074 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000552558271 1069812278 /nfs/dbraw/zinc/81/22/78/1069812278.db2.gz DGVKZLAQCZUPIO-MRXNPFEDSA-N 1 0 421.567 -0.074 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CO)C1 ZINC000552558545 1069812106 /nfs/dbraw/zinc/81/21/06/1069812106.db2.gz HTJLOYJRDOWIQC-AEFFLSMTSA-N 1 0 402.495 -0.192 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCc3ccccc3[C@H]2CO)C1 ZINC000552558546 1069811879 /nfs/dbraw/zinc/81/18/79/1069811879.db2.gz HTJLOYJRDOWIQC-FUHWJXTLSA-N 1 0 402.495 -0.192 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCc3ccccc3[C@H]2CO)C1 ZINC000552558547 1069812643 /nfs/dbraw/zinc/81/26/43/1069812643.db2.gz HTJLOYJRDOWIQC-SJLPKXTDSA-N 1 0 402.495 -0.192 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CO)C1 ZINC000552558548 1069812431 /nfs/dbraw/zinc/81/24/31/1069812431.db2.gz HTJLOYJRDOWIQC-WMZOPIPTSA-N 1 0 402.495 -0.192 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ncnn2-c2ccccc2)C1 ZINC000552558900 1069812838 /nfs/dbraw/zinc/81/28/38/1069812838.db2.gz KOQTVNUHUBNMGP-HNNXBMFYSA-N 1 0 413.482 -0.413 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ncnn2-c2ccccc2)C1 ZINC000552558901 1069812155 /nfs/dbraw/zinc/81/21/55/1069812155.db2.gz KOQTVNUHUBNMGP-OAHLLOKOSA-N 1 0 413.482 -0.413 20 0 HBADRO Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552561033 1069813304 /nfs/dbraw/zinc/81/33/04/1069813304.db2.gz UVVGIPZZJXTUNH-CVEARBPZSA-N 1 0 404.515 -0.170 20 0 HBADRO Cn1nccc1[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552561034 1069813230 /nfs/dbraw/zinc/81/32/30/1069813230.db2.gz UVVGIPZZJXTUNH-HOTGVXAUSA-N 1 0 404.515 -0.170 20 0 HBADRO Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552561035 1069813575 /nfs/dbraw/zinc/81/35/75/1069813575.db2.gz UVVGIPZZJXTUNH-HZPDHXFCSA-N 1 0 404.515 -0.170 20 0 HBADRO Cn1nccc1[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552561036 1069813453 /nfs/dbraw/zinc/81/34/53/1069813453.db2.gz UVVGIPZZJXTUNH-JKSUJKDBSA-N 1 0 404.515 -0.170 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000552564054 1069813179 /nfs/dbraw/zinc/81/31/79/1069813179.db2.gz OWXVRMZCGZOQSW-UHFFFAOYSA-N 1 0 411.528 -0.237 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)no1 ZINC000552566589 1069821193 /nfs/dbraw/zinc/82/11/93/1069821193.db2.gz HJAVQFIIBPXKNV-INIZCTEOSA-N 1 0 420.514 -0.669 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)no1 ZINC000552566590 1069821270 /nfs/dbraw/zinc/82/12/70/1069821270.db2.gz HJAVQFIIBPXKNV-MRXNPFEDSA-N 1 0 420.514 -0.669 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000552567313 1069821625 /nfs/dbraw/zinc/82/16/25/1069821625.db2.gz WAVUAXPTLYIPFV-CVEARBPZSA-N 1 0 417.514 -0.735 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000552567314 1069821566 /nfs/dbraw/zinc/82/15/66/1069821566.db2.gz WAVUAXPTLYIPFV-HOTGVXAUSA-N 1 0 417.514 -0.735 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000552567315 1069821428 /nfs/dbraw/zinc/82/14/28/1069821428.db2.gz WAVUAXPTLYIPFV-HZPDHXFCSA-N 1 0 417.514 -0.735 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000552567316 1069821301 /nfs/dbraw/zinc/82/13/01/1069821301.db2.gz WAVUAXPTLYIPFV-JKSUJKDBSA-N 1 0 417.514 -0.735 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000552568812 1069816497 /nfs/dbraw/zinc/81/64/97/1069816497.db2.gz WOKMXWVLRLDNBV-FGTMMUONSA-N 1 0 423.558 -0.550 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000552568813 1069816094 /nfs/dbraw/zinc/81/60/94/1069816094.db2.gz WOKMXWVLRLDNBV-KURKYZTESA-N 1 0 423.558 -0.550 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000552568814 1069815978 /nfs/dbraw/zinc/81/59/78/1069815978.db2.gz WOKMXWVLRLDNBV-KZNAEPCWSA-N 1 0 423.558 -0.550 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000552568815 1069816581 /nfs/dbraw/zinc/81/65/81/1069816581.db2.gz WOKMXWVLRLDNBV-SQNIBIBYSA-N 1 0 423.558 -0.550 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000552570342 1069816406 /nfs/dbraw/zinc/81/64/06/1069816406.db2.gz BSPBUWQFRQUJFM-UHFFFAOYSA-N 1 0 414.572 -0.069 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000552581410 1069817389 /nfs/dbraw/zinc/81/73/89/1069817389.db2.gz UMDSMQAJAQNZHY-UHFFFAOYSA-N 1 0 416.526 -0.163 20 0 HBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552582184 1069819170 /nfs/dbraw/zinc/81/91/70/1069819170.db2.gz BJFKMIJGEXEXID-UHFFFAOYSA-N 1 0 406.487 -0.718 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552582509 1069818121 /nfs/dbraw/zinc/81/81/21/1069818121.db2.gz NQGOBCOSLZYDTJ-UHFFFAOYSA-N 1 0 413.438 -0.925 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCCNC(=O)c1cnccn1)Cc1ccc(F)cc1 ZINC000552583832 1069820603 /nfs/dbraw/zinc/82/06/03/1069820603.db2.gz LTVZTBLFFBOQRQ-UHFFFAOYSA-N 1 0 402.430 -0.290 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552583939 1069819738 /nfs/dbraw/zinc/81/97/38/1069819738.db2.gz OKDLBECNBHODHC-CRAIPNDOSA-N 1 0 410.478 -0.041 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552583940 1069820431 /nfs/dbraw/zinc/82/04/31/1069820431.db2.gz OKDLBECNBHODHC-MAUKXSAKSA-N 1 0 410.478 -0.041 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552583941 1069820776 /nfs/dbraw/zinc/82/07/76/1069820776.db2.gz OKDLBECNBHODHC-QAPCUYQASA-N 1 0 410.478 -0.041 20 0 HBADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552583942 1069820537 /nfs/dbraw/zinc/82/05/37/1069820537.db2.gz OKDLBECNBHODHC-YJBOKZPZSA-N 1 0 410.478 -0.041 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552584138 1069820063 /nfs/dbraw/zinc/82/00/63/1069820063.db2.gz VIUNVCXTNWZVIF-UHFFFAOYSA-N 1 0 406.487 -0.672 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000552587586 1069826049 /nfs/dbraw/zinc/82/60/49/1069826049.db2.gz BNHOJZTXUXMBGH-UHFFFAOYSA-N 1 0 421.542 -0.338 20 0 HBADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552591821 1069823523 /nfs/dbraw/zinc/82/35/23/1069823523.db2.gz LILMECVLWUHNKZ-UHFFFAOYSA-N 1 0 404.515 -0.353 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1(C)C ZINC000552593317 1069823798 /nfs/dbraw/zinc/82/37/98/1069823798.db2.gz JLGIBLRHPYLUSF-UHFFFAOYSA-N 1 0 421.517 -0.257 20 0 HBADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000552593761 1069824054 /nfs/dbraw/zinc/82/40/54/1069824054.db2.gz TUZJXZCQAWONLQ-AEFFLSMTSA-N 1 0 403.527 0.000 20 0 HBADRO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000552593762 1069823873 /nfs/dbraw/zinc/82/38/73/1069823873.db2.gz TUZJXZCQAWONLQ-FUHWJXTLSA-N 1 0 403.527 0.000 20 0 HBADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000552593763 1069824160 /nfs/dbraw/zinc/82/41/60/1069824160.db2.gz TUZJXZCQAWONLQ-SJLPKXTDSA-N 1 0 403.527 0.000 20 0 HBADRO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000552593764 1069824391 /nfs/dbraw/zinc/82/43/91/1069824391.db2.gz TUZJXZCQAWONLQ-WMZOPIPTSA-N 1 0 403.527 0.000 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000552621521 1069827971 /nfs/dbraw/zinc/82/79/71/1069827971.db2.gz IIEGNADCVYTWCR-AWEZNQCLSA-N 1 0 414.528 -0.192 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000552621522 1069827574 /nfs/dbraw/zinc/82/75/74/1069827574.db2.gz IIEGNADCVYTWCR-CQSZACIVSA-N 1 0 414.528 -0.192 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCC[N@H+](C)CCOC)c1 ZINC000552622723 1069827276 /nfs/dbraw/zinc/82/72/76/1069827276.db2.gz IMKGYBHBGGDKSE-CYBMUJFWSA-N 1 0 400.501 -0.534 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCC[N@H+](C)CCOC)c1 ZINC000552622724 1069828492 /nfs/dbraw/zinc/82/84/92/1069828492.db2.gz IMKGYBHBGGDKSE-ZDUSSCGKSA-N 1 0 400.501 -0.534 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000552622750 1069828759 /nfs/dbraw/zinc/82/87/59/1069828759.db2.gz JRCHKPGQWHUINX-UHFFFAOYSA-N 1 0 423.489 -0.397 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000552623033 1069827637 /nfs/dbraw/zinc/82/76/37/1069827637.db2.gz XPYWRJWVORGDSC-UHFFFAOYSA-N 1 0 411.547 -0.726 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000552623060 1069827453 /nfs/dbraw/zinc/82/74/53/1069827453.db2.gz YOUDCSVOEXKBAK-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000552623061 1069827901 /nfs/dbraw/zinc/82/79/01/1069827901.db2.gz YOUDCSVOEXKBAK-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000552623089 1069827379 /nfs/dbraw/zinc/82/73/79/1069827379.db2.gz ZMWPIVVECXKMQM-UHFFFAOYSA-N 1 0 400.483 -0.095 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000552623819 1069825977 /nfs/dbraw/zinc/82/59/77/1069825977.db2.gz HHCFNTNBUPHPFY-UHFFFAOYSA-N 1 0 408.474 -0.267 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552624144 1069828317 /nfs/dbraw/zinc/82/83/17/1069828317.db2.gz XASDAQBBPARXEJ-UHFFFAOYSA-N 1 0 424.523 -0.716 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000552630494 1069830688 /nfs/dbraw/zinc/83/06/88/1069830688.db2.gz FSFSCVDVJLIEMN-UHFFFAOYSA-N 1 0 406.574 -0.671 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)no1 ZINC000552631282 1069593136 /nfs/dbraw/zinc/59/31/36/1069593136.db2.gz PNMQJDZHQSHVDU-UHFFFAOYSA-N 1 0 420.514 -0.086 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000552649764 1069831618 /nfs/dbraw/zinc/83/16/18/1069831618.db2.gz PDOCCXPYSFMTSI-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO O=C(CC1CCCC1)NCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000552659012 1069833073 /nfs/dbraw/zinc/83/30/73/1069833073.db2.gz DFBAELOFAGVENN-UHFFFAOYSA-N 1 0 421.542 -0.434 20 0 HBADRO CCC(=O)N1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552662175 1069832906 /nfs/dbraw/zinc/83/29/06/1069832906.db2.gz GKEHWYXSDSSNAA-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663473 1069832984 /nfs/dbraw/zinc/83/29/84/1069832984.db2.gz CEVWBASCFQXBBC-DOTOQJQBSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663481 1069832548 /nfs/dbraw/zinc/83/25/48/1069832548.db2.gz CEVWBASCFQXBBC-NVXWUHKLSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663483 1069833847 /nfs/dbraw/zinc/83/38/47/1069833847.db2.gz CEVWBASCFQXBBC-RDJZCZTQSA-N 1 0 405.499 -0.240 20 0 HBADRO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663484 1069833588 /nfs/dbraw/zinc/83/35/88/1069833588.db2.gz CEVWBASCFQXBBC-WBVHZDCISA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663670 1069833889 /nfs/dbraw/zinc/83/38/89/1069833889.db2.gz HNTXZQNWVNGNFE-DLBZAZTESA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663671 1069833260 /nfs/dbraw/zinc/83/32/60/1069833260.db2.gz HNTXZQNWVNGNFE-IAGOWNOFSA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663673 1069834109 /nfs/dbraw/zinc/83/41/09/1069834109.db2.gz HNTXZQNWVNGNFE-IRXDYDNUSA-N 1 0 405.499 -0.240 20 0 HBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663674 1069833934 /nfs/dbraw/zinc/83/39/34/1069833934.db2.gz HNTXZQNWVNGNFE-SJORKVTESA-N 1 0 405.499 -0.240 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000552663756 1069833787 /nfs/dbraw/zinc/83/37/87/1069833787.db2.gz JPAIWUIYRAOSKO-DLBZAZTESA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000552663761 1069833502 /nfs/dbraw/zinc/83/35/02/1069833502.db2.gz JPAIWUIYRAOSKO-IAGOWNOFSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000552663762 1069834284 /nfs/dbraw/zinc/83/42/84/1069834284.db2.gz JPAIWUIYRAOSKO-IRXDYDNUSA-N 1 0 414.510 -0.281 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000552663763 1069834554 /nfs/dbraw/zinc/83/45/54/1069834554.db2.gz JPAIWUIYRAOSKO-SJORKVTESA-N 1 0 414.510 -0.281 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000552663902 1069833737 /nfs/dbraw/zinc/83/37/37/1069833737.db2.gz LEGMLDPBJUSYQI-DOTOQJQBSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000552663903 1069833311 /nfs/dbraw/zinc/83/33/11/1069833311.db2.gz LEGMLDPBJUSYQI-NVXWUHKLSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000552663904 1069833378 /nfs/dbraw/zinc/83/33/78/1069833378.db2.gz LEGMLDPBJUSYQI-RDJZCZTQSA-N 1 0 405.499 -0.288 20 0 HBADRO COC[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000552663905 1069833682 /nfs/dbraw/zinc/83/36/82/1069833682.db2.gz LEGMLDPBJUSYQI-WBVHZDCISA-N 1 0 405.499 -0.288 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663906 1069833994 /nfs/dbraw/zinc/83/39/94/1069833994.db2.gz LIXHZRVDLGEDEU-INIZCTEOSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552663907 1069833543 /nfs/dbraw/zinc/83/35/43/1069833543.db2.gz LIXHZRVDLGEDEU-MRXNPFEDSA-N 1 0 404.515 -0.714 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000552664095 1069834050 /nfs/dbraw/zinc/83/40/50/1069834050.db2.gz SOGUFANJJWOJQF-MUUNZHRXSA-N 1 0 407.540 -0.133 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000552664096 1069833638 /nfs/dbraw/zinc/83/36/38/1069833638.db2.gz SOGUFANJJWOJQF-NDEPHWFRSA-N 1 0 407.540 -0.133 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCCN2CCCCC2=O)CC1 ZINC000552665600 1069834805 /nfs/dbraw/zinc/83/48/05/1069834805.db2.gz SIQIXSANMXBMIC-UHFFFAOYSA-N 1 0 416.526 -0.032 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1=O ZINC000552667819 1069835980 /nfs/dbraw/zinc/83/59/80/1069835980.db2.gz LTEFIKBIICSGEO-UHFFFAOYSA-N 1 0 416.526 -0.224 20 0 HBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552668422 1069835927 /nfs/dbraw/zinc/83/59/27/1069835927.db2.gz AFRJHWOBSYGYQA-KRWDZBQOSA-N 1 0 418.542 -0.371 20 0 HBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552668423 1069836185 /nfs/dbraw/zinc/83/61/85/1069836185.db2.gz AFRJHWOBSYGYQA-QGZVFWFLSA-N 1 0 418.542 -0.371 20 0 HBADRO CC(=O)N1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552669623 1069836301 /nfs/dbraw/zinc/83/63/01/1069836301.db2.gz KODKVRQSVWFGFV-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000552670388 1069836134 /nfs/dbraw/zinc/83/61/34/1069836134.db2.gz ASPKNIINXVRBPQ-INIZCTEOSA-N 1 0 402.499 -0.425 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000552670389 1069835806 /nfs/dbraw/zinc/83/58/06/1069835806.db2.gz ASPKNIINXVRBPQ-MRXNPFEDSA-N 1 0 402.499 -0.425 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000552685997 1069835860 /nfs/dbraw/zinc/83/58/60/1069835860.db2.gz TUGZYZOPKSOPKF-HNNXBMFYSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000552685998 1069836338 /nfs/dbraw/zinc/83/63/38/1069836338.db2.gz TUGZYZOPKSOPKF-OAHLLOKOSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCC(C)CC1 ZINC000552687641 1069839919 /nfs/dbraw/zinc/83/99/19/1069839919.db2.gz QPDBLOFDTVSTBA-INIZCTEOSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCC(C)CC1 ZINC000552687642 1069840148 /nfs/dbraw/zinc/84/01/48/1069840148.db2.gz QPDBLOFDTVSTBA-MRXNPFEDSA-N 1 0 404.515 -0.335 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000552688625 1069839733 /nfs/dbraw/zinc/83/97/33/1069839733.db2.gz DPWNLAXDAORGIJ-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000552688626 1069839855 /nfs/dbraw/zinc/83/98/55/1069839855.db2.gz DPWNLAXDAORGIJ-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000552695994 1069841812 /nfs/dbraw/zinc/84/18/12/1069841812.db2.gz PBUSRZQOMRPWBE-CVEARBPZSA-N 1 0 417.514 -0.770 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000552695995 1069841264 /nfs/dbraw/zinc/84/12/64/1069841264.db2.gz PBUSRZQOMRPWBE-HOTGVXAUSA-N 1 0 417.514 -0.770 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000552695996 1069841428 /nfs/dbraw/zinc/84/14/28/1069841428.db2.gz PBUSRZQOMRPWBE-HZPDHXFCSA-N 1 0 417.514 -0.770 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000552695997 1069841937 /nfs/dbraw/zinc/84/19/37/1069841937.db2.gz PBUSRZQOMRPWBE-JKSUJKDBSA-N 1 0 417.514 -0.770 20 0 HBADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552700721 1069837959 /nfs/dbraw/zinc/83/79/59/1069837959.db2.gz BWXAMJRCPIZTHS-UHFFFAOYSA-N 1 0 405.503 -0.958 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552701235 1069837342 /nfs/dbraw/zinc/83/73/42/1069837342.db2.gz YUGWTDAMZKVCTB-INIZCTEOSA-N 1 0 417.514 -0.768 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552701236 1069837484 /nfs/dbraw/zinc/83/74/84/1069837484.db2.gz YUGWTDAMZKVCTB-MRXNPFEDSA-N 1 0 417.514 -0.768 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000552707197 1069843259 /nfs/dbraw/zinc/84/32/59/1069843259.db2.gz YPYSKKUOSDIMGA-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000552707198 1069843375 /nfs/dbraw/zinc/84/33/75/1069843375.db2.gz YPYSKKUOSDIMGA-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO CN(CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000552735482 1069845375 /nfs/dbraw/zinc/84/53/75/1069845375.db2.gz YIIVQZRCNHXBGK-CYBMUJFWSA-N 1 0 407.437 -0.638 20 0 HBADRO CN(CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000552735483 1069845225 /nfs/dbraw/zinc/84/52/25/1069845225.db2.gz YIIVQZRCNHXBGK-ZDUSSCGKSA-N 1 0 407.437 -0.638 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCN(C)CC(F)(F)F)CC1 ZINC000552736029 1069845276 /nfs/dbraw/zinc/84/52/76/1069845276.db2.gz IMZLGMPHQHQPDO-UHFFFAOYSA-N 1 0 409.453 -0.344 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000552747654 1069846382 /nfs/dbraw/zinc/84/63/82/1069846382.db2.gz SAELJSURFFGZAC-AWEZNQCLSA-N 1 0 402.503 -0.142 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000552747655 1069846046 /nfs/dbraw/zinc/84/60/46/1069846046.db2.gz SAELJSURFFGZAC-CQSZACIVSA-N 1 0 402.503 -0.142 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)C1CC1 ZINC000552747813 1069846290 /nfs/dbraw/zinc/84/62/90/1069846290.db2.gz YCAFMABZCRAPEN-UHFFFAOYSA-N 1 0 418.560 -0.514 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C1CC1 ZINC000552749256 1069846112 /nfs/dbraw/zinc/84/61/12/1069846112.db2.gz ZSJCFHSODZHEFT-AWEZNQCLSA-N 1 0 400.487 -0.238 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C1CC1 ZINC000552749257 1069846219 /nfs/dbraw/zinc/84/62/19/1069846219.db2.gz ZSJCFHSODZHEFT-CQSZACIVSA-N 1 0 400.487 -0.238 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1)C1CC1 ZINC000552750449 1069846251 /nfs/dbraw/zinc/84/62/51/1069846251.db2.gz ZHMZNUQBYKYGJN-HNNXBMFYSA-N 1 0 417.470 -0.030 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1)C1CC1 ZINC000552750450 1069846335 /nfs/dbraw/zinc/84/63/35/1069846335.db2.gz ZHMZNUQBYKYGJN-OAHLLOKOSA-N 1 0 417.470 -0.030 20 0 HBADRO CN(CCn1cccn1)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552760903 1069847830 /nfs/dbraw/zinc/84/78/30/1069847830.db2.gz AMLGBFRYVWJKEI-UHFFFAOYSA-N 1 0 400.483 -0.051 20 0 HBADRO COCCN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000552761449 1069847589 /nfs/dbraw/zinc/84/75/89/1069847589.db2.gz SRRMNPHJXJWDEY-UHFFFAOYSA-N 1 0 419.526 -0.615 20 0 HBADRO C[C@H]1c2nncn2CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552761571 1069847642 /nfs/dbraw/zinc/84/76/42/1069847642.db2.gz XSBGATGTJCQAAG-AWEZNQCLSA-N 1 0 413.482 -0.211 20 0 HBADRO C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552761572 1069847850 /nfs/dbraw/zinc/84/78/50/1069847850.db2.gz XSBGATGTJCQAAG-CQSZACIVSA-N 1 0 413.482 -0.211 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000552762647 1069847664 /nfs/dbraw/zinc/84/76/64/1069847664.db2.gz ISXXYGFVXVORGE-BZSNNMDCSA-N 1 0 402.495 -0.177 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000552762648 1069847561 /nfs/dbraw/zinc/84/75/61/1069847561.db2.gz ISXXYGFVXVORGE-KSZLIROESA-N 1 0 402.495 -0.177 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000552762649 1069847752 /nfs/dbraw/zinc/84/77/52/1069847752.db2.gz ISXXYGFVXVORGE-OKZBNKHCSA-N 1 0 402.495 -0.177 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000552762650 1069847796 /nfs/dbraw/zinc/84/77/96/1069847796.db2.gz ISXXYGFVXVORGE-RCCFBDPRSA-N 1 0 402.495 -0.177 20 0 HBADRO Cc1c(CNC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cnn1C ZINC000552763092 1069847534 /nfs/dbraw/zinc/84/75/34/1069847534.db2.gz UDFSPYZQRCBPLC-UHFFFAOYSA-N 1 0 400.483 -0.047 20 0 HBADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552763135 1069847813 /nfs/dbraw/zinc/84/78/13/1069847813.db2.gz VLNGTXDICZIUGD-UHFFFAOYSA-N 1 0 405.499 -0.517 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)CC1=O ZINC000552766391 1069848146 /nfs/dbraw/zinc/84/81/46/1069848146.db2.gz DAEUAAHTDRQBHV-CABCVRRESA-N 1 0 401.529 -0.625 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)CC1=O ZINC000552766396 1069848227 /nfs/dbraw/zinc/84/82/27/1069848227.db2.gz DAEUAAHTDRQBHV-GJZGRUSLSA-N 1 0 401.529 -0.625 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)CC1=O ZINC000552766397 1069848498 /nfs/dbraw/zinc/84/84/98/1069848498.db2.gz DAEUAAHTDRQBHV-HUUCEWRRSA-N 1 0 401.529 -0.625 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CCS(=O)(=O)CC2)CC1=O ZINC000552766398 1069848267 /nfs/dbraw/zinc/84/82/67/1069848267.db2.gz DAEUAAHTDRQBHV-LSDHHAIUSA-N 1 0 401.529 -0.625 20 0 HBADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000552770864 1069849160 /nfs/dbraw/zinc/84/91/60/1069849160.db2.gz JAARHZROGCFWRI-AWEZNQCLSA-N 1 0 411.484 -0.157 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 ZINC000552776424 1069850548 /nfs/dbraw/zinc/85/05/48/1069850548.db2.gz FZQIGPWOZFNGLO-KRWDZBQOSA-N 1 0 412.494 -0.009 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1 ZINC000552776425 1069851118 /nfs/dbraw/zinc/85/11/18/1069851118.db2.gz FZQIGPWOZFNGLO-QGZVFWFLSA-N 1 0 412.494 -0.009 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1=O ZINC000552776614 1069849830 /nfs/dbraw/zinc/84/98/30/1069849830.db2.gz LKPQCVRLDIALEX-HNNXBMFYSA-N 1 0 417.510 -0.327 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1=O ZINC000552776615 1069850663 /nfs/dbraw/zinc/85/06/63/1069850663.db2.gz LKPQCVRLDIALEX-OAHLLOKOSA-N 1 0 417.510 -0.327 20 0 HBADRO COCC1(O)CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000552777269 1069850806 /nfs/dbraw/zinc/85/08/06/1069850806.db2.gz YXTWPJGERMRHPM-UHFFFAOYSA-N 1 0 420.510 -0.406 20 0 HBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552777817 1069852178 /nfs/dbraw/zinc/85/21/78/1069852178.db2.gz HXILCXGIJRAQSH-AWEZNQCLSA-N 1 0 418.416 -0.024 20 0 HBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552777819 1069851933 /nfs/dbraw/zinc/85/19/33/1069851933.db2.gz HXILCXGIJRAQSH-CQSZACIVSA-N 1 0 418.416 -0.024 20 0 HBADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552778284 1069850883 /nfs/dbraw/zinc/85/08/83/1069850883.db2.gz RMVAIWICBVSDDV-UHFFFAOYSA-N 1 0 415.498 -0.229 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1=O ZINC000552778443 1069851284 /nfs/dbraw/zinc/85/12/84/1069851284.db2.gz WRGZCUPMGPOPTH-UHFFFAOYSA-N 1 0 403.483 -0.715 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cnc2n(C)c1=O ZINC000552793882 1069854072 /nfs/dbraw/zinc/85/40/72/1069854072.db2.gz HJVXMTFMRGUGBQ-GFCCVEGCSA-N 1 0 414.466 -0.296 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cnc2n(C)c1=O ZINC000552793883 1069854506 /nfs/dbraw/zinc/85/45/06/1069854506.db2.gz HJVXMTFMRGUGBQ-LBPRGKRZSA-N 1 0 414.466 -0.296 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000552801242 1069856004 /nfs/dbraw/zinc/85/60/04/1069856004.db2.gz AGJQQYQBDOTAMA-INIZCTEOSA-N 1 0 403.483 -0.269 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000552801243 1069855371 /nfs/dbraw/zinc/85/53/71/1069855371.db2.gz AGJQQYQBDOTAMA-MRXNPFEDSA-N 1 0 403.483 -0.269 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CCOCC1 ZINC000552801380 1069855936 /nfs/dbraw/zinc/85/59/36/1069855936.db2.gz DXNIUKINCKQHSB-BBWFWOEESA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N1CCOCC1 ZINC000552801381 1069855657 /nfs/dbraw/zinc/85/56/57/1069855657.db2.gz DXNIUKINCKQHSB-GVDBMIGSSA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)N1CCOCC1 ZINC000552801382 1069855142 /nfs/dbraw/zinc/85/51/42/1069855142.db2.gz DXNIUKINCKQHSB-ULQDDVLXSA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)N1CCOCC1 ZINC000552801383 1069855757 /nfs/dbraw/zinc/85/57/57/1069855757.db2.gz DXNIUKINCKQHSB-YESZJQIVSA-N 1 0 411.547 -0.729 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000552801446 1069855025 /nfs/dbraw/zinc/85/50/25/1069855025.db2.gz GPRARIMCXGCSGS-INIZCTEOSA-N 1 0 411.547 -0.728 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000552801447 1069855800 /nfs/dbraw/zinc/85/58/00/1069855800.db2.gz GPRARIMCXGCSGS-MRXNPFEDSA-N 1 0 411.547 -0.728 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000552801535 1069855582 /nfs/dbraw/zinc/85/55/82/1069855582.db2.gz JBYBEQJHPYRICC-MSOLQXFVSA-N 1 0 424.542 -0.301 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000552801536 1069854944 /nfs/dbraw/zinc/85/49/44/1069854944.db2.gz JBYBEQJHPYRICC-QZTJIDSGSA-N 1 0 424.542 -0.301 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000552801537 1069855832 /nfs/dbraw/zinc/85/58/32/1069855832.db2.gz JBYBEQJHPYRICC-ROUUACIJSA-N 1 0 424.542 -0.301 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000552801538 1069855317 /nfs/dbraw/zinc/85/53/17/1069855317.db2.gz JBYBEQJHPYRICC-ZWKOTPCHSA-N 1 0 424.542 -0.301 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000552801924 1069857002 /nfs/dbraw/zinc/85/70/02/1069857002.db2.gz VCBTZOSPQSSIJJ-INIZCTEOSA-N 1 0 422.530 -0.334 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000552801925 1069856422 /nfs/dbraw/zinc/85/64/22/1069856422.db2.gz VCBTZOSPQSSIJJ-MRXNPFEDSA-N 1 0 422.530 -0.334 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000552802128 1069856670 /nfs/dbraw/zinc/85/66/70/1069856670.db2.gz YWPKXJJKJCOOCV-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000552802129 1069855430 /nfs/dbraw/zinc/85/54/30/1069855430.db2.gz YWPKXJJKJCOOCV-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO CC(C)OC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000552802142 1069855871 /nfs/dbraw/zinc/85/58/71/1069855871.db2.gz ZNNDXZVSQPKYFJ-DLBZAZTESA-N 1 0 412.531 -0.302 20 0 HBADRO CC(C)OC[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000552802143 1069854873 /nfs/dbraw/zinc/85/48/73/1069854873.db2.gz ZNNDXZVSQPKYFJ-IAGOWNOFSA-N 1 0 412.531 -0.302 20 0 HBADRO CC(C)OC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000552802144 1069857270 /nfs/dbraw/zinc/85/72/70/1069857270.db2.gz ZNNDXZVSQPKYFJ-IRXDYDNUSA-N 1 0 412.531 -0.302 20 0 HBADRO CC(C)OC[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000552802145 1069856358 /nfs/dbraw/zinc/85/63/58/1069856358.db2.gz ZNNDXZVSQPKYFJ-SJORKVTESA-N 1 0 412.531 -0.302 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000552802730 1069856082 /nfs/dbraw/zinc/85/60/82/1069856082.db2.gz FEHXIVODFLGMHJ-INIZCTEOSA-N 1 0 423.558 -0.190 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000552802731 1069855248 /nfs/dbraw/zinc/85/52/48/1069855248.db2.gz FEHXIVODFLGMHJ-MRXNPFEDSA-N 1 0 423.558 -0.190 20 0 HBADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000552802837 1069856882 /nfs/dbraw/zinc/85/68/82/1069856882.db2.gz HJKYRTLGXPXMNC-ILXRZTDVSA-N 1 0 418.560 -0.675 20 0 HBADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000552802838 1069856586 /nfs/dbraw/zinc/85/65/86/1069856586.db2.gz HJKYRTLGXPXMNC-KFWWJZLASA-N 1 0 418.560 -0.675 20 0 HBADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000552802839 1069857548 /nfs/dbraw/zinc/85/75/48/1069857548.db2.gz HJKYRTLGXPXMNC-QLFBSQMISA-N 1 0 418.560 -0.675 20 0 HBADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000552802840 1069856931 /nfs/dbraw/zinc/85/69/31/1069856931.db2.gz HJKYRTLGXPXMNC-RBSFLKMASA-N 1 0 418.560 -0.675 20 0 HBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC000552803125 1069856841 /nfs/dbraw/zinc/85/68/41/1069856841.db2.gz NHKRRJIDAQDXJL-INIZCTEOSA-N 1 0 423.558 -0.097 20 0 HBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC000552803126 1069858392 /nfs/dbraw/zinc/85/83/92/1069858392.db2.gz NHKRRJIDAQDXJL-MRXNPFEDSA-N 1 0 423.558 -0.097 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000552803467 1069857145 /nfs/dbraw/zinc/85/71/45/1069857145.db2.gz SEAIAGFHIDSYNS-AEFFLSMTSA-N 1 0 418.542 -0.130 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000552803469 1069857368 /nfs/dbraw/zinc/85/73/68/1069857368.db2.gz SEAIAGFHIDSYNS-FUHWJXTLSA-N 1 0 418.542 -0.130 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000552803470 1069857439 /nfs/dbraw/zinc/85/74/39/1069857439.db2.gz SEAIAGFHIDSYNS-SJLPKXTDSA-N 1 0 418.542 -0.130 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000552803471 1069856499 /nfs/dbraw/zinc/85/64/99/1069856499.db2.gz SEAIAGFHIDSYNS-WMZOPIPTSA-N 1 0 418.542 -0.130 20 0 HBADRO CCCN1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000552803958 1069851726 /nfs/dbraw/zinc/85/17/26/1069851726.db2.gz YACBRGXLMSICOP-INIZCTEOSA-N 1 0 409.531 -0.484 20 0 HBADRO CCCN1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000552803961 1069851871 /nfs/dbraw/zinc/85/18/71/1069851871.db2.gz YACBRGXLMSICOP-MRXNPFEDSA-N 1 0 409.531 -0.484 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000552805011 1069852960 /nfs/dbraw/zinc/85/29/60/1069852960.db2.gz PICITFCHQGFLLP-CABCVRRESA-N 1 0 416.544 -0.919 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000552805015 1069853014 /nfs/dbraw/zinc/85/30/14/1069853014.db2.gz PICITFCHQGFLLP-GJZGRUSLSA-N 1 0 416.544 -0.919 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000552805016 1069852872 /nfs/dbraw/zinc/85/28/72/1069852872.db2.gz PICITFCHQGFLLP-HUUCEWRRSA-N 1 0 416.544 -0.919 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000552805017 1069852591 /nfs/dbraw/zinc/85/25/91/1069852591.db2.gz PICITFCHQGFLLP-LSDHHAIUSA-N 1 0 416.544 -0.919 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000552805319 1069851567 /nfs/dbraw/zinc/85/15/67/1069851567.db2.gz XHJLAJBNWXWZBR-CVEARBPZSA-N 1 0 410.515 -0.153 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000552805320 1069851991 /nfs/dbraw/zinc/85/19/91/1069851991.db2.gz XHJLAJBNWXWZBR-HZPDHXFCSA-N 1 0 410.515 -0.153 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000552827371 1069861231 /nfs/dbraw/zinc/86/12/31/1069861231.db2.gz QWOVHDRXHWTALY-MOPGFXCFSA-N 1 0 402.495 -0.012 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000552827373 1069860522 /nfs/dbraw/zinc/86/05/22/1069860522.db2.gz QWOVHDRXHWTALY-OALUTQOASA-N 1 0 402.495 -0.012 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000552827374 1069860585 /nfs/dbraw/zinc/86/05/85/1069860585.db2.gz QWOVHDRXHWTALY-RBUKOAKNSA-N 1 0 402.495 -0.012 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000552827375 1069860976 /nfs/dbraw/zinc/86/09/76/1069860976.db2.gz QWOVHDRXHWTALY-RTBURBONSA-N 1 0 402.495 -0.012 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCn3cnnc3C2)c1 ZINC000552854732 1069863132 /nfs/dbraw/zinc/86/31/32/1069863132.db2.gz APLNJORQTMMRKW-UHFFFAOYSA-N 1 0 416.482 -0.106 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N1CCOCC1 ZINC000552861858 1069864297 /nfs/dbraw/zinc/86/42/97/1069864297.db2.gz VDPKJUWERCXIMT-DLBZAZTESA-N 1 0 409.575 -0.113 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](C)N1CCOCC1 ZINC000552861859 1069864134 /nfs/dbraw/zinc/86/41/34/1069864134.db2.gz VDPKJUWERCXIMT-IAGOWNOFSA-N 1 0 409.575 -0.113 20 0 HBADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000552861860 1069864271 /nfs/dbraw/zinc/86/42/71/1069864271.db2.gz VDPKJUWERCXIMT-IRXDYDNUSA-N 1 0 409.575 -0.113 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000552861861 1069864080 /nfs/dbraw/zinc/86/40/80/1069864080.db2.gz VDPKJUWERCXIMT-SJORKVTESA-N 1 0 409.575 -0.113 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000552864874 1069864798 /nfs/dbraw/zinc/86/47/98/1069864798.db2.gz SXWGWAIAWZQZMN-UHFFFAOYSA-N 1 0 413.486 -0.162 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2)CC1 ZINC000552864914 1069864584 /nfs/dbraw/zinc/86/45/84/1069864584.db2.gz UPTYIJNZNYUDGT-UHFFFAOYSA-N 1 0 419.448 -0.148 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000552867407 1069864936 /nfs/dbraw/zinc/86/49/36/1069864936.db2.gz JKLHJTPFKKKNKG-UHFFFAOYSA-N 1 0 419.526 -0.512 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000552882753 1069870358 /nfs/dbraw/zinc/87/03/58/1069870358.db2.gz YQYJRZABQMXKQF-FXAWDEMLSA-N 1 0 418.538 -0.046 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000552882754 1069870280 /nfs/dbraw/zinc/87/02/80/1069870280.db2.gz YQYJRZABQMXKQF-PXNSSMCTSA-N 1 0 418.538 -0.046 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCOCC1 ZINC000552882755 1069869857 /nfs/dbraw/zinc/86/98/57/1069869857.db2.gz YQYJRZABQMXKQF-XLIONFOSSA-N 1 0 418.538 -0.046 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCOCC1 ZINC000552882756 1069869987 /nfs/dbraw/zinc/86/99/87/1069869987.db2.gz YQYJRZABQMXKQF-YLJYHZDGSA-N 1 0 418.538 -0.046 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000552884862 1069865608 /nfs/dbraw/zinc/86/56/08/1069865608.db2.gz OHMCJIFZRFXHIA-KRWDZBQOSA-N 1 0 411.547 -0.917 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000552884863 1069866039 /nfs/dbraw/zinc/86/60/39/1069866039.db2.gz OHMCJIFZRFXHIA-QGZVFWFLSA-N 1 0 411.547 -0.917 20 0 HBADRO Cc1nccn1CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000552887668 1069866874 /nfs/dbraw/zinc/86/68/74/1069866874.db2.gz UIZOUWHTURYFIB-UHFFFAOYSA-N 1 0 414.514 -0.184 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000552888467 1069867742 /nfs/dbraw/zinc/86/77/42/1069867742.db2.gz JAEIQMWZDIJEHC-UHFFFAOYSA-N 1 0 415.516 -0.503 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000552891573 1069867888 /nfs/dbraw/zinc/86/78/88/1069867888.db2.gz CNUHLRAZQQFDSU-INIZCTEOSA-N 1 0 409.531 -0.401 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000552891574 1069868025 /nfs/dbraw/zinc/86/80/25/1069868025.db2.gz CNUHLRAZQQFDSU-MRXNPFEDSA-N 1 0 409.531 -0.401 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552891867 1069867461 /nfs/dbraw/zinc/86/74/61/1069867461.db2.gz NNXJGGUQASIFDF-KRWDZBQOSA-N 1 0 411.547 -0.741 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552891868 1069868146 /nfs/dbraw/zinc/86/81/46/1069868146.db2.gz NNXJGGUQASIFDF-QGZVFWFLSA-N 1 0 411.547 -0.741 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1c1ncc[nH]1 ZINC000552892169 1069867557 /nfs/dbraw/zinc/86/75/57/1069867557.db2.gz WKFADKNMYIGYBA-CVEARBPZSA-N 1 0 419.530 -0.682 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H]1c1ncc[nH]1 ZINC000552892170 1069867669 /nfs/dbraw/zinc/86/76/69/1069867669.db2.gz WKFADKNMYIGYBA-HOTGVXAUSA-N 1 0 419.530 -0.682 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1c1ncc[nH]1 ZINC000552892171 1069867957 /nfs/dbraw/zinc/86/79/57/1069867957.db2.gz WKFADKNMYIGYBA-HZPDHXFCSA-N 1 0 419.530 -0.682 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1c1ncc[nH]1 ZINC000552892172 1069868227 /nfs/dbraw/zinc/86/82/27/1069868227.db2.gz WKFADKNMYIGYBA-JKSUJKDBSA-N 1 0 419.530 -0.682 20 0 HBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552892936 1069869313 /nfs/dbraw/zinc/86/93/13/1069869313.db2.gz FVATWHOBSUDZQA-CVEARBPZSA-N 1 0 418.494 -0.012 20 0 HBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552892937 1069868965 /nfs/dbraw/zinc/86/89/65/1069868965.db2.gz FVATWHOBSUDZQA-HOTGVXAUSA-N 1 0 418.494 -0.012 20 0 HBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552892938 1069869261 /nfs/dbraw/zinc/86/92/61/1069869261.db2.gz FVATWHOBSUDZQA-HZPDHXFCSA-N 1 0 418.494 -0.012 20 0 HBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552892939 1069868595 /nfs/dbraw/zinc/86/85/95/1069868595.db2.gz FVATWHOBSUDZQA-JKSUJKDBSA-N 1 0 418.494 -0.012 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000552893048 1069869367 /nfs/dbraw/zinc/86/93/67/1069869367.db2.gz KCFFVWBHMGWXIT-HNNXBMFYSA-N 1 0 422.555 -0.115 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000552893049 1069869107 /nfs/dbraw/zinc/86/91/07/1069869107.db2.gz KCFFVWBHMGWXIT-OAHLLOKOSA-N 1 0 422.555 -0.115 20 0 HBADRO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000552893347 1069868066 /nfs/dbraw/zinc/86/80/66/1069868066.db2.gz UKZRHHBGLZAWFT-CVEARBPZSA-N 1 0 404.515 -0.111 20 0 HBADRO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000552893348 1069867846 /nfs/dbraw/zinc/86/78/46/1069867846.db2.gz UKZRHHBGLZAWFT-HOTGVXAUSA-N 1 0 404.515 -0.111 20 0 HBADRO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000552893349 1069868808 /nfs/dbraw/zinc/86/88/08/1069868808.db2.gz UKZRHHBGLZAWFT-HZPDHXFCSA-N 1 0 404.515 -0.111 20 0 HBADRO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000552893350 1069868759 /nfs/dbraw/zinc/86/87/59/1069868759.db2.gz UKZRHHBGLZAWFT-JKSUJKDBSA-N 1 0 404.515 -0.111 20 0 HBADRO Cc1ccncc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552893369 1069869215 /nfs/dbraw/zinc/86/92/15/1069869215.db2.gz VEWZXBNKEJAMLV-KRWDZBQOSA-N 1 0 416.526 -0.258 20 0 HBADRO Cc1ccncc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552893370 1069869176 /nfs/dbraw/zinc/86/91/76/1069869176.db2.gz VEWZXBNKEJAMLV-QGZVFWFLSA-N 1 0 416.526 -0.258 20 0 HBADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552894409 1069868656 /nfs/dbraw/zinc/86/86/56/1069868656.db2.gz RCAQGSNCTDSAKB-HNNXBMFYSA-N 1 0 404.515 -0.119 20 0 HBADRO CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552894410 1069868504 /nfs/dbraw/zinc/86/85/04/1069868504.db2.gz RCAQGSNCTDSAKB-OAHLLOKOSA-N 1 0 404.515 -0.119 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000552895392 1069871944 /nfs/dbraw/zinc/87/19/44/1069871944.db2.gz IBZPZOHREQVVAG-INIZCTEOSA-N 1 0 417.510 -0.256 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000552895393 1069872883 /nfs/dbraw/zinc/87/28/83/1069872883.db2.gz IBZPZOHREQVVAG-MRXNPFEDSA-N 1 0 417.510 -0.256 20 0 HBADRO Cc1ccn2cc(CNC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)nc2c1 ZINC000552897182 1069873150 /nfs/dbraw/zinc/87/31/50/1069873150.db2.gz SCIWLIVQGGYYMD-HNNXBMFYSA-N 1 0 400.483 -0.037 20 0 HBADRO Cc1ccn2cc(CNC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)nc2c1 ZINC000552897183 1069873678 /nfs/dbraw/zinc/87/36/78/1069873678.db2.gz SCIWLIVQGGYYMD-OAHLLOKOSA-N 1 0 400.483 -0.037 20 0 HBADRO Cc1csc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000552897408 1069873718 /nfs/dbraw/zinc/87/37/18/1069873718.db2.gz CHVCGACPWFLQEQ-HNNXBMFYSA-N 1 0 422.555 -0.196 20 0 HBADRO Cc1csc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000552897409 1069873442 /nfs/dbraw/zinc/87/34/42/1069873442.db2.gz CHVCGACPWFLQEQ-OAHLLOKOSA-N 1 0 422.555 -0.196 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000552897519 1069871978 /nfs/dbraw/zinc/87/19/78/1069871978.db2.gz HGTVFXVWNLDHAD-CYBMUJFWSA-N 1 0 407.437 -0.604 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000552897520 1069872834 /nfs/dbraw/zinc/87/28/34/1069872834.db2.gz HGTVFXVWNLDHAD-ZDUSSCGKSA-N 1 0 407.437 -0.604 20 0 HBADRO Cc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000552899257 1069873541 /nfs/dbraw/zinc/87/35/41/1069873541.db2.gz NFWOLGGOYIYMBW-KRWDZBQOSA-N 1 0 416.526 -0.258 20 0 HBADRO Cc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000552899258 1069873369 /nfs/dbraw/zinc/87/33/69/1069873369.db2.gz NFWOLGGOYIYMBW-QGZVFWFLSA-N 1 0 416.526 -0.258 20 0 HBADRO CN(C)c1ncc(CN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000552899657 1069873271 /nfs/dbraw/zinc/87/32/71/1069873271.db2.gz SRTVOSFVBMKOET-HNNXBMFYSA-N 1 0 405.503 -0.795 20 0 HBADRO CN(C)c1ncc(CN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000552899662 1069873323 /nfs/dbraw/zinc/87/33/23/1069873323.db2.gz SRTVOSFVBMKOET-OAHLLOKOSA-N 1 0 405.503 -0.795 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000552901422 1069875731 /nfs/dbraw/zinc/87/57/31/1069875731.db2.gz MACBWCACELLVQN-INIZCTEOSA-N 1 0 409.531 -0.987 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000552901423 1069875351 /nfs/dbraw/zinc/87/53/51/1069875351.db2.gz MACBWCACELLVQN-MRXNPFEDSA-N 1 0 409.531 -0.987 20 0 HBADRO CN(Cc1nccn1C(F)F)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901558 1069875031 /nfs/dbraw/zinc/87/50/31/1069875031.db2.gz OXWRRNXKIAUPGC-GFCCVEGCSA-N 1 0 400.430 -0.060 20 0 HBADRO CN(Cc1nccn1C(F)F)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901559 1069874500 /nfs/dbraw/zinc/87/45/00/1069874500.db2.gz OXWRRNXKIAUPGC-LBPRGKRZSA-N 1 0 400.430 -0.060 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000552901584 1069874932 /nfs/dbraw/zinc/87/49/32/1069874932.db2.gz PBDQQMBUCOLCMW-DLBZAZTESA-N 1 0 411.547 -0.837 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000552901585 1069874408 /nfs/dbraw/zinc/87/44/08/1069874408.db2.gz PBDQQMBUCOLCMW-IAGOWNOFSA-N 1 0 411.547 -0.837 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000552901586 1069874250 /nfs/dbraw/zinc/87/42/50/1069874250.db2.gz PBDQQMBUCOLCMW-IRXDYDNUSA-N 1 0 411.547 -0.837 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000552901587 1069874816 /nfs/dbraw/zinc/87/48/16/1069874816.db2.gz PBDQQMBUCOLCMW-SJORKVTESA-N 1 0 411.547 -0.837 20 0 HBADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552901997 1069875311 /nfs/dbraw/zinc/87/53/11/1069875311.db2.gz YGAOMTUXUQXRHL-INIZCTEOSA-N 1 0 409.531 -0.593 20 0 HBADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552901998 1069875901 /nfs/dbraw/zinc/87/59/01/1069875901.db2.gz YGAOMTUXUQXRHL-MRXNPFEDSA-N 1 0 409.531 -0.593 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000552902956 1069875592 /nfs/dbraw/zinc/87/55/92/1069875592.db2.gz IJIOAOPCBYQDGE-INIZCTEOSA-N 1 0 417.514 -0.781 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000552902958 1069875430 /nfs/dbraw/zinc/87/54/30/1069875430.db2.gz IJIOAOPCBYQDGE-MRXNPFEDSA-N 1 0 417.514 -0.781 20 0 HBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[C@@H](C)O2 ZINC000552903669 1069875780 /nfs/dbraw/zinc/87/57/80/1069875780.db2.gz YAINVHWOVGOBNQ-DICRZQGBSA-N 1 0 410.515 -0.515 20 0 HBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[C@@H](C)O2 ZINC000552903670 1069875818 /nfs/dbraw/zinc/87/58/18/1069875818.db2.gz YAINVHWOVGOBNQ-IHSNIMORSA-N 1 0 410.515 -0.515 20 0 HBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[C@@H](C)O2 ZINC000552903671 1069875256 /nfs/dbraw/zinc/87/52/56/1069875256.db2.gz YAINVHWOVGOBNQ-NARAOEGZSA-N 1 0 410.515 -0.515 20 0 HBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[C@@H](C)O2 ZINC000552903672 1069875557 /nfs/dbraw/zinc/87/55/57/1069875557.db2.gz YAINVHWOVGOBNQ-OLPIVMHESA-N 1 0 410.515 -0.515 20 0 HBADRO CC(C)[NH+]1CCC(N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000552906224 1069876640 /nfs/dbraw/zinc/87/66/40/1069876640.db2.gz RXPLSULIGJFBKT-NVQRDWNXSA-N 1 0 406.487 -0.253 20 0 HBADRO C[C@H](N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1)C(F)(F)F ZINC000552910437 1069872464 /nfs/dbraw/zinc/87/24/64/1069872464.db2.gz NXMVFEWCQJYMAW-KBPBESRZSA-N 1 0 421.464 -0.215 20 0 HBADRO C[C@@H](N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1)C(F)(F)F ZINC000552910438 1069871802 /nfs/dbraw/zinc/87/18/02/1069871802.db2.gz NXMVFEWCQJYMAW-KGLIPLIRSA-N 1 0 421.464 -0.215 20 0 HBADRO C[C@H](N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1)C(F)(F)F ZINC000552910439 1069872252 /nfs/dbraw/zinc/87/22/52/1069872252.db2.gz NXMVFEWCQJYMAW-UONOGXRCSA-N 1 0 421.464 -0.215 20 0 HBADRO C[C@@H](N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1)C(F)(F)F ZINC000552910440 1069872514 /nfs/dbraw/zinc/87/25/14/1069872514.db2.gz NXMVFEWCQJYMAW-ZIAGYGMSSA-N 1 0 421.464 -0.215 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000552910469 1069871417 /nfs/dbraw/zinc/87/14/17/1069871417.db2.gz OUBSXGKIOHMQQR-MSOLQXFVSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000552910470 1069871853 /nfs/dbraw/zinc/87/18/53/1069871853.db2.gz OUBSXGKIOHMQQR-QZTJIDSGSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000552910471 1069872146 /nfs/dbraw/zinc/87/21/46/1069872146.db2.gz OUBSXGKIOHMQQR-ROUUACIJSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000552910472 1069872362 /nfs/dbraw/zinc/87/23/62/1069872362.db2.gz OUBSXGKIOHMQQR-ZWKOTPCHSA-N 1 0 423.558 -0.597 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000552910785 1069871068 /nfs/dbraw/zinc/87/10/68/1069871068.db2.gz YGBUTLZMWVUEFR-AWEZNQCLSA-N 1 0 422.555 -0.068 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000552910786 1069871002 /nfs/dbraw/zinc/87/10/02/1069871002.db2.gz YGBUTLZMWVUEFR-CQSZACIVSA-N 1 0 422.555 -0.068 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1cccc(F)c1 ZINC000552925789 1069876923 /nfs/dbraw/zinc/87/69/23/1069876923.db2.gz JOMHFNZRNOBDGC-INIZCTEOSA-N 1 0 402.430 -0.119 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1cccc(F)c1 ZINC000552925790 1069877743 /nfs/dbraw/zinc/87/77/43/1069877743.db2.gz JOMHFNZRNOBDGC-MRXNPFEDSA-N 1 0 402.430 -0.119 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000552926763 1069877623 /nfs/dbraw/zinc/87/76/23/1069877623.db2.gz XIDXNBYSXXPFLU-UHFFFAOYSA-N 1 0 412.531 -0.301 20 0 HBADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000552929106 1069879694 /nfs/dbraw/zinc/87/96/94/1069879694.db2.gz YBHZTLBFQHZRCV-UHFFFAOYSA-N 1 0 404.496 -0.026 20 0 HBADRO CCN1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000552930616 1069879480 /nfs/dbraw/zinc/87/94/80/1069879480.db2.gz JLPAWNUMWBWXIN-UHFFFAOYSA-N 1 0 418.546 -0.460 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000552931891 1069879868 /nfs/dbraw/zinc/87/98/68/1069879868.db2.gz BSLXWKTVEWKZBS-UHFFFAOYSA-N 1 0 411.547 -0.774 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552934025 1069883875 /nfs/dbraw/zinc/88/38/75/1069883875.db2.gz MNEOXWGXBJGOBM-KRWDZBQOSA-N 1 0 416.526 -0.211 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552934026 1069883669 /nfs/dbraw/zinc/88/36/69/1069883669.db2.gz MNEOXWGXBJGOBM-QGZVFWFLSA-N 1 0 416.526 -0.211 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552935133 1069884244 /nfs/dbraw/zinc/88/42/44/1069884244.db2.gz CNYBWBRBOFNAMV-UHFFFAOYSA-N 1 0 416.526 -0.209 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000552937420 1069885073 /nfs/dbraw/zinc/88/50/73/1069885073.db2.gz FBOZBQKRCKQAKZ-CHWSQXEVSA-N 1 0 408.421 -0.117 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000552937421 1069885501 /nfs/dbraw/zinc/88/55/01/1069885501.db2.gz FBOZBQKRCKQAKZ-OLZOCXBDSA-N 1 0 408.421 -0.117 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000552937422 1069885314 /nfs/dbraw/zinc/88/53/14/1069885314.db2.gz FBOZBQKRCKQAKZ-QWHCGFSZSA-N 1 0 408.421 -0.117 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000552937423 1069884845 /nfs/dbraw/zinc/88/48/45/1069884845.db2.gz FBOZBQKRCKQAKZ-STQMWFEESA-N 1 0 408.421 -0.117 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937610 1069885438 /nfs/dbraw/zinc/88/54/38/1069885438.db2.gz ILESQBJSHVAZJR-DLBZAZTESA-N 1 0 411.547 -0.728 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937613 1069885255 /nfs/dbraw/zinc/88/52/55/1069885255.db2.gz ILESQBJSHVAZJR-IAGOWNOFSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937615 1069884923 /nfs/dbraw/zinc/88/49/23/1069884923.db2.gz ILESQBJSHVAZJR-IRXDYDNUSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000552937617 1069885750 /nfs/dbraw/zinc/88/57/50/1069885750.db2.gz ILESQBJSHVAZJR-SJORKVTESA-N 1 0 411.547 -0.728 20 0 HBADRO C[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000552937880 1069884108 /nfs/dbraw/zinc/88/41/08/1069884108.db2.gz ROHOUVOJMUUAFX-DAEWCUBLSA-N 1 0 406.487 -0.030 20 0 HBADRO C[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000552937881 1069884278 /nfs/dbraw/zinc/88/42/78/1069884278.db2.gz ROHOUVOJMUUAFX-MZVSAMGMSA-N 1 0 406.487 -0.030 20 0 HBADRO C[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N@@H+]1CCC[C@H](C)C1 ZINC000552937882 1069885207 /nfs/dbraw/zinc/88/52/07/1069885207.db2.gz ROHOUVOJMUUAFX-OAVPVUAOSA-N 1 0 406.487 -0.030 20 0 HBADRO C[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N@@H+]1CCC[C@H](C)C1 ZINC000552937883 1069884983 /nfs/dbraw/zinc/88/49/83/1069884983.db2.gz ROHOUVOJMUUAFX-ZVWXDJDZSA-N 1 0 406.487 -0.030 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000552939324 1069881398 /nfs/dbraw/zinc/88/13/98/1069881398.db2.gz GRTWSMYZWXMQQU-BBWFWOEESA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000552939325 1069880877 /nfs/dbraw/zinc/88/08/77/1069880877.db2.gz GRTWSMYZWXMQQU-BRWVUGGUSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000552939326 1069881094 /nfs/dbraw/zinc/88/10/94/1069881094.db2.gz GRTWSMYZWXMQQU-GVDBMIGSSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000552939327 1069881665 /nfs/dbraw/zinc/88/16/65/1069881665.db2.gz GRTWSMYZWXMQQU-ZACQAIPSSA-N 1 0 412.531 -0.397 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000552939386 1069881738 /nfs/dbraw/zinc/88/17/38/1069881738.db2.gz JBFZWIWGQMKUPR-INIZCTEOSA-N 1 0 418.498 -0.944 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000552939387 1069881157 /nfs/dbraw/zinc/88/11/57/1069881157.db2.gz JBFZWIWGQMKUPR-MRXNPFEDSA-N 1 0 418.498 -0.944 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000552940899 1069881447 /nfs/dbraw/zinc/88/14/47/1069881447.db2.gz NFYCBBPORUDAMW-HNNXBMFYSA-N 1 0 418.498 -0.944 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000552940900 1069881261 /nfs/dbraw/zinc/88/12/61/1069881261.db2.gz NFYCBBPORUDAMW-OAHLLOKOSA-N 1 0 418.498 -0.944 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000552940929 1069881207 /nfs/dbraw/zinc/88/12/07/1069881207.db2.gz OGHVKNGDEKULDW-CVEARBPZSA-N 1 0 416.544 -0.760 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000552940930 1069882556 /nfs/dbraw/zinc/88/25/56/1069882556.db2.gz OGHVKNGDEKULDW-HOTGVXAUSA-N 1 0 416.544 -0.760 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000552940931 1069882250 /nfs/dbraw/zinc/88/22/50/1069882250.db2.gz OGHVKNGDEKULDW-HZPDHXFCSA-N 1 0 416.544 -0.760 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000552940932 1069882178 /nfs/dbraw/zinc/88/21/78/1069882178.db2.gz OGHVKNGDEKULDW-JKSUJKDBSA-N 1 0 416.544 -0.760 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000552945302 1069882530 /nfs/dbraw/zinc/88/25/30/1069882530.db2.gz MXQKJOXSNFXUGX-CYBMUJFWSA-N 1 0 408.421 -0.117 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000552945303 1069882071 /nfs/dbraw/zinc/88/20/71/1069882071.db2.gz MXQKJOXSNFXUGX-ZDUSSCGKSA-N 1 0 408.421 -0.117 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000552946635 1069882293 /nfs/dbraw/zinc/88/22/93/1069882293.db2.gz WFUYSMOWUUGXFP-UHFFFAOYSA-N 1 0 420.514 -0.954 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000552949894 1069883274 /nfs/dbraw/zinc/88/32/74/1069883274.db2.gz VHYOEHSZJJBOOT-DLBZAZTESA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000552949895 1069882860 /nfs/dbraw/zinc/88/28/60/1069882860.db2.gz VHYOEHSZJJBOOT-IAGOWNOFSA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000552949896 1069883081 /nfs/dbraw/zinc/88/30/81/1069883081.db2.gz VHYOEHSZJJBOOT-IRXDYDNUSA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000552949897 1069883392 /nfs/dbraw/zinc/88/33/92/1069883392.db2.gz VHYOEHSZJJBOOT-SJORKVTESA-N 1 0 403.531 -0.356 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000552960095 1069888189 /nfs/dbraw/zinc/88/81/89/1069888189.db2.gz DPQCMSWYWPHMDK-UHFFFAOYSA-N 1 0 401.467 -0.317 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC(C[NH+]3CCCC3)CC2)[C@H](O)[C@@H]1O ZINC000552960273 1069887545 /nfs/dbraw/zinc/88/75/45/1069887545.db2.gz LBRJCGLBYOHLKU-WVSUBDOOSA-N 1 0 418.498 -0.250 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000552960666 1069887450 /nfs/dbraw/zinc/88/74/50/1069887450.db2.gz YVBOHZSVUXDYCD-UHFFFAOYSA-N 1 0 420.539 -0.193 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000552967415 1069886800 /nfs/dbraw/zinc/88/68/00/1069886800.db2.gz QHDKJADLJKRDDV-CABCVRRESA-N 1 0 405.503 -0.924 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000552967416 1069886431 /nfs/dbraw/zinc/88/64/31/1069886431.db2.gz QHDKJADLJKRDDV-GJZGRUSLSA-N 1 0 405.503 -0.924 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000552967417 1069886080 /nfs/dbraw/zinc/88/60/80/1069886080.db2.gz QHDKJADLJKRDDV-HUUCEWRRSA-N 1 0 405.503 -0.924 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000552967418 1069886744 /nfs/dbraw/zinc/88/67/44/1069886744.db2.gz QHDKJADLJKRDDV-LSDHHAIUSA-N 1 0 405.503 -0.924 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 ZINC000552967968 1069886225 /nfs/dbraw/zinc/88/62/25/1069886225.db2.gz MHEPPQFTPANGRX-UHFFFAOYSA-N 1 0 419.526 -0.334 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552969177 1069886151 /nfs/dbraw/zinc/88/61/51/1069886151.db2.gz FEZWXMKXGKUGPR-AWEZNQCLSA-N 1 0 421.458 -0.936 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000552969178 1069886686 /nfs/dbraw/zinc/88/66/86/1069886686.db2.gz FEZWXMKXGKUGPR-CQSZACIVSA-N 1 0 421.458 -0.936 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000552969940 1069886562 /nfs/dbraw/zinc/88/65/62/1069886562.db2.gz ZKSKTYPNRKKJRO-UHFFFAOYSA-N 1 0 424.473 -0.430 20 0 HBADRO CC(C)Nc1nc(NCCN2CCN(c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000552972971 1069889760 /nfs/dbraw/zinc/88/97/60/1069889760.db2.gz ASWAGXXZQTVVAG-UHFFFAOYSA-N 1 0 400.531 -0.404 20 0 HBADRO CCC[NH+]1CCC(N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000552995909 1069898168 /nfs/dbraw/zinc/89/81/68/1069898168.db2.gz YOWFVSVYDLDGDF-NVQRDWNXSA-N 1 0 406.487 -0.252 20 0 HBADRO C[N@H+](CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cc1ccccc1 ZINC000553001880 1069892709 /nfs/dbraw/zinc/89/27/09/1069892709.db2.gz WZGUNRJFXBWBQZ-WVSUBDOOSA-N 1 0 414.466 -0.018 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000553023233 1069898682 /nfs/dbraw/zinc/89/86/82/1069898682.db2.gz OUHBOVKNSSQHRZ-INIZCTEOSA-N 1 0 402.499 -0.180 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000553023234 1069898798 /nfs/dbraw/zinc/89/87/98/1069898798.db2.gz OUHBOVKNSSQHRZ-MRXNPFEDSA-N 1 0 402.499 -0.180 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000553025180 1069898938 /nfs/dbraw/zinc/89/89/38/1069898938.db2.gz UHCOHAPCRSDYOI-INIZCTEOSA-N 1 0 420.514 0.056 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000553025181 1069898716 /nfs/dbraw/zinc/89/87/16/1069898716.db2.gz UHCOHAPCRSDYOI-MRXNPFEDSA-N 1 0 420.514 0.056 20 0 HBADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000553028139 1069899528 /nfs/dbraw/zinc/89/95/28/1069899528.db2.gz BOHHZDSSHPABOD-GJZGRUSLSA-N 1 0 403.483 -0.250 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553035623 1069901522 /nfs/dbraw/zinc/90/15/22/1069901522.db2.gz MYOZDPGSPWAWNG-GDBMZVCRSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553035625 1069901714 /nfs/dbraw/zinc/90/17/14/1069901714.db2.gz MYOZDPGSPWAWNG-GOEBONIOSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553035626 1069901663 /nfs/dbraw/zinc/90/16/63/1069901663.db2.gz MYOZDPGSPWAWNG-HOCLYGCPSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000553035628 1069901695 /nfs/dbraw/zinc/90/16/95/1069901695.db2.gz MYOZDPGSPWAWNG-ZBFHGGJFSA-N 1 0 416.544 -0.762 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000553038358 1069902493 /nfs/dbraw/zinc/90/24/93/1069902493.db2.gz ZLMSKKJKVCAFJG-GDBMZVCRSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000553038359 1069902259 /nfs/dbraw/zinc/90/22/59/1069902259.db2.gz ZLMSKKJKVCAFJG-GOEBONIOSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000553038360 1069902470 /nfs/dbraw/zinc/90/24/70/1069902470.db2.gz ZLMSKKJKVCAFJG-HOCLYGCPSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000553038361 1069902207 /nfs/dbraw/zinc/90/22/07/1069902207.db2.gz ZLMSKKJKVCAFJG-ZBFHGGJFSA-N 1 0 418.560 -0.516 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000553039800 1069902602 /nfs/dbraw/zinc/90/26/02/1069902602.db2.gz AENZVTAVCYRDPY-HNNXBMFYSA-N 1 0 401.519 -0.169 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000553039801 1069902307 /nfs/dbraw/zinc/90/23/07/1069902307.db2.gz AENZVTAVCYRDPY-OAHLLOKOSA-N 1 0 401.519 -0.169 20 0 HBADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000553046273 1069903063 /nfs/dbraw/zinc/90/30/63/1069903063.db2.gz CGTBUZDQSYSUCL-UHFFFAOYSA-N 1 0 419.530 -0.570 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CCCO1 ZINC000553046408 1069903094 /nfs/dbraw/zinc/90/30/94/1069903094.db2.gz MOCCMQCDMHSDPZ-KRWDZBQOSA-N 1 0 419.526 -0.184 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CCCO1 ZINC000553046409 1069903247 /nfs/dbraw/zinc/90/32/47/1069903247.db2.gz MOCCMQCDMHSDPZ-QGZVFWFLSA-N 1 0 419.526 -0.184 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000553046816 1069903224 /nfs/dbraw/zinc/90/32/24/1069903224.db2.gz DPRNHUJSGKFRNH-INIZCTEOSA-N 1 0 419.530 -0.522 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000553046820 1069903340 /nfs/dbraw/zinc/90/33/40/1069903340.db2.gz DPRNHUJSGKFRNH-MRXNPFEDSA-N 1 0 419.530 -0.522 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553047138 1069904680 /nfs/dbraw/zinc/90/46/80/1069904680.db2.gz IHWZBRIDSCIYJH-IBGZPJMESA-N 1 0 401.511 -0.343 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553047141 1069904755 /nfs/dbraw/zinc/90/47/55/1069904755.db2.gz IHWZBRIDSCIYJH-LJQANCHMSA-N 1 0 401.511 -0.343 20 0 HBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000553047463 1069903992 /nfs/dbraw/zinc/90/39/92/1069903992.db2.gz OXEJQPJARBRKDM-UHFFFAOYSA-N 1 0 419.530 -0.568 20 0 HBADRO C[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000553052750 1069905650 /nfs/dbraw/zinc/90/56/50/1069905650.db2.gz ZILHMFNNAHIDHH-CYBMUJFWSA-N 1 0 419.573 -0.368 20 0 HBADRO C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000553052751 1069905298 /nfs/dbraw/zinc/90/52/98/1069905298.db2.gz ZILHMFNNAHIDHH-ZDUSSCGKSA-N 1 0 419.573 -0.368 20 0 HBADRO CC[NH+](CC)C[C@@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553065343 1069907358 /nfs/dbraw/zinc/90/73/58/1069907358.db2.gz INRCZDAZGYBRIV-BPAMBQHCSA-N 1 0 406.487 -0.394 20 0 HBADRO CC[NH+](CC)C[C@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553065344 1069907332 /nfs/dbraw/zinc/90/73/32/1069907332.db2.gz INRCZDAZGYBRIV-BYMDKACISA-N 1 0 406.487 -0.394 20 0 HBADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000553071249 1069908102 /nfs/dbraw/zinc/90/81/02/1069908102.db2.gz JZZTWAPZZORVIG-CYBMUJFWSA-N 1 0 413.500 -0.264 20 0 HBADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000553071250 1069908079 /nfs/dbraw/zinc/90/80/79/1069908079.db2.gz JZZTWAPZZORVIG-ZDUSSCGKSA-N 1 0 413.500 -0.264 20 0 HBADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000553072353 1069909373 /nfs/dbraw/zinc/90/93/73/1069909373.db2.gz LMDAZULQNQSOLS-IBGZPJMESA-N 1 0 416.522 -0.198 20 0 HBADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000553072356 1069908984 /nfs/dbraw/zinc/90/89/84/1069908984.db2.gz LMDAZULQNQSOLS-LJQANCHMSA-N 1 0 416.522 -0.198 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000553073204 1069909129 /nfs/dbraw/zinc/90/91/29/1069909129.db2.gz DMQPWVVRSNRFBQ-GOSISDBHSA-N 1 0 418.494 -0.767 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000553073205 1069909400 /nfs/dbraw/zinc/90/94/00/1069909400.db2.gz DMQPWVVRSNRFBQ-SFHVURJKSA-N 1 0 418.494 -0.767 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1=O ZINC000553074527 1069909949 /nfs/dbraw/zinc/90/99/49/1069909949.db2.gz MDSSGCDCUOYCMO-UHFFFAOYSA-N 1 0 402.495 -0.050 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O ZINC000553075290 1069909829 /nfs/dbraw/zinc/90/98/29/1069909829.db2.gz FDRSYFQRLGNIRX-CYBMUJFWSA-N 1 0 419.573 -0.368 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O ZINC000553075291 1069910057 /nfs/dbraw/zinc/91/00/57/1069910057.db2.gz FDRSYFQRLGNIRX-ZDUSSCGKSA-N 1 0 419.573 -0.368 20 0 HBADRO CN1C[C@H](Nc2nc(NC(C)(C)C)nc(N[C@@H]3CCC(=O)N(C)C3)[nH+]2)CCC1=O ZINC000553079269 1069910824 /nfs/dbraw/zinc/91/08/24/1069910824.db2.gz HOCXZNWVWOHDAT-CHWSQXEVSA-N 1 0 404.519 -0.009 20 0 HBADRO CN1C[C@@H](Nc2nc(NC(C)(C)C)nc(N[C@H]3CCC(=O)N(C)C3)[nH+]2)CCC1=O ZINC000553079270 1069910785 /nfs/dbraw/zinc/91/07/85/1069910785.db2.gz HOCXZNWVWOHDAT-STQMWFEESA-N 1 0 404.519 -0.009 20 0 HBADRO CC[NH+]1CCC(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000553081907 1069910683 /nfs/dbraw/zinc/91/06/83/1069910683.db2.gz HPSLEVBSPLLFLD-NVQRDWNXSA-N 1 0 406.487 -0.028 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000553093703 1069909355 /nfs/dbraw/zinc/90/93/55/1069909355.db2.gz MCXPNXFIFFDOFO-HNNXBMFYSA-N 1 0 411.528 -0.239 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000553093704 1069909226 /nfs/dbraw/zinc/90/92/26/1069909226.db2.gz MCXPNXFIFFDOFO-OAHLLOKOSA-N 1 0 411.528 -0.239 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000553095870 1069912161 /nfs/dbraw/zinc/91/21/61/1069912161.db2.gz OKPRKWHJWIIHNV-DLBZAZTESA-N 1 0 411.547 -0.776 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000553095871 1069912100 /nfs/dbraw/zinc/91/21/00/1069912100.db2.gz OKPRKWHJWIIHNV-IAGOWNOFSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000553095872 1069912117 /nfs/dbraw/zinc/91/21/17/1069912117.db2.gz OKPRKWHJWIIHNV-IRXDYDNUSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000553095873 1069912323 /nfs/dbraw/zinc/91/23/23/1069912323.db2.gz OKPRKWHJWIIHNV-SJORKVTESA-N 1 0 411.547 -0.776 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000553095980 1069646872 /nfs/dbraw/zinc/64/68/72/1069646872.db2.gz UFZJZWJIWCOBJH-AWEZNQCLSA-N 1 0 408.503 -0.088 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000553095981 1069641654 /nfs/dbraw/zinc/64/16/54/1069641654.db2.gz UFZJZWJIWCOBJH-CQSZACIVSA-N 1 0 408.503 -0.088 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000553096081 1069912107 /nfs/dbraw/zinc/91/21/07/1069912107.db2.gz XFJJMALNAJDAJY-CVEARBPZSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000553096082 1069912080 /nfs/dbraw/zinc/91/20/80/1069912080.db2.gz XFJJMALNAJDAJY-HOTGVXAUSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000553096083 1069912225 /nfs/dbraw/zinc/91/22/25/1069912225.db2.gz XFJJMALNAJDAJY-HZPDHXFCSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000553096084 1069912139 /nfs/dbraw/zinc/91/21/39/1069912139.db2.gz XFJJMALNAJDAJY-JKSUJKDBSA-N 1 0 420.576 -0.268 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000553096851 1069912185 /nfs/dbraw/zinc/91/21/85/1069912185.db2.gz GVUGZNNXBCCAQG-INIZCTEOSA-N 1 0 416.544 -0.760 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000553096852 1069912338 /nfs/dbraw/zinc/91/23/38/1069912338.db2.gz GVUGZNNXBCCAQG-MRXNPFEDSA-N 1 0 416.544 -0.760 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553107304 1069912957 /nfs/dbraw/zinc/91/29/57/1069912957.db2.gz PEHYQTBBCYTGBM-CEXWTWQISA-N 1 0 409.575 -0.208 20 0 HBADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000553107305 1069913141 /nfs/dbraw/zinc/91/31/41/1069913141.db2.gz PEHYQTBBCYTGBM-GUDVDZBRSA-N 1 0 409.575 -0.208 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553107306 1069913262 /nfs/dbraw/zinc/91/32/62/1069913262.db2.gz PEHYQTBBCYTGBM-OTWHNJEPSA-N 1 0 409.575 -0.208 20 0 HBADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000553107307 1069913000 /nfs/dbraw/zinc/91/30/00/1069913000.db2.gz PEHYQTBBCYTGBM-QRVBRYPASA-N 1 0 409.575 -0.208 20 0 HBADRO Cn1cnc(CCNc2nc(NC(C)(C)C)nc(NCCc3ncn(C)n3)[nH+]2)n1 ZINC000553113027 1069911398 /nfs/dbraw/zinc/91/13/98/1069911398.db2.gz OPRYGHYZQBEXHA-UHFFFAOYSA-N 1 0 400.495 -0.508 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000553116632 1069913848 /nfs/dbraw/zinc/91/38/48/1069913848.db2.gz CEQNLSFNIMBDBE-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)CC2)c1=O ZINC000553119924 1069914221 /nfs/dbraw/zinc/91/42/21/1069914221.db2.gz DBRIRMIXPHKRQZ-UHFFFAOYSA-N 1 0 404.515 -0.335 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000553148049 1069915610 /nfs/dbraw/zinc/91/56/10/1069915610.db2.gz FGDWHJKEOWGDGJ-CBGDNZLLSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000553148050 1069915689 /nfs/dbraw/zinc/91/56/89/1069915689.db2.gz FGDWHJKEOWGDGJ-LLGFUMIMSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000553148051 1069915916 /nfs/dbraw/zinc/91/59/16/1069915916.db2.gz FGDWHJKEOWGDGJ-LZJOCLMNSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000553148052 1069915820 /nfs/dbraw/zinc/91/58/20/1069915820.db2.gz FGDWHJKEOWGDGJ-WWMYMODYSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000553148439 1069916662 /nfs/dbraw/zinc/91/66/62/1069916662.db2.gz QQGHLCZAUPQUBW-HNNXBMFYSA-N 1 0 407.519 -0.839 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000553148440 1069916535 /nfs/dbraw/zinc/91/65/35/1069916535.db2.gz QQGHLCZAUPQUBW-OAHLLOKOSA-N 1 0 407.519 -0.839 20 0 HBADRO C[NH+](C)CCN(Cc1ccco1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553148783 1069916484 /nfs/dbraw/zinc/91/64/84/1069916484.db2.gz CLGJHRZYAOSOOG-NVQRDWNXSA-N 1 0 418.454 -0.401 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(=O)N1CCCC[C@H]1C ZINC000553149237 1069918128 /nfs/dbraw/zinc/91/81/28/1069918128.db2.gz APJSAIBQFHZOCD-IKGGRYGDSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(=O)N1CCCC[C@H]1C ZINC000553149238 1069918293 /nfs/dbraw/zinc/91/82/93/1069918293.db2.gz APJSAIBQFHZOCD-IXDOHACOSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(=O)N1CCCC[C@@H]1C ZINC000553149239 1069917938 /nfs/dbraw/zinc/91/79/38/1069917938.db2.gz APJSAIBQFHZOCD-ULQDDVLXSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(=O)N1CCCC[C@@H]1C ZINC000553149240 1069918157 /nfs/dbraw/zinc/91/81/57/1069918157.db2.gz APJSAIBQFHZOCD-YESZJQIVSA-N 1 0 423.558 -0.049 20 0 HBADRO COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2=O)c1 ZINC000553149276 1069917980 /nfs/dbraw/zinc/91/79/80/1069917980.db2.gz BDGOCCQTQIKWEY-PBHICJAKSA-N 1 0 404.467 -0.294 20 0 HBADRO COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)CC2=O)c1 ZINC000553149277 1069918316 /nfs/dbraw/zinc/91/83/16/1069918316.db2.gz BDGOCCQTQIKWEY-RHSMWYFYSA-N 1 0 404.467 -0.294 20 0 HBADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)CC2=O)c1 ZINC000553149278 1069918108 /nfs/dbraw/zinc/91/81/08/1069918108.db2.gz BDGOCCQTQIKWEY-WMLDXEAASA-N 1 0 404.467 -0.294 20 0 HBADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2=O)c1 ZINC000553149279 1069918399 /nfs/dbraw/zinc/91/83/99/1069918399.db2.gz BDGOCCQTQIKWEY-YOEHRIQHSA-N 1 0 404.467 -0.294 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000553149445 1069917995 /nfs/dbraw/zinc/91/79/95/1069917995.db2.gz GMSGHKJVOPFFDO-HRAATJIYSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000553149446 1069918086 /nfs/dbraw/zinc/91/80/86/1069918086.db2.gz GMSGHKJVOPFFDO-IERDGZPVSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000553149447 1069918380 /nfs/dbraw/zinc/91/83/80/1069918380.db2.gz GMSGHKJVOPFFDO-IIBYNOLFSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000553149448 1069917962 /nfs/dbraw/zinc/91/79/62/1069917962.db2.gz GMSGHKJVOPFFDO-KKSFZXQISA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000553149808 1069917320 /nfs/dbraw/zinc/91/73/20/1069917320.db2.gz KSISFMSBOHAJNG-GOSISDBHSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000553149809 1069917105 /nfs/dbraw/zinc/91/71/05/1069917105.db2.gz KSISFMSBOHAJNG-SFHVURJKSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000553150437 1069919032 /nfs/dbraw/zinc/91/90/32/1069919032.db2.gz UWPMBRVUJHDWDX-INIZCTEOSA-N 1 0 403.483 -0.539 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000553150438 1069919435 /nfs/dbraw/zinc/91/94/35/1069919435.db2.gz UWPMBRVUJHDWDX-MRXNPFEDSA-N 1 0 403.483 -0.539 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000553150577 1069919472 /nfs/dbraw/zinc/91/94/72/1069919472.db2.gz XNNIYMJBQVPEJU-KRWDZBQOSA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000553150578 1069919165 /nfs/dbraw/zinc/91/91/65/1069919165.db2.gz XNNIYMJBQVPEJU-QGZVFWFLSA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000553150587 1069919386 /nfs/dbraw/zinc/91/93/86/1069919386.db2.gz XVZRRLYLDXPTNT-HNNXBMFYSA-N 1 0 405.503 -0.782 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000553150588 1069918918 /nfs/dbraw/zinc/91/89/18/1069918918.db2.gz XVZRRLYLDXPTNT-OAHLLOKOSA-N 1 0 405.503 -0.782 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000553151317 1069920081 /nfs/dbraw/zinc/92/00/81/1069920081.db2.gz DZSQZLCOQLRFGK-JYJNAYRXSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000553151318 1069920174 /nfs/dbraw/zinc/92/01/74/1069920174.db2.gz DZSQZLCOQLRFGK-OAGGEKHMSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000553151319 1069919993 /nfs/dbraw/zinc/91/99/93/1069919993.db2.gz DZSQZLCOQLRFGK-PMPSAXMXSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000553151320 1069920156 /nfs/dbraw/zinc/92/01/56/1069920156.db2.gz DZSQZLCOQLRFGK-XHSDSOJGSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000553151338 1069919934 /nfs/dbraw/zinc/91/99/34/1069919934.db2.gz FJUYCNQMELZJEL-DLBZAZTESA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000553151339 1069920187 /nfs/dbraw/zinc/92/01/87/1069920187.db2.gz FJUYCNQMELZJEL-IAGOWNOFSA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000553151340 1069920234 /nfs/dbraw/zinc/92/02/34/1069920234.db2.gz FJUYCNQMELZJEL-IRXDYDNUSA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000553151341 1069920096 /nfs/dbraw/zinc/92/00/96/1069920096.db2.gz FJUYCNQMELZJEL-SJORKVTESA-N 1 0 421.542 -0.341 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000553151516 1069920060 /nfs/dbraw/zinc/92/00/60/1069920060.db2.gz JOQQVRDDYDLKRF-KRWDZBQOSA-N 1 0 419.530 -0.424 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000553151517 1069920249 /nfs/dbraw/zinc/92/02/49/1069920249.db2.gz JOQQVRDDYDLKRF-QGZVFWFLSA-N 1 0 419.530 -0.424 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000553151535 1069920218 /nfs/dbraw/zinc/92/02/18/1069920218.db2.gz JZZPPRBUJCCPMM-INIZCTEOSA-N 1 0 410.515 -0.547 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000553151536 1069920266 /nfs/dbraw/zinc/92/02/66/1069920266.db2.gz JZZPPRBUJCCPMM-MRXNPFEDSA-N 1 0 410.515 -0.547 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000553151778 1069920041 /nfs/dbraw/zinc/92/00/41/1069920041.db2.gz PJONGBKOULPEDA-KRWDZBQOSA-N 1 0 415.494 -0.791 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000553151779 1069920132 /nfs/dbraw/zinc/92/01/32/1069920132.db2.gz PJONGBKOULPEDA-QGZVFWFLSA-N 1 0 415.494 -0.791 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000553151971 1069919456 /nfs/dbraw/zinc/91/94/56/1069919456.db2.gz WGQUFVFIMLIJSQ-CVEARBPZSA-N 1 0 404.515 -0.205 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000553151972 1069919366 /nfs/dbraw/zinc/91/93/66/1069919366.db2.gz WGQUFVFIMLIJSQ-HOTGVXAUSA-N 1 0 404.515 -0.205 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000553151973 1069918993 /nfs/dbraw/zinc/91/89/93/1069918993.db2.gz WGQUFVFIMLIJSQ-HZPDHXFCSA-N 1 0 404.515 -0.205 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000553151974 1069919122 /nfs/dbraw/zinc/91/91/22/1069919122.db2.gz WGQUFVFIMLIJSQ-JKSUJKDBSA-N 1 0 404.515 -0.205 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000553152006 1069919326 /nfs/dbraw/zinc/91/93/26/1069919326.db2.gz XABYPNPIOSPIPI-CABCVRRESA-N 1 0 400.545 -0.628 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000553152007 1069919074 /nfs/dbraw/zinc/91/90/74/1069919074.db2.gz XABYPNPIOSPIPI-GJZGRUSLSA-N 1 0 400.545 -0.628 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000553152008 1069919505 /nfs/dbraw/zinc/91/95/05/1069919505.db2.gz XABYPNPIOSPIPI-HUUCEWRRSA-N 1 0 400.545 -0.628 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000553152009 1069920020 /nfs/dbraw/zinc/92/00/20/1069920020.db2.gz XABYPNPIOSPIPI-LSDHHAIUSA-N 1 0 400.545 -0.628 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000553152053 1069920201 /nfs/dbraw/zinc/92/02/01/1069920201.db2.gz YPGRIPWAVIRNJE-INIZCTEOSA-N 1 0 418.498 -0.285 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000553152054 1069920113 /nfs/dbraw/zinc/92/01/13/1069920113.db2.gz YPGRIPWAVIRNJE-MRXNPFEDSA-N 1 0 418.498 -0.285 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000553157317 1069922381 /nfs/dbraw/zinc/92/23/81/1069922381.db2.gz BQNOZJMLOVETFP-UHFFFAOYSA-N 1 0 403.527 -0.071 20 0 HBADRO NC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000553162658 1069923496 /nfs/dbraw/zinc/92/34/96/1069923496.db2.gz IPGLAFKYVSNWDH-UHFFFAOYSA-N 1 0 415.494 -0.789 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553166638 1069921165 /nfs/dbraw/zinc/92/11/65/1069921165.db2.gz VJRLZICECAJUSN-KRWDZBQOSA-N 1 0 417.510 -0.405 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553166639 1069920960 /nfs/dbraw/zinc/92/09/60/1069920960.db2.gz VJRLZICECAJUSN-QGZVFWFLSA-N 1 0 417.510 -0.405 20 0 HBADRO CC(=O)NCCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553167823 1069921146 /nfs/dbraw/zinc/92/11/46/1069921146.db2.gz SEWIPLAGILXBGI-GOSISDBHSA-N 1 0 417.510 -0.358 20 0 HBADRO CC(=O)NCCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553167824 1069921201 /nfs/dbraw/zinc/92/12/01/1069921201.db2.gz SEWIPLAGILXBGI-SFHVURJKSA-N 1 0 417.510 -0.358 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553168097 1069921238 /nfs/dbraw/zinc/92/12/38/1069921238.db2.gz XUETYHHHWBPTDH-PBHICJAKSA-N 1 0 415.494 -0.653 20 0 HBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553168098 1069920798 /nfs/dbraw/zinc/92/07/98/1069920798.db2.gz XUETYHHHWBPTDH-RHSMWYFYSA-N 1 0 415.494 -0.653 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553168099 1069921226 /nfs/dbraw/zinc/92/12/26/1069921226.db2.gz XUETYHHHWBPTDH-WMLDXEAASA-N 1 0 415.494 -0.653 20 0 HBADRO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553168100 1069921110 /nfs/dbraw/zinc/92/11/10/1069921110.db2.gz XUETYHHHWBPTDH-YOEHRIQHSA-N 1 0 415.494 -0.653 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 ZINC000553168112 1069920861 /nfs/dbraw/zinc/92/08/61/1069920861.db2.gz YVDSJIXBPQLMBE-UHFFFAOYSA-N 1 0 416.526 -0.046 20 0 HBADRO C[C@H](CNc1nc(NC[C@@H](C)S(C)(=O)=O)[nH+]c(NC(C)(C)C)n1)S(C)(=O)=O ZINC000553168195 1069921597 /nfs/dbraw/zinc/92/15/97/1069921597.db2.gz BDHCDZDCZQOQFD-GHMZBOCLSA-N 1 0 422.577 -0.384 20 0 HBADRO C[C@H](CNc1nc(NC[C@H](C)S(C)(=O)=O)nc(NC(C)(C)C)[nH+]1)S(C)(=O)=O ZINC000553168196 1069921676 /nfs/dbraw/zinc/92/16/76/1069921676.db2.gz BDHCDZDCZQOQFD-PHIMTYICSA-N 1 0 422.577 -0.384 20 0 HBADRO C[C@@H](CNc1nc(NC[C@H](C)S(C)(=O)=O)[nH+]c(NC(C)(C)C)n1)S(C)(=O)=O ZINC000553168197 1069921804 /nfs/dbraw/zinc/92/18/04/1069921804.db2.gz BDHCDZDCZQOQFD-QWRGUYRKSA-N 1 0 422.577 -0.384 20 0 HBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000553168621 1069920911 /nfs/dbraw/zinc/92/09/11/1069920911.db2.gz OVVWSIIBDSDWEK-UHFFFAOYSA-N 1 0 416.526 -0.048 20 0 HBADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000553168683 1069921071 /nfs/dbraw/zinc/92/10/71/1069921071.db2.gz QKJLXDDXRIGYGD-UHFFFAOYSA-N 1 0 406.464 0.000 20 0 HBADRO CC(C)Nc1nc(NCCO)nc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000553171223 1069921722 /nfs/dbraw/zinc/92/17/22/1069921722.db2.gz RVRFUIHPIYLQQH-UHFFFAOYSA-N 1 0 406.579 -0.065 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1 ZINC000553180490 1069925304 /nfs/dbraw/zinc/92/53/04/1069925304.db2.gz XLNQYSYTUJHAFQ-DLBZAZTESA-N 1 0 421.542 -0.531 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1 ZINC000553180491 1069925447 /nfs/dbraw/zinc/92/54/47/1069925447.db2.gz XLNQYSYTUJHAFQ-IAGOWNOFSA-N 1 0 421.542 -0.531 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1 ZINC000553180492 1069925490 /nfs/dbraw/zinc/92/54/90/1069925490.db2.gz XLNQYSYTUJHAFQ-IRXDYDNUSA-N 1 0 421.542 -0.531 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1 ZINC000553180493 1069925369 /nfs/dbraw/zinc/92/53/69/1069925369.db2.gz XLNQYSYTUJHAFQ-SJORKVTESA-N 1 0 421.542 -0.531 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000553186718 1069926104 /nfs/dbraw/zinc/92/61/04/1069926104.db2.gz RMYPHAYZKDPTJS-ARFHVFGLSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000553186719 1069926005 /nfs/dbraw/zinc/92/60/05/1069926005.db2.gz RMYPHAYZKDPTJS-BZUAXINKSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000553186720 1069926096 /nfs/dbraw/zinc/92/60/96/1069926096.db2.gz RMYPHAYZKDPTJS-HRCADAONSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000553186721 1069925982 /nfs/dbraw/zinc/92/59/82/1069925982.db2.gz RMYPHAYZKDPTJS-OWCLPIDISA-N 1 0 400.545 -0.189 20 0 HBADRO Cn1ccnc1CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000553192855 1069923335 /nfs/dbraw/zinc/92/33/35/1069923335.db2.gz SJTSNTPJLQZRTQ-UHFFFAOYSA-N 1 0 406.531 -0.021 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000553193957 1069923993 /nfs/dbraw/zinc/92/39/93/1069923993.db2.gz VLOKCYXXUTXNRY-UHFFFAOYSA-N 1 0 420.510 -0.397 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000553200886 1069928087 /nfs/dbraw/zinc/92/80/87/1069928087.db2.gz TVHMZPNBLIPCLZ-INIZCTEOSA-N 1 0 420.510 -0.051 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000553200887 1069928320 /nfs/dbraw/zinc/92/83/20/1069928320.db2.gz TVHMZPNBLIPCLZ-MRXNPFEDSA-N 1 0 420.510 -0.051 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000553239952 1069929597 /nfs/dbraw/zinc/92/95/97/1069929597.db2.gz MKRFIFXGTIFTEV-UHFFFAOYSA-N 1 0 421.502 -0.594 20 0 HBADRO CC(C)(CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C[NH+]1CCCC1 ZINC000553244252 1069933638 /nfs/dbraw/zinc/93/36/38/1069933638.db2.gz RJLLHFLYCTVIOO-SCFUHWHPSA-N 1 0 406.487 -0.028 20 0 HBADRO CCN(CCC[NH+]1CCCC1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553245716 1069934308 /nfs/dbraw/zinc/93/43/08/1069934308.db2.gz HFTAPEVSVGBMSC-NVQRDWNXSA-N 1 0 406.487 -0.250 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553259839 1069932731 /nfs/dbraw/zinc/93/27/31/1069932731.db2.gz KKNYQSOLQHRINJ-HNNXBMFYSA-N 1 0 416.544 -0.712 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553259840 1069932700 /nfs/dbraw/zinc/93/27/00/1069932700.db2.gz KKNYQSOLQHRINJ-OAHLLOKOSA-N 1 0 416.544 -0.712 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553261226 1069939927 /nfs/dbraw/zinc/93/99/27/1069939927.db2.gz SGNURWWLVFSOFB-UHFFFAOYSA-N 1 0 423.558 -0.584 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)cn1 ZINC000553264398 1069936397 /nfs/dbraw/zinc/93/63/97/1069936397.db2.gz LEUUPNORNKGOIA-UHFFFAOYSA-N 1 0 418.542 -0.175 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)C[C@@H](C)O1 ZINC000553266422 1069936364 /nfs/dbraw/zinc/93/63/64/1069936364.db2.gz DOLAOMBORIFTSF-TVFCKZIOSA-N 1 0 402.561 -0.179 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)C[C@H](C)O1 ZINC000553266423 1069936473 /nfs/dbraw/zinc/93/64/73/1069936473.db2.gz DOLAOMBORIFTSF-USTZCAOPSA-N 1 0 402.561 -0.179 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)C[C@H](C)O1 ZINC000553266424 1069936572 /nfs/dbraw/zinc/93/65/72/1069936572.db2.gz DOLAOMBORIFTSF-XLAORIBOSA-N 1 0 402.561 -0.179 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000553267172 1069936444 /nfs/dbraw/zinc/93/64/44/1069936444.db2.gz JOSTWUJLIGALEF-KRWDZBQOSA-N 1 0 410.515 -0.547 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000553267173 1069936594 /nfs/dbraw/zinc/93/65/94/1069936594.db2.gz JOSTWUJLIGALEF-QGZVFWFLSA-N 1 0 410.515 -0.547 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000553267364 1069936648 /nfs/dbraw/zinc/93/66/48/1069936648.db2.gz QSWBRBKHVPXUJJ-UHFFFAOYSA-N 1 0 409.531 -0.974 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000553267528 1069936339 /nfs/dbraw/zinc/93/63/39/1069936339.db2.gz XVHVLVNTXLPZRJ-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553268208 1069936517 /nfs/dbraw/zinc/93/65/17/1069936517.db2.gz BYHAGYKKERVGQO-DLBZAZTESA-N 1 0 410.515 -0.737 20 0 HBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553268209 1069936316 /nfs/dbraw/zinc/93/63/16/1069936316.db2.gz BYHAGYKKERVGQO-IAGOWNOFSA-N 1 0 410.515 -0.737 20 0 HBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553268210 1069936347 /nfs/dbraw/zinc/93/63/47/1069936347.db2.gz BYHAGYKKERVGQO-IRXDYDNUSA-N 1 0 410.515 -0.737 20 0 HBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553268211 1069936500 /nfs/dbraw/zinc/93/65/00/1069936500.db2.gz BYHAGYKKERVGQO-SJORKVTESA-N 1 0 410.515 -0.737 20 0 HBADRO COC[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553270536 1069937399 /nfs/dbraw/zinc/93/73/99/1069937399.db2.gz NRFUNZAIXAICNV-KRWDZBQOSA-N 1 0 404.515 -0.010 20 0 HBADRO COC[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553270537 1069937190 /nfs/dbraw/zinc/93/71/90/1069937190.db2.gz NRFUNZAIXAICNV-QGZVFWFLSA-N 1 0 404.515 -0.010 20 0 HBADRO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553270896 1069937383 /nfs/dbraw/zinc/93/73/83/1069937383.db2.gz XRDHNFDDGSLLNE-FQEVSTJZSA-N 1 0 417.514 -0.781 20 0 HBADRO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000553270897 1069937293 /nfs/dbraw/zinc/93/72/93/1069937293.db2.gz XRDHNFDDGSLLNE-HXUWFJFHSA-N 1 0 417.514 -0.781 20 0 HBADRO CN(CC1(CO)CC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000553271673 1069937493 /nfs/dbraw/zinc/93/74/93/1069937493.db2.gz CCSURVXXWSRDGR-UHFFFAOYSA-N 1 0 404.515 -0.274 20 0 HBADRO CN(CCn1cccn1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000553272071 1069937414 /nfs/dbraw/zinc/93/74/14/1069937414.db2.gz NJJJATOVEVNJDL-UHFFFAOYSA-N 1 0 414.514 -0.150 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000553273051 1069937224 /nfs/dbraw/zinc/93/72/24/1069937224.db2.gz YYLRGDAHFXCQIP-CABCVRRESA-N 1 0 406.487 -0.741 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000553273052 1069937359 /nfs/dbraw/zinc/93/73/59/1069937359.db2.gz YYLRGDAHFXCQIP-GJZGRUSLSA-N 1 0 406.487 -0.741 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000553273053 1069937515 /nfs/dbraw/zinc/93/75/15/1069937515.db2.gz YYLRGDAHFXCQIP-HUUCEWRRSA-N 1 0 406.487 -0.741 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000553273054 1069937540 /nfs/dbraw/zinc/93/75/40/1069937540.db2.gz YYLRGDAHFXCQIP-LSDHHAIUSA-N 1 0 406.487 -0.741 20 0 HBADRO C[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H]1CO ZINC000553275114 1069937316 /nfs/dbraw/zinc/93/73/16/1069937316.db2.gz SDPXWZWFRJPAEE-DLBZAZTESA-N 1 0 404.515 -0.276 20 0 HBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H]1CO ZINC000553275115 1069937561 /nfs/dbraw/zinc/93/75/61/1069937561.db2.gz SDPXWZWFRJPAEE-IAGOWNOFSA-N 1 0 404.515 -0.276 20 0 HBADRO C[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1CO ZINC000553275116 1069937472 /nfs/dbraw/zinc/93/74/72/1069937472.db2.gz SDPXWZWFRJPAEE-IRXDYDNUSA-N 1 0 404.515 -0.276 20 0 HBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1CO ZINC000553275117 1069938236 /nfs/dbraw/zinc/93/82/36/1069938236.db2.gz SDPXWZWFRJPAEE-SJORKVTESA-N 1 0 404.515 -0.276 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000553275903 1069938437 /nfs/dbraw/zinc/93/84/37/1069938437.db2.gz XZVIYYANVGTFBX-CVEARBPZSA-N 1 0 420.514 -0.746 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000553275904 1069938502 /nfs/dbraw/zinc/93/85/02/1069938502.db2.gz XZVIYYANVGTFBX-HOTGVXAUSA-N 1 0 420.514 -0.746 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000553275905 1069938135 /nfs/dbraw/zinc/93/81/35/1069938135.db2.gz XZVIYYANVGTFBX-HZPDHXFCSA-N 1 0 420.514 -0.746 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000553275906 1069937926 /nfs/dbraw/zinc/93/79/26/1069937926.db2.gz XZVIYYANVGTFBX-JKSUJKDBSA-N 1 0 420.514 -0.746 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000553277967 1069938485 /nfs/dbraw/zinc/93/84/85/1069938485.db2.gz CHMCBYOMFSLXFH-MSOLQXFVSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000553277968 1069938053 /nfs/dbraw/zinc/93/80/53/1069938053.db2.gz CHMCBYOMFSLXFH-QZTJIDSGSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000553277969 1069938371 /nfs/dbraw/zinc/93/83/71/1069938371.db2.gz CHMCBYOMFSLXFH-ROUUACIJSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000553277970 1069938287 /nfs/dbraw/zinc/93/82/87/1069938287.db2.gz CHMCBYOMFSLXFH-ZWKOTPCHSA-N 1 0 423.558 -0.632 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 ZINC000553278026 1069938184 /nfs/dbraw/zinc/93/81/84/1069938184.db2.gz DVRUVGLMUMAPLE-INIZCTEOSA-N 1 0 412.531 -0.301 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 ZINC000553278027 1069938419 /nfs/dbraw/zinc/93/84/19/1069938419.db2.gz DVRUVGLMUMAPLE-MRXNPFEDSA-N 1 0 412.531 -0.301 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000553278534 1069939060 /nfs/dbraw/zinc/93/90/60/1069939060.db2.gz WSDNLOQVXOHLLM-HNNXBMFYSA-N 1 0 406.487 -0.639 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000553278535 1069939183 /nfs/dbraw/zinc/93/91/83/1069939183.db2.gz WSDNLOQVXOHLLM-OAHLLOKOSA-N 1 0 406.487 -0.639 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000553282483 1069673345 /nfs/dbraw/zinc/67/33/45/1069673345.db2.gz CFCUKLOUSRYVEV-UHFFFAOYSA-N 1 0 411.532 -0.614 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000553284696 1069941527 /nfs/dbraw/zinc/94/15/27/1069941527.db2.gz BSIWKNRDLOWYEG-UHFFFAOYSA-N 1 0 420.514 -0.249 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000553286094 1069942259 /nfs/dbraw/zinc/94/22/59/1069942259.db2.gz GXNBJYRCYGTVON-HNNXBMFYSA-N 1 0 405.503 -0.970 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000553286095 1069942133 /nfs/dbraw/zinc/94/21/33/1069942133.db2.gz GXNBJYRCYGTVON-OAHLLOKOSA-N 1 0 405.503 -0.970 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC1)CC2 ZINC000553286407 1069942193 /nfs/dbraw/zinc/94/21/93/1069942193.db2.gz PWYWPHHGYOOLKF-HRBLRVMOSA-N 1 0 415.542 -0.213 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC1)CC2 ZINC000553286408 1069942843 /nfs/dbraw/zinc/94/28/43/1069942843.db2.gz PWYWPHHGYOOLKF-XNHLSEOASA-N 1 0 415.542 -0.213 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC([NH+]3CCCCC3)CC2)[C@H](O)[C@@H]1O ZINC000553294932 1069940730 /nfs/dbraw/zinc/94/07/30/1069940730.db2.gz WUCRXEGYNWDHTF-WVSUBDOOSA-N 1 0 418.498 -0.108 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000553299757 1069940659 /nfs/dbraw/zinc/94/06/59/1069940659.db2.gz UYFZNABKSLYEFE-UHFFFAOYSA-N 1 0 408.568 -0.007 20 0 HBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553329839 1069945711 /nfs/dbraw/zinc/94/57/11/1069945711.db2.gz QZMIZUPUPGREQE-HNNXBMFYSA-N 1 0 420.601 -0.425 20 0 HBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553329841 1069945841 /nfs/dbraw/zinc/94/58/41/1069945841.db2.gz QZMIZUPUPGREQE-OAHLLOKOSA-N 1 0 420.601 -0.425 20 0 HBADRO CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000553330591 1069945664 /nfs/dbraw/zinc/94/56/64/1069945664.db2.gz NZHIJSKIVFAVGJ-AWEZNQCLSA-N 1 0 404.558 -0.824 20 0 HBADRO CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000553330592 1069945738 /nfs/dbraw/zinc/94/57/38/1069945738.db2.gz NZHIJSKIVFAVGJ-CQSZACIVSA-N 1 0 404.558 -0.824 20 0 HBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553334008 1069945892 /nfs/dbraw/zinc/94/58/92/1069945892.db2.gz RDJHRBXSDXIGFV-DAEWCUBLSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553334009 1069945642 /nfs/dbraw/zinc/94/56/42/1069945642.db2.gz RDJHRBXSDXIGFV-MZVSAMGMSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553334010 1069945703 /nfs/dbraw/zinc/94/57/03/1069945703.db2.gz RDJHRBXSDXIGFV-OAVPVUAOSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553334011 1069945856 /nfs/dbraw/zinc/94/58/56/1069945856.db2.gz RDJHRBXSDXIGFV-ZVWXDJDZSA-N 1 0 404.471 -0.499 20 0 HBADRO C[NH+](C)CCOc1ccc(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1 ZINC000553336661 1069683736 /nfs/dbraw/zinc/68/37/36/1069683736.db2.gz BQPQOFWIOYBHRD-UHFFFAOYSA-N 1 0 401.471 0.161 20 0 HBADRO CC(C)(C)[N@@H+]1CCCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000553338680 1069947323 /nfs/dbraw/zinc/94/73/23/1069947323.db2.gz JQYSFMIHXFDVNY-SCFUHWHPSA-N 1 0 406.487 -0.252 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553338808 1069947278 /nfs/dbraw/zinc/94/72/78/1069947278.db2.gz OLFNQYCUORHQBW-BPAMBQHCSA-N 1 0 406.487 -0.030 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553338809 1069947595 /nfs/dbraw/zinc/94/75/95/1069947595.db2.gz OLFNQYCUORHQBW-BYMDKACISA-N 1 0 406.487 -0.030 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C1CCCC1 ZINC000553343173 1069949078 /nfs/dbraw/zinc/94/90/78/1069949078.db2.gz HEJQCBFHRWLLIY-UHFFFAOYSA-N 1 0 402.499 -0.180 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000553343790 1069948892 /nfs/dbraw/zinc/94/88/92/1069948892.db2.gz DXPGDEHMXRSNTJ-DZGCQCFKSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000553343791 1069949108 /nfs/dbraw/zinc/94/91/08/1069949108.db2.gz DXPGDEHMXRSNTJ-HIFRSBDPSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000553343792 1069949242 /nfs/dbraw/zinc/94/92/42/1069949242.db2.gz DXPGDEHMXRSNTJ-UKRRQHHQSA-N 1 0 412.512 -0.391 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000553343793 1069948958 /nfs/dbraw/zinc/94/89/58/1069948958.db2.gz DXPGDEHMXRSNTJ-ZFWWWQNUSA-N 1 0 412.512 -0.391 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553344753 1069949983 /nfs/dbraw/zinc/94/99/83/1069949983.db2.gz AMJMYMMHCBNBEY-AWEZNQCLSA-N 1 0 418.585 -0.386 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553344754 1069950005 /nfs/dbraw/zinc/95/00/05/1069950005.db2.gz AMJMYMMHCBNBEY-CQSZACIVSA-N 1 0 418.585 -0.386 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC000553346435 1069949793 /nfs/dbraw/zinc/94/97/93/1069949793.db2.gz BEAYHHFPQAMMPR-KRWDZBQOSA-N 1 0 421.542 -0.878 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC000553346437 1069950991 /nfs/dbraw/zinc/95/09/91/1069950991.db2.gz BEAYHHFPQAMMPR-QGZVFWFLSA-N 1 0 421.542 -0.878 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000553351240 1069950748 /nfs/dbraw/zinc/95/07/48/1069950748.db2.gz FNDJBDZBXHYSKR-INIZCTEOSA-N 1 0 423.539 -0.095 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000553351241 1069950965 /nfs/dbraw/zinc/95/09/65/1069950965.db2.gz FNDJBDZBXHYSKR-MRXNPFEDSA-N 1 0 423.539 -0.095 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000553354114 1069950917 /nfs/dbraw/zinc/95/09/17/1069950917.db2.gz JKJFNYZWKSCTCI-HNNXBMFYSA-N 1 0 408.503 -0.149 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000553354115 1069950454 /nfs/dbraw/zinc/95/04/54/1069950454.db2.gz JKJFNYZWKSCTCI-OAHLLOKOSA-N 1 0 408.503 -0.149 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553361500 1069951697 /nfs/dbraw/zinc/95/16/97/1069951697.db2.gz GNEBMRMCXIXUOM-KRWDZBQOSA-N 1 0 421.542 -0.878 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553361501 1069951848 /nfs/dbraw/zinc/95/18/48/1069951848.db2.gz GNEBMRMCXIXUOM-QGZVFWFLSA-N 1 0 421.542 -0.878 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000553366495 1069952577 /nfs/dbraw/zinc/95/25/77/1069952577.db2.gz SACOFDFBBRBOOM-AWEZNQCLSA-N 1 0 409.512 -0.487 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000553366496 1069952437 /nfs/dbraw/zinc/95/24/37/1069952437.db2.gz SACOFDFBBRBOOM-CQSZACIVSA-N 1 0 409.512 -0.487 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000553367104 1069951788 /nfs/dbraw/zinc/95/17/88/1069951788.db2.gz AHLJNLCDVJLBLY-KBPBESRZSA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000553367105 1069952890 /nfs/dbraw/zinc/95/28/90/1069952890.db2.gz AHLJNLCDVJLBLY-KGLIPLIRSA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000553367106 1069952822 /nfs/dbraw/zinc/95/28/22/1069952822.db2.gz AHLJNLCDVJLBLY-UONOGXRCSA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000553367107 1069952478 /nfs/dbraw/zinc/95/24/78/1069952478.db2.gz AHLJNLCDVJLBLY-ZIAGYGMSSA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000553367236 1069951932 /nfs/dbraw/zinc/95/19/32/1069951932.db2.gz GDOWEQRAIDBZIU-CYBMUJFWSA-N 1 0 400.487 -0.389 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000553367237 1069951561 /nfs/dbraw/zinc/95/15/61/1069951561.db2.gz GDOWEQRAIDBZIU-ZDUSSCGKSA-N 1 0 400.487 -0.389 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553373158 1069952616 /nfs/dbraw/zinc/95/26/16/1069952616.db2.gz PNDTWVOEKNGAEL-INIZCTEOSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553373159 1069952930 /nfs/dbraw/zinc/95/29/30/1069952930.db2.gz PNDTWVOEKNGAEL-MRXNPFEDSA-N 1 0 407.559 -0.012 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000553376509 1069953732 /nfs/dbraw/zinc/95/37/32/1069953732.db2.gz PMROCYJHOQITQY-KRWDZBQOSA-N 1 0 413.478 -0.174 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000553376510 1069953710 /nfs/dbraw/zinc/95/37/10/1069953710.db2.gz PMROCYJHOQITQY-QGZVFWFLSA-N 1 0 413.478 -0.174 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c(S(N)(=O)=O)c1 ZINC000553387817 1069954191 /nfs/dbraw/zinc/95/41/91/1069954191.db2.gz JSJJAIHCHIJAJT-GFCCVEGCSA-N 1 0 405.546 -0.758 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c(S(N)(=O)=O)c1 ZINC000553387818 1069954600 /nfs/dbraw/zinc/95/46/00/1069954600.db2.gz JSJJAIHCHIJAJT-LBPRGKRZSA-N 1 0 405.546 -0.758 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000553388864 1069954543 /nfs/dbraw/zinc/95/45/43/1069954543.db2.gz JUTQDSOIQITHSC-CDUMDVBJSA-N 1 0 418.498 -0.108 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000553388865 1069954400 /nfs/dbraw/zinc/95/44/00/1069954400.db2.gz JUTQDSOIQITHSC-SWQDORGXSA-N 1 0 418.498 -0.108 20 0 HBADRO C[N@H+](CCOc1cccc(CNC(=O)C(=O)N2CCNC(=O)C2)c1)C1CCOCC1 ZINC000553390662 1069954280 /nfs/dbraw/zinc/95/42/80/1069954280.db2.gz DGKDZWDXKYWTIU-UHFFFAOYSA-N 1 0 418.494 -0.249 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)nc1 ZINC000553394548 1069955692 /nfs/dbraw/zinc/95/56/92/1069955692.db2.gz PIMYBMYKIRZPNS-HNNXBMFYSA-N 1 0 419.482 -0.600 20 0 HBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)nc1 ZINC000553394549 1069955366 /nfs/dbraw/zinc/95/53/66/1069955366.db2.gz PIMYBMYKIRZPNS-OAHLLOKOSA-N 1 0 419.482 -0.600 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000553397820 1069956289 /nfs/dbraw/zinc/95/62/89/1069956289.db2.gz ZFZHHILPXNHBPS-DZGCQCFKSA-N 1 0 412.512 -0.310 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000553397821 1069956496 /nfs/dbraw/zinc/95/64/96/1069956496.db2.gz ZFZHHILPXNHBPS-HIFRSBDPSA-N 1 0 412.512 -0.310 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000553397822 1069956335 /nfs/dbraw/zinc/95/63/35/1069956335.db2.gz ZFZHHILPXNHBPS-UKRRQHHQSA-N 1 0 412.512 -0.310 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000553397823 1069956194 /nfs/dbraw/zinc/95/61/94/1069956194.db2.gz ZFZHHILPXNHBPS-ZFWWWQNUSA-N 1 0 412.512 -0.310 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CC[C@H](C[NH+]3CCCCC3)C2)[C@H](O)[C@@H]1O ZINC000553398836 1069956170 /nfs/dbraw/zinc/95/61/70/1069956170.db2.gz QWVJJNGZJQDTJH-CDUMDVBJSA-N 1 0 418.498 -0.250 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CC[C@@H](C[NH+]3CCCCC3)C2)[C@H](O)[C@@H]1O ZINC000553398837 1069956418 /nfs/dbraw/zinc/95/64/18/1069956418.db2.gz QWVJJNGZJQDTJH-SWQDORGXSA-N 1 0 418.498 -0.250 20 0 HBADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000553402380 1069957838 /nfs/dbraw/zinc/95/78/38/1069957838.db2.gz ZDJMFNBCHGCNPN-UHFFFAOYSA-N 1 0 411.484 -0.035 20 0 HBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000553403908 1069958717 /nfs/dbraw/zinc/95/87/17/1069958717.db2.gz GKRUXMKHSSROEX-UHFFFAOYSA-N 1 0 419.526 -0.011 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCCC1 ZINC000553404732 1069958796 /nfs/dbraw/zinc/95/87/96/1069958796.db2.gz MNADKSQSNWKMCJ-UHFFFAOYSA-N 1 0 420.601 -0.281 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1=CC[N@H+](C)CC1 ZINC000553405822 1069959531 /nfs/dbraw/zinc/95/95/31/1069959531.db2.gz CEKCNHBJXAKKML-CYBMUJFWSA-N 1 0 404.558 -0.752 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1=CC[N@H+](C)CC1 ZINC000553405823 1069959662 /nfs/dbraw/zinc/95/96/62/1069959662.db2.gz CEKCNHBJXAKKML-ZDUSSCGKSA-N 1 0 404.558 -0.752 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)C1 ZINC000553406211 1069959704 /nfs/dbraw/zinc/95/97/04/1069959704.db2.gz QJDTYDFPEJUKDX-CABCVRRESA-N 1 0 420.601 -0.330 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 ZINC000553406212 1069959603 /nfs/dbraw/zinc/95/96/03/1069959603.db2.gz QJDTYDFPEJUKDX-GJZGRUSLSA-N 1 0 420.601 -0.330 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)C1 ZINC000553406213 1069959397 /nfs/dbraw/zinc/95/93/97/1069959397.db2.gz QJDTYDFPEJUKDX-HUUCEWRRSA-N 1 0 420.601 -0.330 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 ZINC000553406214 1069959459 /nfs/dbraw/zinc/95/94/59/1069959459.db2.gz QJDTYDFPEJUKDX-LSDHHAIUSA-N 1 0 420.601 -0.330 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H](CO)O1 ZINC000553407086 1069960512 /nfs/dbraw/zinc/96/05/12/1069960512.db2.gz XMJKRMMIFSRSBO-BEFAXECRSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H](CO)O1 ZINC000553407087 1069960269 /nfs/dbraw/zinc/96/02/69/1069960269.db2.gz XMJKRMMIFSRSBO-DNVCBOLYSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H](CO)O1 ZINC000553407088 1069960609 /nfs/dbraw/zinc/96/06/09/1069960609.db2.gz XMJKRMMIFSRSBO-HNAYVOBHSA-N 1 0 405.495 -0.132 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H](CO)O1 ZINC000553407089 1069960394 /nfs/dbraw/zinc/96/03/94/1069960394.db2.gz XMJKRMMIFSRSBO-KXBFYZLASA-N 1 0 405.495 -0.132 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553407195 1069960528 /nfs/dbraw/zinc/96/05/28/1069960528.db2.gz BOSCFYRAZCPCAH-HNNXBMFYSA-N 1 0 420.601 -0.329 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553407196 1069960648 /nfs/dbraw/zinc/96/06/48/1069960648.db2.gz BOSCFYRAZCPCAH-OAHLLOKOSA-N 1 0 420.601 -0.329 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000553408286 1069960409 /nfs/dbraw/zinc/96/04/09/1069960409.db2.gz WPSHWPWTTBECIN-KFAHYOAQSA-N 1 0 404.471 -0.133 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000553408287 1069960622 /nfs/dbraw/zinc/96/06/22/1069960622.db2.gz WPSHWPWTTBECIN-SSFGXONLSA-N 1 0 404.471 -0.133 20 0 HBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553410093 1069961282 /nfs/dbraw/zinc/96/12/82/1069961282.db2.gz QSQZCTICHGMVQL-AWEZNQCLSA-N 1 0 420.601 -0.330 20 0 HBADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553410094 1069961238 /nfs/dbraw/zinc/96/12/38/1069961238.db2.gz QSQZCTICHGMVQL-CQSZACIVSA-N 1 0 420.601 -0.330 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)(C)C ZINC000553410358 1069962090 /nfs/dbraw/zinc/96/20/90/1069962090.db2.gz YDYGOQOSHGTKLO-AWEZNQCLSA-N 1 0 422.617 -0.036 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)(C)C ZINC000553410360 1069962070 /nfs/dbraw/zinc/96/20/70/1069962070.db2.gz YDYGOQOSHGTKLO-CQSZACIVSA-N 1 0 422.617 -0.036 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)N2CCC([NH+](CCOC)CCOC)CC2)CC1 ZINC000553414832 1069962674 /nfs/dbraw/zinc/96/26/74/1069962674.db2.gz NHZIJVDZRLHNMP-UHFFFAOYSA-N 1 0 413.563 -0.034 20 0 HBADRO CCn1nc(C)c(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000553437592 1069964400 /nfs/dbraw/zinc/96/44/00/1069964400.db2.gz YIKXRWWPOCBROM-KRWDZBQOSA-N 1 0 404.515 -0.099 20 0 HBADRO CCn1nc(C)c(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000553437593 1069964223 /nfs/dbraw/zinc/96/42/23/1069964223.db2.gz YIKXRWWPOCBROM-QGZVFWFLSA-N 1 0 404.515 -0.099 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553454507 1069965878 /nfs/dbraw/zinc/96/58/78/1069965878.db2.gz IIBGEVOLQFXYHO-UHFFFAOYSA-N 1 0 410.496 -0.090 20 0 HBADRO C[NH+](C)CCCC1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000553465383 1069967261 /nfs/dbraw/zinc/96/72/61/1069967261.db2.gz NDNRQTSMFNLOJM-WVSUBDOOSA-N 1 0 420.514 -0.004 20 0 HBADRO CC(=O)N1CC[C@H](Nc2nc(NC(C)(C)C)nc(N[C@H]3CCN(C(C)=O)C3)[nH+]2)C1 ZINC000553481305 1069968236 /nfs/dbraw/zinc/96/82/36/1069968236.db2.gz MKNPACLXAVBDSY-GJZGRUSLSA-N 1 0 404.519 -0.009 20 0 HBADRO CC(=O)N1CC[C@@H](Nc2nc(NC(C)(C)C)nc(N[C@@H]3CCN(C(C)=O)C3)[nH+]2)C1 ZINC000553481306 1069968008 /nfs/dbraw/zinc/96/80/08/1069968008.db2.gz MKNPACLXAVBDSY-HUUCEWRRSA-N 1 0 404.519 -0.009 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553490500 1069969733 /nfs/dbraw/zinc/96/97/33/1069969733.db2.gz ZJQKEGXHMXYVHV-CDUMDVBJSA-N 1 0 418.498 -0.394 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000553490513 1069969704 /nfs/dbraw/zinc/96/97/04/1069969704.db2.gz ZJQKEGXHMXYVHV-SWQDORGXSA-N 1 0 418.498 -0.394 20 0 HBADRO C[NH+](C)CC1(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCCC1 ZINC000553493234 1069968265 /nfs/dbraw/zinc/96/82/65/1069968265.db2.gz WXENERBVDCRUOP-SCFUHWHPSA-N 1 0 406.487 -0.028 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000553501151 1069973020 /nfs/dbraw/zinc/97/30/20/1069973020.db2.gz DCBXVEFQAJQIEO-HNNXBMFYSA-N 1 0 416.526 -0.048 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000553501152 1069973070 /nfs/dbraw/zinc/97/30/70/1069973070.db2.gz DCBXVEFQAJQIEO-OAHLLOKOSA-N 1 0 416.526 -0.048 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]3CO)c2)C1 ZINC000553503570 1069970628 /nfs/dbraw/zinc/97/06/28/1069970628.db2.gz BZKOBHJDTFSMNM-MSOLQXFVSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3CO)c2)C1 ZINC000553503571 1069970527 /nfs/dbraw/zinc/97/05/27/1069970527.db2.gz BZKOBHJDTFSMNM-QZTJIDSGSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]3CO)c2)C1 ZINC000553503572 1069970402 /nfs/dbraw/zinc/97/04/02/1069970402.db2.gz BZKOBHJDTFSMNM-ROUUACIJSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3CO)c2)C1 ZINC000553503573 1069970553 /nfs/dbraw/zinc/97/05/53/1069970553.db2.gz BZKOBHJDTFSMNM-ZWKOTPCHSA-N 1 0 402.495 -0.017 20 0 HBADRO CC(C)Nc1nc(NCCO)nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000553510071 1069971248 /nfs/dbraw/zinc/97/12/48/1069971248.db2.gz RNKCTOGPQFEWEL-SJPCQFCGSA-N 1 0 404.563 -0.313 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000553521004 1069974503 /nfs/dbraw/zinc/97/45/03/1069974503.db2.gz UOTCGDPGLZEXLY-UHFFFAOYSA-N 1 0 408.484 -0.862 20 0 HBADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000553528705 1069973007 /nfs/dbraw/zinc/97/30/07/1069973007.db2.gz UKJRDBGKANECKH-GOSISDBHSA-N 1 0 404.511 -0.171 20 0 HBADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000553528707 1069972948 /nfs/dbraw/zinc/97/29/48/1069972948.db2.gz UKJRDBGKANECKH-SFHVURJKSA-N 1 0 404.511 -0.171 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000553529931 1069973581 /nfs/dbraw/zinc/97/35/81/1069973581.db2.gz NGYWFRYFQDOPHF-IBGZPJMESA-N 1 0 420.510 -0.351 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000553529932 1069973662 /nfs/dbraw/zinc/97/36/62/1069973662.db2.gz NGYWFRYFQDOPHF-LJQANCHMSA-N 1 0 420.510 -0.351 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000553530537 1069973737 /nfs/dbraw/zinc/97/37/37/1069973737.db2.gz WOYJYPHOILMOBI-UHFFFAOYSA-N 1 0 420.510 -0.050 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000553534355 1069973764 /nfs/dbraw/zinc/97/37/64/1069973764.db2.gz MDTDTGXOLRRVRT-CABCVRRESA-N 1 0 403.549 -0.361 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000553534356 1069973682 /nfs/dbraw/zinc/97/36/82/1069973682.db2.gz MDTDTGXOLRRVRT-HUUCEWRRSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1)S(C)(=O)=O ZINC000553536724 1069974474 /nfs/dbraw/zinc/97/44/74/1069974474.db2.gz XAFKGBZOJOLERL-CVEARBPZSA-N 1 0 417.576 -0.113 20 0 HBADRO CN(C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1)S(C)(=O)=O ZINC000553536725 1069974616 /nfs/dbraw/zinc/97/46/16/1069974616.db2.gz XAFKGBZOJOLERL-HOTGVXAUSA-N 1 0 417.576 -0.113 20 0 HBADRO CN(C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1)S(C)(=O)=O ZINC000553536726 1069974662 /nfs/dbraw/zinc/97/46/62/1069974662.db2.gz XAFKGBZOJOLERL-HZPDHXFCSA-N 1 0 417.576 -0.113 20 0 HBADRO CN(C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1)S(C)(=O)=O ZINC000553536727 1069974593 /nfs/dbraw/zinc/97/45/93/1069974593.db2.gz XAFKGBZOJOLERL-JKSUJKDBSA-N 1 0 417.576 -0.113 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000553539656 1069974581 /nfs/dbraw/zinc/97/45/81/1069974581.db2.gz BBURJNDSHIHXBS-UHFFFAOYSA-N 1 0 406.549 -0.512 20 0 HBADRO Cn1nccc1[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC(=O)N1C1CC1 ZINC000553541187 1069975525 /nfs/dbraw/zinc/97/55/25/1069975525.db2.gz DCOCBCKAVFZWLX-QGPMSJSTSA-N 1 0 417.514 -0.137 20 0 HBADRO Cn1nccc1[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC(=O)N1C1CC1 ZINC000553541188 1069975336 /nfs/dbraw/zinc/97/53/36/1069975336.db2.gz DCOCBCKAVFZWLX-UWWQBHOKSA-N 1 0 417.514 -0.137 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(F)(F)F ZINC000553541908 1069977643 /nfs/dbraw/zinc/97/76/43/1069977643.db2.gz HMGVXLSITJGSOA-GHMZBOCLSA-N 1 0 417.454 -0.552 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(F)(F)F ZINC000553541909 1069977831 /nfs/dbraw/zinc/97/78/31/1069977831.db2.gz HMGVXLSITJGSOA-MNOVXSKESA-N 1 0 417.454 -0.552 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(F)(F)F ZINC000553541910 1069977803 /nfs/dbraw/zinc/97/78/03/1069977803.db2.gz HMGVXLSITJGSOA-QWRGUYRKSA-N 1 0 417.454 -0.552 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(F)(F)F ZINC000553541911 1069977024 /nfs/dbraw/zinc/97/70/24/1069977024.db2.gz HMGVXLSITJGSOA-WDEREUQCSA-N 1 0 417.454 -0.552 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC2CC([NH+]3CCCCC3)C2)[C@H](O)[C@@H]1O ZINC000553544319 1069977747 /nfs/dbraw/zinc/97/77/47/1069977747.db2.gz VBBHKQPFEJEAPH-UIKOTCIDSA-N 1 0 404.471 -0.133 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCC2CC[NH+](C3CC3)CC2)[C@H](O)[C@@H]1O ZINC000553562546 1069976821 /nfs/dbraw/zinc/97/68/21/1069976821.db2.gz XSQGKUXSCFQAGS-NVQRDWNXSA-N 1 0 404.471 -0.276 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](O)[C@@H]1O ZINC000553568701 1069978424 /nfs/dbraw/zinc/97/84/24/1069978424.db2.gz NNQUCLYTFOJLIJ-BPAMBQHCSA-N 1 0 404.471 -0.133 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](O)[C@@H]1O ZINC000553568702 1069978284 /nfs/dbraw/zinc/97/82/84/1069978284.db2.gz NNQUCLYTFOJLIJ-BYMDKACISA-N 1 0 404.471 -0.133 20 0 HBADRO C[C@H]1C[N@H+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCCO1 ZINC000553583301 1069979712 /nfs/dbraw/zinc/97/97/12/1069979712.db2.gz QTHKOVRXHORLLH-BPAMBQHCSA-N 1 0 422.486 -0.649 20 0 HBADRO C[C@@H]1C[N@H+](CCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCCO1 ZINC000553583303 1069980706 /nfs/dbraw/zinc/98/07/06/1069980706.db2.gz QTHKOVRXHORLLH-BYMDKACISA-N 1 0 422.486 -0.649 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)cn2)CC1 ZINC000553593989 1069979238 /nfs/dbraw/zinc/97/92/38/1069979238.db2.gz SZFIKWIFWDEKQC-ZWKOTPCHSA-N 1 0 417.510 -0.144 20 0 HBADRO Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000553595264 1069979180 /nfs/dbraw/zinc/97/91/80/1069979180.db2.gz OBDGGAATQBNMGW-KRWDZBQOSA-N 1 0 404.515 -0.164 20 0 HBADRO Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000553595265 1069978914 /nfs/dbraw/zinc/97/89/14/1069978914.db2.gz OBDGGAATQBNMGW-QGZVFWFLSA-N 1 0 404.515 -0.164 20 0 HBADRO CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000553597167 1069979942 /nfs/dbraw/zinc/97/99/42/1069979942.db2.gz FMOMUJRZTTUFAA-IBGZPJMESA-N 1 0 407.559 -0.010 20 0 HBADRO CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000553597170 1069980015 /nfs/dbraw/zinc/98/00/15/1069980015.db2.gz FMOMUJRZTTUFAA-LJQANCHMSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000553597258 1069980001 /nfs/dbraw/zinc/98/00/01/1069980001.db2.gz HHYPHHCRUFBTFO-UHFFFAOYSA-N 1 0 407.515 -0.872 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)cn1 ZINC000553598408 1069979742 /nfs/dbraw/zinc/97/97/42/1069979742.db2.gz MKTNILLCSFBPJM-UHFFFAOYSA-N 1 0 404.515 -0.170 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553598814 1069979618 /nfs/dbraw/zinc/97/96/18/1069979618.db2.gz VNFZWSOAWWZPHS-UHFFFAOYSA-N 1 0 416.544 -0.759 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000553599401 1069979687 /nfs/dbraw/zinc/97/96/87/1069979687.db2.gz GOXUMOQUIPQZQD-INIZCTEOSA-N 1 0 420.514 -0.353 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000553599402 1069979772 /nfs/dbraw/zinc/97/97/72/1069979772.db2.gz GOXUMOQUIPQZQD-MRXNPFEDSA-N 1 0 420.514 -0.353 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000553600097 1069979812 /nfs/dbraw/zinc/97/98/12/1069979812.db2.gz VEPPXTQYEAPIBK-UHFFFAOYSA-N 1 0 418.560 -0.514 20 0 HBADRO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553601807 1069983730 /nfs/dbraw/zinc/98/37/30/1069983730.db2.gz KRRNOXPAPHQLJT-HNNXBMFYSA-N 1 0 401.529 -0.217 20 0 HBADRO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000553601809 1069983633 /nfs/dbraw/zinc/98/36/33/1069983633.db2.gz KRRNOXPAPHQLJT-OAHLLOKOSA-N 1 0 401.529 -0.217 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000553602127 1069983431 /nfs/dbraw/zinc/98/34/31/1069983431.db2.gz UPQXRFNCAWOSPZ-GOSISDBHSA-N 1 0 408.543 -0.072 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000553602128 1069983688 /nfs/dbraw/zinc/98/36/88/1069983688.db2.gz UPQXRFNCAWOSPZ-SFHVURJKSA-N 1 0 408.543 -0.072 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000553604396 1069983489 /nfs/dbraw/zinc/98/34/89/1069983489.db2.gz UTXXYTXADWAFDH-UHFFFAOYSA-N 1 0 404.515 -0.185 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000553604473 1069983519 /nfs/dbraw/zinc/98/35/19/1069983519.db2.gz OFMZHVNHVLPJCD-UHFFFAOYSA-N 1 0 402.499 -0.114 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1=O ZINC000553611214 1069981152 /nfs/dbraw/zinc/98/11/52/1069981152.db2.gz JBOHCUGHXAWHJF-INIZCTEOSA-N 1 0 417.514 -0.768 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC1=O ZINC000553611215 1069981479 /nfs/dbraw/zinc/98/14/79/1069981479.db2.gz JBOHCUGHXAWHJF-MRXNPFEDSA-N 1 0 417.514 -0.768 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000553614250 1069982288 /nfs/dbraw/zinc/98/22/88/1069982288.db2.gz ZDLSJTJSKYZLGE-BZSNNMDCSA-N 1 0 416.526 -0.276 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000553614251 1069982153 /nfs/dbraw/zinc/98/21/53/1069982153.db2.gz ZDLSJTJSKYZLGE-KSZLIROESA-N 1 0 416.526 -0.276 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000553614252 1069982106 /nfs/dbraw/zinc/98/21/06/1069982106.db2.gz ZDLSJTJSKYZLGE-OKZBNKHCSA-N 1 0 416.526 -0.276 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000553614253 1069982196 /nfs/dbraw/zinc/98/21/96/1069982196.db2.gz ZDLSJTJSKYZLGE-RCCFBDPRSA-N 1 0 416.526 -0.276 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCCC2=O)CC1 ZINC000553617521 1069982272 /nfs/dbraw/zinc/98/22/72/1069982272.db2.gz HSPJOEUXJRSDRK-UHFFFAOYSA-N 1 0 409.531 -0.482 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H](C)N1CCOCC1 ZINC000553617580 1069982879 /nfs/dbraw/zinc/98/28/79/1069982879.db2.gz FEPXUXKQZIKBBO-CVEARBPZSA-N 1 0 407.515 -0.136 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H](C)N1CCOCC1 ZINC000553617581 1069982776 /nfs/dbraw/zinc/98/27/76/1069982776.db2.gz FEPXUXKQZIKBBO-HOTGVXAUSA-N 1 0 407.515 -0.136 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H](C)N1CCOCC1 ZINC000553617582 1069982872 /nfs/dbraw/zinc/98/28/72/1069982872.db2.gz FEPXUXKQZIKBBO-HZPDHXFCSA-N 1 0 407.515 -0.136 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1CCOCC1 ZINC000553617583 1069982963 /nfs/dbraw/zinc/98/29/63/1069982963.db2.gz FEPXUXKQZIKBBO-JKSUJKDBSA-N 1 0 407.515 -0.136 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000553617939 1069982928 /nfs/dbraw/zinc/98/29/28/1069982928.db2.gz KIDBYOGGWXMTMI-DLBZAZTESA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000553617942 1069982743 /nfs/dbraw/zinc/98/27/43/1069982743.db2.gz KIDBYOGGWXMTMI-IAGOWNOFSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000553617944 1069982905 /nfs/dbraw/zinc/98/29/05/1069982905.db2.gz KIDBYOGGWXMTMI-IRXDYDNUSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000553617946 1069982795 /nfs/dbraw/zinc/98/27/95/1069982795.db2.gz KIDBYOGGWXMTMI-SJORKVTESA-N 1 0 411.547 -0.776 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000553618566 1069982977 /nfs/dbraw/zinc/98/29/77/1069982977.db2.gz BGQOSVZAMLIJKK-UHFFFAOYSA-N 1 0 424.542 -0.157 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)CC2 ZINC000553619802 1069985719 /nfs/dbraw/zinc/98/57/19/1069985719.db2.gz MFBKDLHHLXNRQV-AWEZNQCLSA-N 1 0 422.530 -0.139 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)CC2 ZINC000553619803 1069986029 /nfs/dbraw/zinc/98/60/29/1069986029.db2.gz MFBKDLHHLXNRQV-CQSZACIVSA-N 1 0 422.530 -0.139 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000553621037 1069985981 /nfs/dbraw/zinc/98/59/81/1069985981.db2.gz WWXVUUGRJSIOEF-MSOLQXFVSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H](C)N1CCOCC1 ZINC000553621038 1069986051 /nfs/dbraw/zinc/98/60/51/1069986051.db2.gz WWXVUUGRJSIOEF-QZTJIDSGSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000553621039 1069985641 /nfs/dbraw/zinc/98/56/41/1069985641.db2.gz WWXVUUGRJSIOEF-ROUUACIJSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCOCC1 ZINC000553621040 1069985989 /nfs/dbraw/zinc/98/59/89/1069985989.db2.gz WWXVUUGRJSIOEF-ZWKOTPCHSA-N 1 0 409.575 -0.302 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000553637550 1069984789 /nfs/dbraw/zinc/98/47/89/1069984789.db2.gz BMGWINZSTQEIJA-DZGCQCFKSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000553637551 1069984921 /nfs/dbraw/zinc/98/49/21/1069984921.db2.gz BMGWINZSTQEIJA-HIFRSBDPSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000553637552 1069985102 /nfs/dbraw/zinc/98/51/02/1069985102.db2.gz BMGWINZSTQEIJA-UKRRQHHQSA-N 1 0 407.902 -0.077 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000553637553 1069984895 /nfs/dbraw/zinc/98/48/95/1069984895.db2.gz BMGWINZSTQEIJA-ZFWWWQNUSA-N 1 0 407.902 -0.077 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000553657426 1069986783 /nfs/dbraw/zinc/98/67/83/1069986783.db2.gz GBZHMLWEYTUZAL-CVEARBPZSA-N 1 0 417.576 -0.006 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000553657431 1069987674 /nfs/dbraw/zinc/98/76/74/1069987674.db2.gz GBZHMLWEYTUZAL-HZPDHXFCSA-N 1 0 417.576 -0.006 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553670818 1069989301 /nfs/dbraw/zinc/98/93/01/1069989301.db2.gz KMRRJIZMKMQNFW-HNNXBMFYSA-N 1 0 420.601 -0.138 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553670823 1069989199 /nfs/dbraw/zinc/98/91/99/1069989199.db2.gz KMRRJIZMKMQNFW-OAHLLOKOSA-N 1 0 420.601 -0.138 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553674560 1069989363 /nfs/dbraw/zinc/98/93/63/1069989363.db2.gz JDMDJUNJHIVCOW-AWEZNQCLSA-N 1 0 406.574 -0.671 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000553674562 1069988994 /nfs/dbraw/zinc/98/89/94/1069988994.db2.gz JDMDJUNJHIVCOW-CQSZACIVSA-N 1 0 406.574 -0.671 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000553684066 1069991601 /nfs/dbraw/zinc/99/16/01/1069991601.db2.gz DWOSPDWDSWOMLG-KRWDZBQOSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000553684067 1069991357 /nfs/dbraw/zinc/99/13/57/1069991357.db2.gz DWOSPDWDSWOMLG-QGZVFWFLSA-N 1 0 423.558 -0.632 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)CC2)no1 ZINC000553684131 1069593159 /nfs/dbraw/zinc/59/31/59/1069593159.db2.gz GRVWQZKAYYQPFA-UHFFFAOYSA-N 1 0 420.514 0.056 20 0 HBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000553687494 1069991621 /nfs/dbraw/zinc/99/16/21/1069991621.db2.gz FFJDKAZERWTEQK-HNNXBMFYSA-N 1 0 412.498 -0.094 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000553687499 1069991549 /nfs/dbraw/zinc/99/15/49/1069991549.db2.gz FFJDKAZERWTEQK-OAHLLOKOSA-N 1 0 412.498 -0.094 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000553703358 1069993100 /nfs/dbraw/zinc/99/31/00/1069993100.db2.gz QJSXZOMDBCATSM-UHFFFAOYSA-N 1 0 408.503 -0.075 20 0 HBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553705374 1069991200 /nfs/dbraw/zinc/99/12/00/1069991200.db2.gz BQGOQKUFMLIEMC-DAEWCUBLSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553705375 1069991474 /nfs/dbraw/zinc/99/14/74/1069991474.db2.gz BQGOQKUFMLIEMC-MZVSAMGMSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553705376 1069991576 /nfs/dbraw/zinc/99/15/76/1069991576.db2.gz BQGOQKUFMLIEMC-OAVPVUAOSA-N 1 0 404.471 -0.499 20 0 HBADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553705377 1069991423 /nfs/dbraw/zinc/99/14/23/1069991423.db2.gz BQGOQKUFMLIEMC-ZVWXDJDZSA-N 1 0 404.471 -0.499 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C1 ZINC000553711865 1069992406 /nfs/dbraw/zinc/99/24/06/1069992406.db2.gz OPJDMYJTUYXGCJ-BQFCYCMXSA-N 1 0 424.521 -0.372 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C1 ZINC000553711866 1069992246 /nfs/dbraw/zinc/99/22/46/1069992246.db2.gz OPJDMYJTUYXGCJ-JZXOWHBKSA-N 1 0 424.521 -0.372 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000553712238 1069992185 /nfs/dbraw/zinc/99/21/85/1069992185.db2.gz VWHDMASWJUASMZ-PMACEKPBSA-N 1 0 418.538 -0.117 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000553712240 1069992321 /nfs/dbraw/zinc/99/23/21/1069992321.db2.gz VWHDMASWJUASMZ-UXHICEINSA-N 1 0 418.538 -0.117 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000553712242 1069992101 /nfs/dbraw/zinc/99/21/01/1069992101.db2.gz VWHDMASWJUASMZ-VQTJNVASSA-N 1 0 418.538 -0.117 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000553712243 1069992439 /nfs/dbraw/zinc/99/24/39/1069992439.db2.gz VWHDMASWJUASMZ-WOJBJXKFSA-N 1 0 418.538 -0.117 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553720720 1069993318 /nfs/dbraw/zinc/99/33/18/1069993318.db2.gz XXRLZAGFTJWGJY-HZPDHXFCSA-N 1 0 404.581 -0.418 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553720722 1069992856 /nfs/dbraw/zinc/99/28/56/1069992856.db2.gz XXRLZAGFTJWGJY-JKSUJKDBSA-N 1 0 404.581 -0.418 20 0 HBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+](CCOC)C3)CC2)n1 ZINC000553732546 1069993810 /nfs/dbraw/zinc/99/38/10/1069993810.db2.gz GJKAOCAJLIBLOU-INIZCTEOSA-N 1 0 420.514 -0.249 20 0 HBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)n1 ZINC000553732547 1069994155 /nfs/dbraw/zinc/99/41/55/1069994155.db2.gz GJKAOCAJLIBLOU-MRXNPFEDSA-N 1 0 420.514 -0.249 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553732615 1069994075 /nfs/dbraw/zinc/99/40/75/1069994075.db2.gz GYYUKFGICUPUHB-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553732618 1069994212 /nfs/dbraw/zinc/99/42/12/1069994212.db2.gz GYYUKFGICUPUHB-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000553733130 1069993984 /nfs/dbraw/zinc/99/39/84/1069993984.db2.gz LLEQYCGTYLZTSK-KRWDZBQOSA-N 1 0 420.485 -0.124 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000553733131 1069994787 /nfs/dbraw/zinc/99/47/87/1069994787.db2.gz LLEQYCGTYLZTSK-QGZVFWFLSA-N 1 0 420.485 -0.124 20 0 HBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553741667 1069995420 /nfs/dbraw/zinc/99/54/20/1069995420.db2.gz SEFAIKTVTLYOGC-AWEZNQCLSA-N 1 0 406.574 -0.719 20 0 HBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553741668 1069995728 /nfs/dbraw/zinc/99/57/28/1069995728.db2.gz SEFAIKTVTLYOGC-CQSZACIVSA-N 1 0 406.574 -0.719 20 0 HBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000553743221 1069996170 /nfs/dbraw/zinc/99/61/70/1069996170.db2.gz DFULRCJMLNGLDK-UHFFFAOYSA-N 1 0 420.601 -0.186 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553744884 1069997228 /nfs/dbraw/zinc/99/72/28/1069997228.db2.gz HAMYLASLDPWJRZ-UHFFFAOYSA-N 1 0 406.574 -0.576 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC[C@@H]21 ZINC000553745616 1069996263 /nfs/dbraw/zinc/99/62/63/1069996263.db2.gz JFUWOVZHGPGPEZ-CABCVRRESA-N 1 0 418.585 -0.576 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC[C@@H]21 ZINC000553745617 1069996474 /nfs/dbraw/zinc/99/64/74/1069996474.db2.gz JFUWOVZHGPGPEZ-GJZGRUSLSA-N 1 0 418.585 -0.576 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC[C@H]21 ZINC000553745618 1069996100 /nfs/dbraw/zinc/99/61/00/1069996100.db2.gz JFUWOVZHGPGPEZ-HUUCEWRRSA-N 1 0 418.585 -0.576 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC[C@H]21 ZINC000553745834 1069997055 /nfs/dbraw/zinc/99/70/55/1069997055.db2.gz JFUWOVZHGPGPEZ-LSDHHAIUSA-N 1 0 418.585 -0.576 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000553755884 1069997733 /nfs/dbraw/zinc/99/77/33/1069997733.db2.gz MRNXUQCCGLFGPF-UHFFFAOYSA-N 1 0 413.496 -0.223 20 0 HBADRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000553756379 1069997761 /nfs/dbraw/zinc/99/77/61/1069997761.db2.gz XVJMFOHCXAYYCZ-UHFFFAOYSA-N 1 0 413.496 -0.223 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000553760699 1069997720 /nfs/dbraw/zinc/99/77/20/1069997720.db2.gz IWFZAUOHFZXRJU-CVEARBPZSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000553760701 1069997969 /nfs/dbraw/zinc/99/79/69/1069997969.db2.gz IWFZAUOHFZXRJU-HOTGVXAUSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000553760702 1069998063 /nfs/dbraw/zinc/99/80/63/1069998063.db2.gz IWFZAUOHFZXRJU-HZPDHXFCSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000553760704 1069997807 /nfs/dbraw/zinc/99/78/07/1069997807.db2.gz IWFZAUOHFZXRJU-JKSUJKDBSA-N 1 0 407.515 -0.685 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000553760935 1069995369 /nfs/dbraw/zinc/99/53/69/1069995369.db2.gz OXTRHQPAODTNJA-KRWDZBQOSA-N 1 0 407.559 -0.155 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000553760936 1069995535 /nfs/dbraw/zinc/99/55/35/1069995535.db2.gz OXTRHQPAODTNJA-QGZVFWFLSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CCO2 ZINC000553761609 1069994890 /nfs/dbraw/zinc/99/48/90/1069994890.db2.gz YVGHCTHEMWIFQO-FOIQADDNSA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CCO2 ZINC000553761615 1069994718 /nfs/dbraw/zinc/99/47/18/1069994718.db2.gz YVGHCTHEMWIFQO-MGPUTAFESA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CCO2 ZINC000553761617 1069994774 /nfs/dbraw/zinc/99/47/74/1069994774.db2.gz YVGHCTHEMWIFQO-QRWLVFNGSA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CCO2 ZINC000553761619 1069994940 /nfs/dbraw/zinc/99/49/40/1069994940.db2.gz YVGHCTHEMWIFQO-YWZLYKJASA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)CC1 ZINC000553763111 1070000908 /nfs/dbraw/zinc/00/09/08/1070000908.db2.gz GKHDCCCSQPXHIB-KRWDZBQOSA-N 1 0 404.515 -0.067 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)CC1 ZINC000553763112 1070000955 /nfs/dbraw/zinc/00/09/55/1070000955.db2.gz GKHDCCCSQPXHIB-QGZVFWFLSA-N 1 0 404.515 -0.067 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000553763274 1070001210 /nfs/dbraw/zinc/00/12/10/1070001210.db2.gz HXKIFXFRJGFSFQ-UHFFFAOYSA-N 1 0 409.531 -0.628 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000553763288 1070000985 /nfs/dbraw/zinc/00/09/85/1070000985.db2.gz IFZBDLSFZSFFAS-DYESRHJHSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000553763289 1070001165 /nfs/dbraw/zinc/00/11/65/1070001165.db2.gz IFZBDLSFZSFFAS-LAUBAEHRSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000553763290 1070001195 /nfs/dbraw/zinc/00/11/95/1070001195.db2.gz IFZBDLSFZSFFAS-UTKZUKDTSA-N 1 0 424.542 -0.158 20 0 HBADRO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000553763291 1070000942 /nfs/dbraw/zinc/00/09/42/1070000942.db2.gz IFZBDLSFZSFFAS-UWJYYQICSA-N 1 0 424.542 -0.158 20 0 HBADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000553763349 1070000851 /nfs/dbraw/zinc/00/08/51/1070000851.db2.gz JPHABZHLUNPUQX-CVEARBPZSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000553763401 1070001043 /nfs/dbraw/zinc/00/10/43/1070001043.db2.gz JPHABZHLUNPUQX-HOTGVXAUSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000553763402 1070001134 /nfs/dbraw/zinc/00/11/34/1070001134.db2.gz JPHABZHLUNPUQX-HZPDHXFCSA-N 1 0 423.558 -0.049 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000553763403 1070001023 /nfs/dbraw/zinc/00/10/23/1070001023.db2.gz JPHABZHLUNPUQX-JKSUJKDBSA-N 1 0 423.558 -0.049 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000553763984 1070001859 /nfs/dbraw/zinc/00/18/59/1070001859.db2.gz VRYNSKLWJUNRKK-UHFFFAOYSA-N 1 0 409.531 -0.628 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553764002 1070001669 /nfs/dbraw/zinc/00/16/69/1070001669.db2.gz VTVKGNFEFHTHAQ-OAHLLOKOSA-N 1 0 410.515 -0.153 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553783710 1070000321 /nfs/dbraw/zinc/00/03/21/1070000321.db2.gz ZKHRNQBLVNWUGU-HOTGVXAUSA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000553783712 1070000114 /nfs/dbraw/zinc/00/01/14/1070000114.db2.gz ZKHRNQBLVNWUGU-HZPDHXFCSA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553783714 1070000443 /nfs/dbraw/zinc/00/04/43/1070000443.db2.gz ZKHRNQBLVNWUGU-IYBDPMFKSA-N 1 0 411.547 -0.729 20 0 HBADRO NS(=O)(=O)c1cnn(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000553801006 1070002311 /nfs/dbraw/zinc/00/23/11/1070002311.db2.gz DPWISSYKVCBJIV-UHFFFAOYSA-N 1 0 406.512 -0.141 20 0 HBADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCNC(=O)C1 ZINC000553805865 1070003332 /nfs/dbraw/zinc/00/33/32/1070003332.db2.gz IVFNUWLTOCKHRD-UHFFFAOYSA-N 1 0 407.902 -0.073 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553814746 1070004945 /nfs/dbraw/zinc/00/49/45/1070004945.db2.gz PFMQULMQSPKKEV-KRWDZBQOSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000553814748 1070004539 /nfs/dbraw/zinc/00/45/39/1070004539.db2.gz PFMQULMQSPKKEV-QGZVFWFLSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000553825841 1070006270 /nfs/dbraw/zinc/00/62/70/1070006270.db2.gz RLYTWZBQTHBEMD-OAHLLOKOSA-N 1 0 410.544 -0.166 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1C ZINC000553829665 1070006101 /nfs/dbraw/zinc/00/61/01/1070006101.db2.gz DHYVSFOWNCFWFS-UHFFFAOYSA-N 1 0 419.574 -0.022 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000553834052 1070004815 /nfs/dbraw/zinc/00/48/15/1070004815.db2.gz CNIVBRHFGLSJIY-GOSISDBHSA-N 1 0 414.510 -0.015 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1C ZINC000553834056 1070004738 /nfs/dbraw/zinc/00/47/38/1070004738.db2.gz CNIVBRHFGLSJIY-SFHVURJKSA-N 1 0 414.510 -0.015 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cnc(N(C)C)n3C)C2)CC1 ZINC000553834627 1070004690 /nfs/dbraw/zinc/00/46/90/1070004690.db2.gz HJTFEGUPOUUPGI-INIZCTEOSA-N 1 0 405.547 -0.271 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cnc(N(C)C)n3C)C2)CC1 ZINC000553834629 1070004888 /nfs/dbraw/zinc/00/48/88/1070004888.db2.gz HJTFEGUPOUUPGI-MRXNPFEDSA-N 1 0 405.547 -0.271 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3cnc(N(C)C)n3C)CC2)c1 ZINC000553835359 1070004454 /nfs/dbraw/zinc/00/44/54/1070004454.db2.gz QZQMLKCREHAKCM-UHFFFAOYSA-N 1 0 401.471 -0.145 20 0 HBADRO C[NH+](C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000553855175 1070006960 /nfs/dbraw/zinc/00/69/60/1070006960.db2.gz FYAXGEGKAZFEBB-CYBMUJFWSA-N 1 0 414.484 -0.952 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000553855176 1070006856 /nfs/dbraw/zinc/00/68/56/1070006856.db2.gz FYAXGEGKAZFEBB-ZDUSSCGKSA-N 1 0 414.484 -0.952 20 0 HBADRO CC(C)NS(=O)(=O)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000553870405 1070008885 /nfs/dbraw/zinc/00/88/85/1070008885.db2.gz VQXWPDVNSFXNER-GOOCMWNKSA-N 1 0 403.549 -0.303 20 0 HBADRO Cn1ccnc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)c1=O ZINC000553881160 1070011280 /nfs/dbraw/zinc/01/12/80/1070011280.db2.gz LZNDCVGQILALHU-CABCVRRESA-N 1 0 405.503 -0.612 20 0 HBADRO Cn1ccnc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)c1=O ZINC000553881161 1070012160 /nfs/dbraw/zinc/01/21/60/1070012160.db2.gz LZNDCVGQILALHU-GJZGRUSLSA-N 1 0 405.503 -0.612 20 0 HBADRO Cn1ccnc(N2CCC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)C2)c1=O ZINC000553881162 1070011915 /nfs/dbraw/zinc/01/19/15/1070011915.db2.gz LZNDCVGQILALHU-HUUCEWRRSA-N 1 0 405.503 -0.612 20 0 HBADRO Cn1ccnc(N2CCC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)C2)c1=O ZINC000553881164 1070011657 /nfs/dbraw/zinc/01/16/57/1070011657.db2.gz LZNDCVGQILALHU-LSDHHAIUSA-N 1 0 405.503 -0.612 20 0 HBADRO CN(C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1)S(C)(=O)=O ZINC000553882285 1070012023 /nfs/dbraw/zinc/01/20/23/1070012023.db2.gz QNBJYAJPZPJUAL-CABCVRRESA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1)S(C)(=O)=O ZINC000553882290 1070011724 /nfs/dbraw/zinc/01/17/24/1070011724.db2.gz QNBJYAJPZPJUAL-GJZGRUSLSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1)S(C)(=O)=O ZINC000553882291 1070011863 /nfs/dbraw/zinc/01/18/63/1070011863.db2.gz QNBJYAJPZPJUAL-HUUCEWRRSA-N 1 0 403.549 -0.361 20 0 HBADRO CN(C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1)S(C)(=O)=O ZINC000553882292 1070012090 /nfs/dbraw/zinc/01/20/90/1070012090.db2.gz QNBJYAJPZPJUAL-LSDHHAIUSA-N 1 0 403.549 -0.361 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000553893422 1070010354 /nfs/dbraw/zinc/01/03/54/1070010354.db2.gz HJAITRHXIDNFPO-UHFFFAOYSA-N 1 0 404.515 -0.333 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000553893678 1070010577 /nfs/dbraw/zinc/01/05/77/1070010577.db2.gz BHAPHPIFNUDWEW-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000553895802 1070010200 /nfs/dbraw/zinc/01/02/00/1070010200.db2.gz SAAJAVKXVBHGSE-INIZCTEOSA-N 1 0 417.576 -0.006 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000553895807 1070010609 /nfs/dbraw/zinc/01/06/09/1070010609.db2.gz SAAJAVKXVBHGSE-MRXNPFEDSA-N 1 0 417.576 -0.006 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000553898693 1070011152 /nfs/dbraw/zinc/01/11/52/1070011152.db2.gz TVJRKCITCBAQDQ-UHFFFAOYSA-N 1 0 414.470 -0.483 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)C1 ZINC000553919139 1070012531 /nfs/dbraw/zinc/01/25/31/1070012531.db2.gz ONBRVRXJNHWIOO-AYEUKFJJSA-N 1 0 411.572 -0.002 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)C1 ZINC000553919141 1070012750 /nfs/dbraw/zinc/01/27/50/1070012750.db2.gz ONBRVRXJNHWIOO-JAGNJQOISA-N 1 0 411.572 -0.002 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)C1 ZINC000553919142 1070012892 /nfs/dbraw/zinc/01/28/92/1070012892.db2.gz ONBRVRXJNHWIOO-WJSCTFBISA-N 1 0 411.572 -0.002 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)C1 ZINC000553919143 1070012448 /nfs/dbraw/zinc/01/24/48/1070012448.db2.gz ONBRVRXJNHWIOO-YAHRNXAISA-N 1 0 411.572 -0.002 20 0 HBADRO CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](CC)CC3)C1)CC2 ZINC000553930923 1070016793 /nfs/dbraw/zinc/01/67/93/1070016793.db2.gz MQJCNQYWXRWHKI-CVEARBPZSA-N 1 0 403.531 -0.490 20 0 HBADRO CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](CC)CC3)C1)CC2 ZINC000553930927 1070016856 /nfs/dbraw/zinc/01/68/56/1070016856.db2.gz MQJCNQYWXRWHKI-HOTGVXAUSA-N 1 0 403.531 -0.490 20 0 HBADRO CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](CC)CC3)C1)CC2 ZINC000553930929 1070016832 /nfs/dbraw/zinc/01/68/32/1070016832.db2.gz MQJCNQYWXRWHKI-HZPDHXFCSA-N 1 0 403.531 -0.490 20 0 HBADRO CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](CC)CC3)C1)CC2 ZINC000553930932 1070017077 /nfs/dbraw/zinc/01/70/77/1070017077.db2.gz MQJCNQYWXRWHKI-JKSUJKDBSA-N 1 0 403.531 -0.490 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000553936154 1070015553 /nfs/dbraw/zinc/01/55/53/1070015553.db2.gz CYPFMUHJCCHSTF-WMZOPIPTSA-N 1 0 421.542 -0.040 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000553939280 1070016160 /nfs/dbraw/zinc/01/61/60/1070016160.db2.gz YLSALLJOKSQDTM-DLBZAZTESA-N 1 0 418.608 -0.170 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000553939281 1070015906 /nfs/dbraw/zinc/01/59/06/1070015906.db2.gz YLSALLJOKSQDTM-IAGOWNOFSA-N 1 0 418.608 -0.170 20 0 HBADRO C[C@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000553939713 1070016021 /nfs/dbraw/zinc/01/60/21/1070016021.db2.gz ACKSVLAPZCBILS-HZPDHXFCSA-N 1 0 404.581 -0.560 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000553939734 1070016316 /nfs/dbraw/zinc/01/63/16/1070016316.db2.gz AWSMTBVZHLVLIH-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO C[C@@H](CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000553939736 1070015961 /nfs/dbraw/zinc/01/59/61/1070015961.db2.gz ACKSVLAPZCBILS-JKSUJKDBSA-N 1 0 404.581 -0.560 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000553957500 1070018258 /nfs/dbraw/zinc/01/82/58/1070018258.db2.gz FMIVYNWTTDTSBS-UHFFFAOYSA-N 1 0 420.514 -0.399 20 0 HBADRO CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(=O)N1CCOCC1 ZINC000553958548 1070016980 /nfs/dbraw/zinc/01/69/80/1070016980.db2.gz OARXFJRRWYOSRB-INIZCTEOSA-N 1 0 412.531 -0.254 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(=O)N1CCOCC1 ZINC000553958549 1070016899 /nfs/dbraw/zinc/01/68/99/1070016899.db2.gz OARXFJRRWYOSRB-MRXNPFEDSA-N 1 0 412.531 -0.254 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000553959821 1070016882 /nfs/dbraw/zinc/01/68/82/1070016882.db2.gz NKQKOHCHDCEZBV-UHFFFAOYSA-N 1 0 412.512 -0.649 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000553960044 1070017618 /nfs/dbraw/zinc/01/76/18/1070017618.db2.gz ZKVFPNNHUODFEZ-HNNXBMFYSA-N 1 0 418.560 -0.468 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000553960050 1070017476 /nfs/dbraw/zinc/01/74/76/1070017476.db2.gz ZKVFPNNHUODFEZ-OAHLLOKOSA-N 1 0 418.560 -0.468 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000553962464 1070017662 /nfs/dbraw/zinc/01/76/62/1070017662.db2.gz WAGYDMDOYPVVCD-INIZCTEOSA-N 1 0 410.515 -0.500 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000553962466 1070017738 /nfs/dbraw/zinc/01/77/38/1070017738.db2.gz WAGYDMDOYPVVCD-MRXNPFEDSA-N 1 0 410.515 -0.500 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000553964177 1070017805 /nfs/dbraw/zinc/01/78/05/1070017805.db2.gz YJSWMFIZRXHUDC-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000553974961 1070018745 /nfs/dbraw/zinc/01/87/45/1070018745.db2.gz ILSOZSXPPDHSHF-VIFPVBQESA-N 1 0 402.860 -0.149 20 0 HBADRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000553974988 1070018728 /nfs/dbraw/zinc/01/87/28/1070018728.db2.gz LHOOFPHPGYZODH-UHFFFAOYSA-N 1 0 402.860 -0.277 20 0 HBADRO [NH3+]CC(=O)NCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000553975593 1070018898 /nfs/dbraw/zinc/01/88/98/1070018898.db2.gz FAQOVTSXWZTAGN-UHFFFAOYSA-N 1 0 401.389 -0.137 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000553978417 1070019487 /nfs/dbraw/zinc/01/94/87/1070019487.db2.gz IHYQXBSQLHWHFD-UHFFFAOYSA-N 1 0 413.544 -0.710 20 0 HBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553985143 1070019531 /nfs/dbraw/zinc/01/95/31/1070019531.db2.gz RJYLTVKOKWTEPE-INIZCTEOSA-N 1 0 415.560 -0.250 20 0 HBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000553985144 1070019569 /nfs/dbraw/zinc/01/95/69/1070019569.db2.gz RJYLTVKOKWTEPE-MRXNPFEDSA-N 1 0 415.560 -0.250 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553997112 1070020569 /nfs/dbraw/zinc/02/05/69/1070020569.db2.gz SBGQYGLJBKDHIA-NEPJUHHUSA-N 1 0 403.471 -0.256 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553997116 1070020804 /nfs/dbraw/zinc/02/08/04/1070020804.db2.gz SBGQYGLJBKDHIA-NWDGAFQWSA-N 1 0 403.471 -0.256 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553997117 1070020904 /nfs/dbraw/zinc/02/09/04/1070020904.db2.gz SBGQYGLJBKDHIA-RYUDHWBXSA-N 1 0 403.471 -0.256 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553997118 1070020531 /nfs/dbraw/zinc/02/05/31/1070020531.db2.gz SBGQYGLJBKDHIA-VXGBXAGGSA-N 1 0 403.471 -0.256 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000554018728 1070024621 /nfs/dbraw/zinc/02/46/21/1070024621.db2.gz FHDUCJNWAKCLBK-GOSISDBHSA-N 1 0 418.494 -0.249 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000554018729 1070024395 /nfs/dbraw/zinc/02/43/95/1070024395.db2.gz FHDUCJNWAKCLBK-SFHVURJKSA-N 1 0 418.494 -0.249 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000554030516 1070028141 /nfs/dbraw/zinc/02/81/41/1070028141.db2.gz ZTFNWEJYIROIHN-GDBMZVCRSA-N 1 0 405.474 -0.201 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000554030520 1070028207 /nfs/dbraw/zinc/02/82/07/1070028207.db2.gz ZTFNWEJYIROIHN-GOEBONIOSA-N 1 0 405.474 -0.201 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000554030523 1070028087 /nfs/dbraw/zinc/02/80/87/1070028087.db2.gz ZTFNWEJYIROIHN-HOCLYGCPSA-N 1 0 405.474 -0.201 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000554030526 1070027817 /nfs/dbraw/zinc/02/78/17/1070027817.db2.gz ZTFNWEJYIROIHN-ZBFHGGJFSA-N 1 0 405.474 -0.201 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000554037934 1070028788 /nfs/dbraw/zinc/02/87/88/1070028788.db2.gz KFOYRMBKYGKISR-INIZCTEOSA-N 1 0 407.533 -0.431 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000554037935 1070028560 /nfs/dbraw/zinc/02/85/60/1070028560.db2.gz KFOYRMBKYGKISR-MRXNPFEDSA-N 1 0 407.533 -0.431 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000554040109 1070025002 /nfs/dbraw/zinc/02/50/02/1070025002.db2.gz FTWMUUYQDMUBIT-AWEZNQCLSA-N 1 0 415.336 -0.096 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000554040110 1070025034 /nfs/dbraw/zinc/02/50/34/1070025034.db2.gz FTWMUUYQDMUBIT-CQSZACIVSA-N 1 0 415.336 -0.096 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000554040918 1070025249 /nfs/dbraw/zinc/02/52/49/1070025249.db2.gz VBCTUCLYDVBRJX-KRWDZBQOSA-N 1 0 419.501 -0.599 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000554040919 1070025111 /nfs/dbraw/zinc/02/51/11/1070025111.db2.gz VBCTUCLYDVBRJX-QGZVFWFLSA-N 1 0 419.501 -0.599 20 0 HBADRO CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000554041774 1070025391 /nfs/dbraw/zinc/02/53/91/1070025391.db2.gz JHIVPQFYQAVEOS-AWEZNQCLSA-N 1 0 409.560 -0.499 20 0 HBADRO CCc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000554041775 1070025074 /nfs/dbraw/zinc/02/50/74/1070025074.db2.gz JHIVPQFYQAVEOS-CQSZACIVSA-N 1 0 409.560 -0.499 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000554041868 1070025455 /nfs/dbraw/zinc/02/54/55/1070025455.db2.gz KUIWLCVQLUVICY-GOSISDBHSA-N 1 0 403.527 -0.428 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000554041871 1070025329 /nfs/dbraw/zinc/02/53/29/1070025329.db2.gz KUIWLCVQLUVICY-SFHVURJKSA-N 1 0 403.527 -0.428 20 0 HBADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1F ZINC000554042212 1070026333 /nfs/dbraw/zinc/02/63/33/1070026333.db2.gz PECVARRUYULHBA-UHFFFAOYSA-N 1 0 400.476 -0.393 20 0 HBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000554042235 1070025909 /nfs/dbraw/zinc/02/59/09/1070025909.db2.gz QDKGEQVKUGPSKM-IBGZPJMESA-N 1 0 415.538 -0.430 20 0 HBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000554042236 1070025780 /nfs/dbraw/zinc/02/57/80/1070025780.db2.gz QDKGEQVKUGPSKM-LJQANCHMSA-N 1 0 415.538 -0.430 20 0 HBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554042260 1070025736 /nfs/dbraw/zinc/02/57/36/1070025736.db2.gz RNHPKXVGISAYTE-JLMWRMLUSA-N 1 0 418.538 -0.083 20 0 HBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554042261 1070026256 /nfs/dbraw/zinc/02/62/56/1070026256.db2.gz RNHPKXVGISAYTE-KPLVRAHFSA-N 1 0 418.538 -0.083 20 0 HBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554042262 1070026486 /nfs/dbraw/zinc/02/64/86/1070026486.db2.gz RNHPKXVGISAYTE-LQBOVUBWSA-N 1 0 418.538 -0.083 20 0 HBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554042263 1070025822 /nfs/dbraw/zinc/02/58/22/1070025822.db2.gz RNHPKXVGISAYTE-LRXVAGHRSA-N 1 0 418.538 -0.083 20 0 HBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)nc1 ZINC000554042393 1070025863 /nfs/dbraw/zinc/02/58/63/1070025863.db2.gz SJKYQKRZDIUZSY-DLBZAZTESA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)nc1 ZINC000554042394 1070025963 /nfs/dbraw/zinc/02/59/63/1070025963.db2.gz SJKYQKRZDIUZSY-IAGOWNOFSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)nc1 ZINC000554042395 1070026460 /nfs/dbraw/zinc/02/64/60/1070026460.db2.gz SJKYQKRZDIUZSY-IRXDYDNUSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)nc1 ZINC000554042396 1070026159 /nfs/dbraw/zinc/02/61/59/1070026159.db2.gz SJKYQKRZDIUZSY-SJORKVTESA-N 1 0 416.526 -0.071 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000554042724 1070026067 /nfs/dbraw/zinc/02/60/67/1070026067.db2.gz CODVOLVDGQCNRC-KRWDZBQOSA-N 1 0 411.510 -0.427 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000554042725 1070026297 /nfs/dbraw/zinc/02/62/97/1070026297.db2.gz CODVOLVDGQCNRC-QGZVFWFLSA-N 1 0 411.510 -0.427 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000554042758 1070026355 /nfs/dbraw/zinc/02/63/55/1070026355.db2.gz ZBVDPBRPGSVTDH-AWEZNQCLSA-N 1 0 413.473 -0.716 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000554042759 1070026016 /nfs/dbraw/zinc/02/60/16/1070026016.db2.gz ZBVDPBRPGSVTDH-CQSZACIVSA-N 1 0 413.473 -0.716 20 0 HBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554043231 1070026889 /nfs/dbraw/zinc/02/68/89/1070026889.db2.gz KHUHXEJSJXUDOS-AZUAARDMSA-N 1 0 416.570 -0.325 20 0 HBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554043236 1070026797 /nfs/dbraw/zinc/02/67/97/1070026797.db2.gz KHUHXEJSJXUDOS-ICSRJNTNSA-N 1 0 416.570 -0.325 20 0 HBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554043238 1070027083 /nfs/dbraw/zinc/02/70/83/1070027083.db2.gz KHUHXEJSJXUDOS-QUCCMNQESA-N 1 0 416.570 -0.325 20 0 HBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554043240 1070027265 /nfs/dbraw/zinc/02/72/65/1070027265.db2.gz KHUHXEJSJXUDOS-UYAOXDASSA-N 1 0 416.570 -0.325 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000554104247 1070038204 /nfs/dbraw/zinc/03/82/04/1070038204.db2.gz GWPYZDWERUQJDS-UHFFFAOYSA-N 1 0 423.558 -0.238 20 0 HBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1(C)C ZINC000554104592 1070038365 /nfs/dbraw/zinc/03/83/65/1070038365.db2.gz JCJCJVIXSPSHPF-UHFFFAOYSA-N 1 0 423.558 -0.097 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000554105369 1070038350 /nfs/dbraw/zinc/03/83/50/1070038350.db2.gz SBPKIYYOGJAQGS-UHFFFAOYSA-N 1 0 417.514 -0.816 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000554105468 1070038297 /nfs/dbraw/zinc/03/82/97/1070038297.db2.gz VJDCEFVTBXBIAT-KRWDZBQOSA-N 1 0 411.547 -0.776 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000554105469 1070038975 /nfs/dbraw/zinc/03/89/75/1070038975.db2.gz VJDCEFVTBXBIAT-QGZVFWFLSA-N 1 0 411.547 -0.776 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000554106303 1070039650 /nfs/dbraw/zinc/03/96/50/1070039650.db2.gz GYZNAMFLPRQIGV-UHFFFAOYSA-N 1 0 409.531 -0.974 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000554106636 1070039572 /nfs/dbraw/zinc/03/95/72/1070039572.db2.gz OVQGWNNSDKSXCI-HNNXBMFYSA-N 1 0 400.545 -0.628 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2CCO)CC1 ZINC000554106637 1070039741 /nfs/dbraw/zinc/03/97/41/1070039741.db2.gz OVQGWNNSDKSXCI-OAHLLOKOSA-N 1 0 400.545 -0.628 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000554106795 1070039098 /nfs/dbraw/zinc/03/90/98/1070039098.db2.gz NWKOSQCYLPWDBP-FOIQADDNSA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000554106796 1070039141 /nfs/dbraw/zinc/03/91/41/1070039141.db2.gz NWKOSQCYLPWDBP-MGPUTAFESA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000554106797 1070038890 /nfs/dbraw/zinc/03/88/90/1070038890.db2.gz NWKOSQCYLPWDBP-QRWLVFNGSA-N 1 0 410.515 -0.548 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000554106799 1070038843 /nfs/dbraw/zinc/03/88/43/1070038843.db2.gz NWKOSQCYLPWDBP-YWZLYKJASA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000554106971 1070038898 /nfs/dbraw/zinc/03/88/98/1070038898.db2.gz SBKHZYCAEFSLBU-NRFANRHFSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000554106973 1070039029 /nfs/dbraw/zinc/03/90/29/1070039029.db2.gz SBKHZYCAEFSLBU-OAQYLSRUSA-N 1 0 424.542 -0.158 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000554107633 1070039718 /nfs/dbraw/zinc/03/97/18/1070039718.db2.gz URQDTLMBPFMWLJ-UHFFFAOYSA-N 1 0 417.514 -0.816 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000554107663 1070039439 /nfs/dbraw/zinc/03/94/39/1070039439.db2.gz ZXUKLSYWXDJUOJ-UHFFFAOYSA-N 1 0 419.530 -0.887 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)CC1 ZINC000554107902 1070039425 /nfs/dbraw/zinc/03/94/25/1070039425.db2.gz WNEJHXHFJADLEH-GOSISDBHSA-N 1 0 424.542 -0.301 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)CC1 ZINC000554107905 1070039411 /nfs/dbraw/zinc/03/94/11/1070039411.db2.gz WNEJHXHFJADLEH-SFHVURJKSA-N 1 0 424.542 -0.301 20 0 HBADRO CCS(=O)(=O)N1CC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000554116286 1070036141 /nfs/dbraw/zinc/03/61/41/1070036141.db2.gz DFWNHECYYYGNRM-MQVJKMGUSA-N 1 0 415.560 -0.349 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554123238 1070042952 /nfs/dbraw/zinc/04/29/52/1070042952.db2.gz FTZPWLBHVXYCGJ-KBPBESRZSA-N 1 0 419.448 -0.496 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554123239 1070043197 /nfs/dbraw/zinc/04/31/97/1070043197.db2.gz FTZPWLBHVXYCGJ-KGLIPLIRSA-N 1 0 419.448 -0.496 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554123240 1070043022 /nfs/dbraw/zinc/04/30/22/1070043022.db2.gz FTZPWLBHVXYCGJ-UONOGXRCSA-N 1 0 419.448 -0.496 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554123241 1070042838 /nfs/dbraw/zinc/04/28/38/1070042838.db2.gz FTZPWLBHVXYCGJ-ZIAGYGMSSA-N 1 0 419.448 -0.496 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000554123430 1070042813 /nfs/dbraw/zinc/04/28/13/1070042813.db2.gz CZGOQICBMYEARA-AWEZNQCLSA-N 1 0 420.432 -0.163 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000554123436 1070043050 /nfs/dbraw/zinc/04/30/50/1070043050.db2.gz CZGOQICBMYEARA-CQSZACIVSA-N 1 0 420.432 -0.163 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCC1=O ZINC000554124627 1070043631 /nfs/dbraw/zinc/04/36/31/1070043631.db2.gz LBTUXESPWSNKPG-INIZCTEOSA-N 1 0 423.558 -0.334 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCC1=O ZINC000554124630 1070043614 /nfs/dbraw/zinc/04/36/14/1070043614.db2.gz LBTUXESPWSNKPG-MRXNPFEDSA-N 1 0 423.558 -0.334 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554125793 1070044035 /nfs/dbraw/zinc/04/40/35/1070044035.db2.gz RVIKHIPVDXIBBQ-KGLIPLIRSA-N 1 0 420.432 -0.163 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554125794 1070043876 /nfs/dbraw/zinc/04/38/76/1070043876.db2.gz RVIKHIPVDXIBBQ-ZIAGYGMSSA-N 1 0 420.432 -0.163 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000554133059 1070040158 /nfs/dbraw/zinc/04/01/58/1070040158.db2.gz RUEPVPMMCLRWES-CYBMUJFWSA-N 1 0 407.437 -0.638 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000554133064 1070041118 /nfs/dbraw/zinc/04/11/18/1070041118.db2.gz RUEPVPMMCLRWES-ZDUSSCGKSA-N 1 0 407.437 -0.638 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)C2)CC1 ZINC000554135540 1070045944 /nfs/dbraw/zinc/04/59/44/1070045944.db2.gz NUWBJTQQUVMIBR-FGTMMUONSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)C2)CC1 ZINC000554135595 1070045751 /nfs/dbraw/zinc/04/57/51/1070045751.db2.gz NUWBJTQQUVMIBR-KZNAEPCWSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)C2)CC1 ZINC000554135596 1070045977 /nfs/dbraw/zinc/04/59/77/1070045977.db2.gz NUWBJTQQUVMIBR-OKZBNKHCSA-N 1 0 407.559 -0.012 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)C2)CC1 ZINC000554135597 1070046055 /nfs/dbraw/zinc/04/60/55/1070046055.db2.gz NUWBJTQQUVMIBR-RCCFBDPRSA-N 1 0 407.559 -0.012 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)[C@@H](C)C1 ZINC000554163658 1070048919 /nfs/dbraw/zinc/04/89/19/1070048919.db2.gz QNELNSOWBJOJBQ-JQHSSLGASA-N 1 0 412.531 -0.397 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)[C@H](C)C1 ZINC000554163659 1070048727 /nfs/dbraw/zinc/04/87/27/1070048727.db2.gz QNELNSOWBJOJBQ-NJAFHUGGSA-N 1 0 412.531 -0.397 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)[C@H](C)C1 ZINC000554163660 1070048963 /nfs/dbraw/zinc/04/89/63/1070048963.db2.gz QNELNSOWBJOJBQ-NXHRZFHOSA-N 1 0 412.531 -0.397 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)[C@@H](C)C1 ZINC000554163661 1070048769 /nfs/dbraw/zinc/04/87/69/1070048769.db2.gz QNELNSOWBJOJBQ-SZMVWBNQSA-N 1 0 412.531 -0.397 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC000554165532 1070049323 /nfs/dbraw/zinc/04/93/23/1070049323.db2.gz KSEKZERGLZHRTR-AGUYFDCRSA-N 1 0 407.475 -0.553 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)NCCNC(C)=O)cn2)CC1 ZINC000554174262 1070053270 /nfs/dbraw/zinc/05/32/70/1070053270.db2.gz OXAMKDLHRLZJNZ-UHFFFAOYSA-N 1 0 404.515 -0.128 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC1 ZINC000554175186 1069604960 /nfs/dbraw/zinc/60/49/60/1069604960.db2.gz MQRRQCCWPLDCQH-UHFFFAOYSA-N 1 0 410.519 0.562 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000554183585 1070053675 /nfs/dbraw/zinc/05/36/75/1070053675.db2.gz ZBWTWRVSWDKZGO-UHFFFAOYSA-N 1 0 405.499 -0.822 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC1 ZINC000554183655 1070054079 /nfs/dbraw/zinc/05/40/79/1070054079.db2.gz NDMHCOLOMUGXCV-UHFFFAOYSA-N 1 0 401.471 -0.145 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000554192205 1070055834 /nfs/dbraw/zinc/05/58/34/1070055834.db2.gz YAXJBIDYQXJZEG-INIZCTEOSA-N 1 0 423.558 -0.145 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000554192206 1070055714 /nfs/dbraw/zinc/05/57/14/1070055714.db2.gz YAXJBIDYQXJZEG-MRXNPFEDSA-N 1 0 423.558 -0.145 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000554198999 1070057215 /nfs/dbraw/zinc/05/72/15/1070057215.db2.gz HORWDOGQSWYHDZ-KSZLIROESA-N 1 0 408.543 -0.434 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000554199002 1070056977 /nfs/dbraw/zinc/05/69/77/1070056977.db2.gz HORWDOGQSWYHDZ-KURKYZTESA-N 1 0 408.543 -0.434 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000554199004 1070057311 /nfs/dbraw/zinc/05/73/11/1070057311.db2.gz HORWDOGQSWYHDZ-KZNAEPCWSA-N 1 0 408.543 -0.434 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000554199006 1070057055 /nfs/dbraw/zinc/05/70/55/1070057055.db2.gz HORWDOGQSWYHDZ-RCCFBDPRSA-N 1 0 408.543 -0.434 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000554199675 1070057260 /nfs/dbraw/zinc/05/72/60/1070057260.db2.gz NQSUUVRAWKWFCM-UHFFFAOYSA-N 1 0 418.542 -0.764 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000554199923 1070057108 /nfs/dbraw/zinc/05/71/08/1070057108.db2.gz OSXYCAYJIFBCAL-UHFFFAOYSA-N 1 0 423.480 -0.801 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000554200443 1070057603 /nfs/dbraw/zinc/05/76/03/1070057603.db2.gz RDUSGRCOKHXKQY-NRFANRHFSA-N 1 0 410.559 -0.088 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000554200444 1070057451 /nfs/dbraw/zinc/05/74/51/1070057451.db2.gz RDUSGRCOKHXKQY-OAQYLSRUSA-N 1 0 410.559 -0.088 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000554200952 1070057362 /nfs/dbraw/zinc/05/73/62/1070057362.db2.gz UYSHNPZQJDMWGD-GUDVDZBRSA-N 1 0 422.570 -0.043 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000554200953 1070056930 /nfs/dbraw/zinc/05/69/30/1070056930.db2.gz UYSHNPZQJDMWGD-IPMKNSEASA-N 1 0 422.570 -0.043 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000554200955 1070057145 /nfs/dbraw/zinc/05/71/45/1070057145.db2.gz UYSHNPZQJDMWGD-OTWHNJEPSA-N 1 0 422.570 -0.043 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000554200956 1070057405 /nfs/dbraw/zinc/05/74/05/1070057405.db2.gz UYSHNPZQJDMWGD-QRVBRYPASA-N 1 0 422.570 -0.043 20 0 HBADRO O=C(CNC(=O)CSCC(=O)N1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000554217920 1070058766 /nfs/dbraw/zinc/05/87/66/1070058766.db2.gz BNLZTMGVXLSRRZ-UHFFFAOYSA-N 1 0 400.545 -0.313 20 0 HBADRO Cn1c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000554218548 1070059945 /nfs/dbraw/zinc/05/99/45/1070059945.db2.gz LHZLXAJEPYVFJN-UHFFFAOYSA-N 1 0 418.498 -0.702 20 0 HBADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n(C)c1 ZINC000554219520 1070059733 /nfs/dbraw/zinc/05/97/33/1070059733.db2.gz WIRIRVHRKDZVFG-UHFFFAOYSA-N 1 0 413.544 -0.003 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000554220886 1070059927 /nfs/dbraw/zinc/05/99/27/1070059927.db2.gz GODQVTXLDJIAPF-UHFFFAOYSA-N 1 0 403.549 -0.729 20 0 HBADRO O=C(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)NCC[NH+]1CCCCCC1 ZINC000554229092 1070060896 /nfs/dbraw/zinc/06/08/96/1070060896.db2.gz DZOPUHYVBPADGE-UHFFFAOYSA-N 1 0 402.499 -0.260 20 0 HBADRO Cn1ccc(CNC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000554231713 1070061470 /nfs/dbraw/zinc/06/14/70/1070061470.db2.gz SJVKKGYCWFGKEW-UHFFFAOYSA-N 1 0 404.515 -0.123 20 0 HBADRO O=C(CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000554232469 1070061507 /nfs/dbraw/zinc/06/15/07/1070061507.db2.gz IEGDCMRVUXWZJG-GOSISDBHSA-N 1 0 423.558 -0.725 20 0 HBADRO O=C(CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000554232470 1070061534 /nfs/dbraw/zinc/06/15/34/1070061534.db2.gz IEGDCMRVUXWZJG-SFHVURJKSA-N 1 0 423.558 -0.725 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(F)(F)F ZINC000554233161 1070061495 /nfs/dbraw/zinc/06/14/95/1070061495.db2.gz NYBXIXIDUYMWCG-JTQLQIEISA-N 1 0 400.427 0.389 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(F)(F)F ZINC000554233168 1069546572 /nfs/dbraw/zinc/54/65/72/1069546572.db2.gz NYBXIXIDUYMWCG-SNVBAGLBSA-N 1 0 400.427 0.389 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000554233694 1070061434 /nfs/dbraw/zinc/06/14/34/1070061434.db2.gz UPBFRKBNTUOHIM-UHFFFAOYSA-N 1 0 414.532 -0.885 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000554255719 1070061839 /nfs/dbraw/zinc/06/18/39/1070061839.db2.gz CZOOCKGRWLHAOG-UHFFFAOYSA-N 1 0 407.515 -0.826 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000554262915 1070063800 /nfs/dbraw/zinc/06/38/00/1070063800.db2.gz HCJSNCFTHJPKGP-AWEZNQCLSA-N 1 0 401.467 -0.134 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000554262918 1070063865 /nfs/dbraw/zinc/06/38/65/1070063865.db2.gz HCJSNCFTHJPKGP-CQSZACIVSA-N 1 0 401.467 -0.134 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000554269142 1070064601 /nfs/dbraw/zinc/06/46/01/1070064601.db2.gz YXBHBCPEHFMHJU-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000554285614 1070065923 /nfs/dbraw/zinc/06/59/23/1070065923.db2.gz ORLHPVQDOHVUNZ-INIZCTEOSA-N 1 0 408.524 -0.063 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000554285615 1070065773 /nfs/dbraw/zinc/06/57/73/1070065773.db2.gz ORLHPVQDOHVUNZ-MRXNPFEDSA-N 1 0 408.524 -0.063 20 0 HBADRO CSCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000554287530 1070066697 /nfs/dbraw/zinc/06/66/97/1070066697.db2.gz CDKREUWDLHHBPB-CQSZACIVSA-N 1 0 401.558 -0.270 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000554294122 1070066952 /nfs/dbraw/zinc/06/69/52/1070066952.db2.gz AUFYUNGGGBNCDP-UHFFFAOYSA-N 1 0 400.501 -0.606 20 0 HBADRO CCc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000554294165 1070067299 /nfs/dbraw/zinc/06/72/99/1070067299.db2.gz DNCODMFPJRROGM-UHFFFAOYSA-N 1 0 410.540 -0.095 20 0 HBADRO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCN1CC[NH2+]CC1 ZINC000554294384 1070067065 /nfs/dbraw/zinc/06/70/65/1070067065.db2.gz YHBHIYVKLZNMJN-UHFFFAOYSA-N 1 0 410.540 -0.339 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCCN3CC[NH2+]CC3)CC2)cc1 ZINC000554295226 1070066874 /nfs/dbraw/zinc/06/68/74/1070066874.db2.gz NBZGPNRDJWRRCY-UHFFFAOYSA-N 1 0 423.583 -0.287 20 0 HBADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000554300873 1070067529 /nfs/dbraw/zinc/06/75/29/1070067529.db2.gz GULZZFOXFNDNCD-UHFFFAOYSA-N 1 0 408.402 -0.387 20 0 HBADRO [NH3+]CC(=O)NCC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000554301115 1070067762 /nfs/dbraw/zinc/06/77/62/1070067762.db2.gz QSJCBEVXWTZYRF-UHFFFAOYSA-N 1 0 417.388 -0.257 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324782 1070069874 /nfs/dbraw/zinc/06/98/74/1070069874.db2.gz IMROZLZUFKOVSD-HKUYNNGSSA-N 1 0 406.527 -0.225 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324790 1070070254 /nfs/dbraw/zinc/07/02/54/1070070254.db2.gz IMROZLZUFKOVSD-IEBWSBKVSA-N 1 0 406.527 -0.225 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324792 1070070049 /nfs/dbraw/zinc/07/00/49/1070070049.db2.gz IMROZLZUFKOVSD-MJGOQNOKSA-N 1 0 406.527 -0.225 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324794 1070070377 /nfs/dbraw/zinc/07/03/77/1070070377.db2.gz IMROZLZUFKOVSD-PKOBYXMFSA-N 1 0 406.527 -0.225 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000554326374 1070069996 /nfs/dbraw/zinc/06/99/96/1070069996.db2.gz ZJBPPNRNUAAFJI-KRWDZBQOSA-N 1 0 403.527 -0.097 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000554326375 1070070461 /nfs/dbraw/zinc/07/04/61/1070070461.db2.gz ZJBPPNRNUAAFJI-QGZVFWFLSA-N 1 0 403.527 -0.097 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000554330098 1070070537 /nfs/dbraw/zinc/07/05/37/1070070537.db2.gz LKEZDDZSLVMPOS-KRWDZBQOSA-N 1 0 424.523 -0.333 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000554330099 1070069977 /nfs/dbraw/zinc/06/99/77/1070069977.db2.gz LKEZDDZSLVMPOS-QGZVFWFLSA-N 1 0 424.523 -0.333 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000554333154 1070070670 /nfs/dbraw/zinc/07/06/70/1070070670.db2.gz FDUGNVWIIVTPQG-DFQSSKMNSA-N 1 0 417.554 -0.246 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000554333156 1070071400 /nfs/dbraw/zinc/07/14/00/1070071400.db2.gz FDUGNVWIIVTPQG-IHPCNDPISA-N 1 0 417.554 -0.246 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000554333158 1070071188 /nfs/dbraw/zinc/07/11/88/1070071188.db2.gz FDUGNVWIIVTPQG-SXLOBPIMSA-N 1 0 417.554 -0.246 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000554333160 1070071055 /nfs/dbraw/zinc/07/10/55/1070071055.db2.gz FDUGNVWIIVTPQG-YSIASYRMSA-N 1 0 417.554 -0.246 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000554334530 1070071329 /nfs/dbraw/zinc/07/13/29/1070071329.db2.gz DLOPUFWNRBWEQO-BZUAXINKSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000554334531 1070070806 /nfs/dbraw/zinc/07/08/06/1070070806.db2.gz DLOPUFWNRBWEQO-OAGGEKHMSA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000554334532 1070070898 /nfs/dbraw/zinc/07/08/98/1070070898.db2.gz DLOPUFWNRBWEQO-OWCLPIDISA-N 1 0 416.544 -0.762 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000554334533 1070071529 /nfs/dbraw/zinc/07/15/29/1070071529.db2.gz DLOPUFWNRBWEQO-PMPSAXMXSA-N 1 0 416.544 -0.762 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554336397 1070071726 /nfs/dbraw/zinc/07/17/26/1070071726.db2.gz AVXOPCLJFWKBKR-IKGGRYGDSA-N 1 0 411.547 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554336398 1070072273 /nfs/dbraw/zinc/07/22/73/1070072273.db2.gz AVXOPCLJFWKBKR-IXDOHACOSA-N 1 0 411.547 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554336399 1070072793 /nfs/dbraw/zinc/07/27/93/1070072793.db2.gz AVXOPCLJFWKBKR-ULQDDVLXSA-N 1 0 411.547 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554336400 1070073037 /nfs/dbraw/zinc/07/30/37/1070073037.db2.gz AVXOPCLJFWKBKR-YESZJQIVSA-N 1 0 411.547 -0.729 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC[N@@H+]1C ZINC000554336441 1070072901 /nfs/dbraw/zinc/07/29/01/1070072901.db2.gz BXQYNQCPHNCYED-ILXRZTDVSA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CCN1c1nccn2cnnc12 ZINC000554336442 1070073095 /nfs/dbraw/zinc/07/30/95/1070073095.db2.gz BXQYNQCPHNCYED-KFWWJZLASA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC[N@@H+]1C ZINC000554336443 1070071844 /nfs/dbraw/zinc/07/18/44/1070071844.db2.gz BXQYNQCPHNCYED-QLFBSQMISA-N 1 0 400.487 -0.240 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1c1nccn2cnnc12 ZINC000554336444 1070071765 /nfs/dbraw/zinc/07/17/65/1070071765.db2.gz BXQYNQCPHNCYED-RBSFLKMASA-N 1 0 400.487 -0.240 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000554336536 1070072103 /nfs/dbraw/zinc/07/21/03/1070072103.db2.gz FDCOCZJBMOSBIO-ARFHVFGLSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000554336537 1070071688 /nfs/dbraw/zinc/07/16/88/1070071688.db2.gz FDCOCZJBMOSBIO-BZUAXINKSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000554336538 1070072189 /nfs/dbraw/zinc/07/21/89/1070072189.db2.gz FDCOCZJBMOSBIO-HRCADAONSA-N 1 0 418.560 -0.516 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000554336539 1070071886 /nfs/dbraw/zinc/07/18/86/1070071886.db2.gz FDCOCZJBMOSBIO-OWCLPIDISA-N 1 0 418.560 -0.516 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[N@@H+]1C ZINC000554337047 1070072304 /nfs/dbraw/zinc/07/23/04/1070072304.db2.gz PLRYKUJNAJAMKU-CABCVRRESA-N 1 0 409.512 -0.487 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[N@@H+]1C ZINC000554337057 1070072066 /nfs/dbraw/zinc/07/20/66/1070072066.db2.gz PLRYKUJNAJAMKU-GJZGRUSLSA-N 1 0 409.512 -0.487 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[N@@H+]1C ZINC000554337058 1070071804 /nfs/dbraw/zinc/07/18/04/1070071804.db2.gz PLRYKUJNAJAMKU-HUUCEWRRSA-N 1 0 409.512 -0.487 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[N@@H+]1C ZINC000554337059 1070072153 /nfs/dbraw/zinc/07/21/53/1070072153.db2.gz PLRYKUJNAJAMKU-LSDHHAIUSA-N 1 0 409.512 -0.487 20 0 HBADRO Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)nc1 ZINC000554342422 1070074786 /nfs/dbraw/zinc/07/47/86/1070074786.db2.gz CDHKIOFCHUWNPI-KRWDZBQOSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)nc1 ZINC000554342423 1070074299 /nfs/dbraw/zinc/07/42/99/1070074299.db2.gz CDHKIOFCHUWNPI-QGZVFWFLSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)n1 ZINC000554342511 1070074344 /nfs/dbraw/zinc/07/43/44/1070074344.db2.gz GQVDGFCCUXNQJG-DLBZAZTESA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)n1 ZINC000554342512 1070074684 /nfs/dbraw/zinc/07/46/84/1070074684.db2.gz GQVDGFCCUXNQJG-IAGOWNOFSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)n1 ZINC000554342513 1070075061 /nfs/dbraw/zinc/07/50/61/1070075061.db2.gz GQVDGFCCUXNQJG-IRXDYDNUSA-N 1 0 416.526 -0.071 20 0 HBADRO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)n1 ZINC000554342514 1070075112 /nfs/dbraw/zinc/07/51/12/1070075112.db2.gz GQVDGFCCUXNQJG-SJORKVTESA-N 1 0 416.526 -0.071 20 0 HBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)ncn1 ZINC000554342652 1070075168 /nfs/dbraw/zinc/07/51/68/1070075168.db2.gz CKONQLDHOGCNOQ-DLBZAZTESA-N 1 0 403.531 -0.514 20 0 HBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)ncn1 ZINC000554342653 1070074592 /nfs/dbraw/zinc/07/45/92/1070074592.db2.gz CKONQLDHOGCNOQ-IAGOWNOFSA-N 1 0 403.531 -0.514 20 0 HBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)ncn1 ZINC000554342654 1070074640 /nfs/dbraw/zinc/07/46/40/1070074640.db2.gz CKONQLDHOGCNOQ-IRXDYDNUSA-N 1 0 403.531 -0.514 20 0 HBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)ncn1 ZINC000554342655 1070074953 /nfs/dbraw/zinc/07/49/53/1070074953.db2.gz CKONQLDHOGCNOQ-SJORKVTESA-N 1 0 403.531 -0.514 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000554342672 1070074388 /nfs/dbraw/zinc/07/43/88/1070074388.db2.gz IIQDPYSGFRTLNO-DLBZAZTESA-N 1 0 405.474 -0.595 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000554342673 1070075217 /nfs/dbraw/zinc/07/52/17/1070075217.db2.gz IIQDPYSGFRTLNO-IAGOWNOFSA-N 1 0 405.474 -0.595 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000554342674 1070074894 /nfs/dbraw/zinc/07/48/94/1070074894.db2.gz IIQDPYSGFRTLNO-IRXDYDNUSA-N 1 0 405.474 -0.595 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000554342675 1070074731 /nfs/dbraw/zinc/07/47/31/1070074731.db2.gz IIQDPYSGFRTLNO-SJORKVTESA-N 1 0 405.474 -0.595 20 0 HBADRO Cc1cc(C(=O)NC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c(C)o1 ZINC000554342689 1070075011 /nfs/dbraw/zinc/07/50/11/1070075011.db2.gz IWXKQRZCVQAQRE-KRWDZBQOSA-N 1 0 419.526 -0.021 20 0 HBADRO Cc1cc(C(=O)NC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c(C)o1 ZINC000554342690 1070074842 /nfs/dbraw/zinc/07/48/42/1070074842.db2.gz IWXKQRZCVQAQRE-QGZVFWFLSA-N 1 0 419.526 -0.021 20 0 HBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c(C)o1 ZINC000554342814 1070074448 /nfs/dbraw/zinc/07/44/48/1070074448.db2.gz LEDFROGQUDZSOU-INIZCTEOSA-N 1 0 405.499 -0.457 20 0 HBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c(C)o1 ZINC000554342817 1070074189 /nfs/dbraw/zinc/07/41/89/1070074189.db2.gz LEDFROGQUDZSOU-MRXNPFEDSA-N 1 0 405.499 -0.457 20 0 HBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000554342873 1070073416 /nfs/dbraw/zinc/07/34/16/1070073416.db2.gz MSWCREYWHPWKMJ-INIZCTEOSA-N 1 0 404.515 -0.509 20 0 HBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000554342874 1070073291 /nfs/dbraw/zinc/07/32/91/1070073291.db2.gz MSWCREYWHPWKMJ-MRXNPFEDSA-N 1 0 404.515 -0.509 20 0 HBADRO CN1CCN([C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c2cccs2)CC1 ZINC000554342944 1070073870 /nfs/dbraw/zinc/07/38/70/1070073870.db2.gz IBRGOYNFEAKRBJ-DLBZAZTESA-N 1 0 422.599 -0.485 20 0 HBADRO CN1CCN([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c2cccs2)CC1 ZINC000554342946 1070073502 /nfs/dbraw/zinc/07/35/02/1070073502.db2.gz IBRGOYNFEAKRBJ-IAGOWNOFSA-N 1 0 422.599 -0.485 20 0 HBADRO CN1CCN([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c2cccs2)CC1 ZINC000554342948 1070073633 /nfs/dbraw/zinc/07/36/33/1070073633.db2.gz IBRGOYNFEAKRBJ-IRXDYDNUSA-N 1 0 422.599 -0.485 20 0 HBADRO CN1CCN([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c2cccs2)CC1 ZINC000554342950 1070073961 /nfs/dbraw/zinc/07/39/61/1070073961.db2.gz IBRGOYNFEAKRBJ-SJORKVTESA-N 1 0 422.599 -0.485 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000554343045 1070073361 /nfs/dbraw/zinc/07/33/61/1070073361.db2.gz JZLQADXPFAYJRG-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000554343046 1070073708 /nfs/dbraw/zinc/07/37/08/1070073708.db2.gz JZLQADXPFAYJRG-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000554343388 1070076189 /nfs/dbraw/zinc/07/61/89/1070076189.db2.gz UIIRSMCBOOKDKY-MSOLQXFVSA-N 1 0 401.511 -0.426 20 0 HBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000554343391 1070076331 /nfs/dbraw/zinc/07/63/31/1070076331.db2.gz UIIRSMCBOOKDKY-QZTJIDSGSA-N 1 0 401.511 -0.426 20 0 HBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000554343392 1070075836 /nfs/dbraw/zinc/07/58/36/1070075836.db2.gz UIIRSMCBOOKDKY-ROUUACIJSA-N 1 0 401.511 -0.426 20 0 HBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000554343394 1070075419 /nfs/dbraw/zinc/07/54/19/1070075419.db2.gz UIIRSMCBOOKDKY-ZWKOTPCHSA-N 1 0 401.511 -0.426 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000554343414 1070075929 /nfs/dbraw/zinc/07/59/29/1070075929.db2.gz PDSPSKPCNPFCLZ-HNNXBMFYSA-N 1 0 423.480 -0.538 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000554343420 1070075512 /nfs/dbraw/zinc/07/55/12/1070075512.db2.gz PDSPSKPCNPFCLZ-OAHLLOKOSA-N 1 0 423.480 -0.538 20 0 HBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554344375 1070075737 /nfs/dbraw/zinc/07/57/37/1070075737.db2.gz NWBGFMKNYRRVIC-FQEVSTJZSA-N 1 0 416.570 -0.371 20 0 HBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554344376 1070076106 /nfs/dbraw/zinc/07/61/06/1070076106.db2.gz NWBGFMKNYRRVIC-HXUWFJFHSA-N 1 0 416.570 -0.371 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000554344423 1070075471 /nfs/dbraw/zinc/07/54/71/1070075471.db2.gz QFHPDDZUSXOBPD-UHFFFAOYSA-N 1 0 407.490 -0.216 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000554344709 1070076039 /nfs/dbraw/zinc/07/60/39/1070076039.db2.gz WUXMJSFOCCUIDQ-KRWDZBQOSA-N 1 0 421.929 -0.014 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000554344710 1070076222 /nfs/dbraw/zinc/07/62/22/1070076222.db2.gz WUXMJSFOCCUIDQ-QGZVFWFLSA-N 1 0 421.929 -0.014 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000554344834 1070076273 /nfs/dbraw/zinc/07/62/73/1070076273.db2.gz ZIHFYMJBSJPQAA-AWEZNQCLSA-N 1 0 417.539 -0.298 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000554344835 1070075638 /nfs/dbraw/zinc/07/56/38/1070075638.db2.gz ZIHFYMJBSJPQAA-CQSZACIVSA-N 1 0 417.539 -0.298 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)C2)CC1 ZINC000554353778 1070072734 /nfs/dbraw/zinc/07/27/34/1070072734.db2.gz BRVZIJWHMZLFAC-AABGKKOBSA-N 1 0 421.586 -0.016 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)C2)CC1 ZINC000554353780 1070072935 /nfs/dbraw/zinc/07/29/35/1070072935.db2.gz BRVZIJWHMZLFAC-AQNXPRMDSA-N 1 0 421.586 -0.016 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)C2)CC1 ZINC000554353782 1070072657 /nfs/dbraw/zinc/07/26/57/1070072657.db2.gz BRVZIJWHMZLFAC-HSALFYBXSA-N 1 0 421.586 -0.016 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)C2)CC1 ZINC000554353784 1070072985 /nfs/dbraw/zinc/07/29/85/1070072985.db2.gz BRVZIJWHMZLFAC-VAMGGRTRSA-N 1 0 421.586 -0.016 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000554374575 1070078813 /nfs/dbraw/zinc/07/88/13/1070078813.db2.gz ZARJCGWDWLLSGV-GOSISDBHSA-N 1 0 403.593 -0.357 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000554392334 1070078948 /nfs/dbraw/zinc/07/89/48/1070078948.db2.gz MGBPDWWRPSQPCX-CHWSQXEVSA-N 1 0 408.421 -0.165 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000554392335 1070079461 /nfs/dbraw/zinc/07/94/61/1070079461.db2.gz MGBPDWWRPSQPCX-OLZOCXBDSA-N 1 0 408.421 -0.165 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000554392336 1070079372 /nfs/dbraw/zinc/07/93/72/1070079372.db2.gz MGBPDWWRPSQPCX-QWHCGFSZSA-N 1 0 408.421 -0.165 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000554392337 1070079549 /nfs/dbraw/zinc/07/95/49/1070079549.db2.gz MGBPDWWRPSQPCX-STQMWFEESA-N 1 0 408.421 -0.165 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC1=O ZINC000554393635 1070080174 /nfs/dbraw/zinc/08/01/74/1070080174.db2.gz WINOQCXNFUVGQV-KRWDZBQOSA-N 1 0 402.495 -0.004 20 0 HBADRO CN1C[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC1=O ZINC000554393636 1070080511 /nfs/dbraw/zinc/08/05/11/1070080511.db2.gz WINOQCXNFUVGQV-QGZVFWFLSA-N 1 0 402.495 -0.004 20 0 HBADRO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400448 1070081515 /nfs/dbraw/zinc/08/15/15/1070081515.db2.gz HKFMTBBKTCSRKY-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400449 1070081410 /nfs/dbraw/zinc/08/14/10/1070081410.db2.gz HKFMTBBKTCSRKY-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO C[NH+](C)CCCN1C(=O)C[C@H](N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400450 1070081321 /nfs/dbraw/zinc/08/13/21/1070081321.db2.gz HKFMTBBKTCSRKY-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO C[NH+](C)CCCN1C(=O)C[C@H](N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400451 1070081593 /nfs/dbraw/zinc/08/15/93/1070081593.db2.gz HKFMTBBKTCSRKY-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000554415424 1070082354 /nfs/dbraw/zinc/08/23/54/1070082354.db2.gz WFTJFSGPCNGGSY-CVEARBPZSA-N 1 0 418.560 -0.657 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000554415427 1070082202 /nfs/dbraw/zinc/08/22/02/1070082202.db2.gz WFTJFSGPCNGGSY-HOTGVXAUSA-N 1 0 418.560 -0.657 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000554415428 1070082071 /nfs/dbraw/zinc/08/20/71/1070082071.db2.gz WFTJFSGPCNGGSY-HZPDHXFCSA-N 1 0 418.560 -0.657 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000554415429 1070082255 /nfs/dbraw/zinc/08/22/55/1070082255.db2.gz WFTJFSGPCNGGSY-JKSUJKDBSA-N 1 0 418.560 -0.657 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000554418131 1070082766 /nfs/dbraw/zinc/08/27/66/1070082766.db2.gz SHUMZKWCOWZFOE-AWEZNQCLSA-N 1 0 418.585 -0.256 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000554418132 1070082860 /nfs/dbraw/zinc/08/28/60/1070082860.db2.gz SHUMZKWCOWZFOE-CQSZACIVSA-N 1 0 418.585 -0.256 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(S(=O)(=O)NC)CC2)CC1=O ZINC000554431986 1070084092 /nfs/dbraw/zinc/08/40/92/1070084092.db2.gz HVAITHAMEUSDME-CABCVRRESA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(S(=O)(=O)NC)CC2)CC1=O ZINC000554431987 1070083985 /nfs/dbraw/zinc/08/39/85/1070083985.db2.gz HVAITHAMEUSDME-GJZGRUSLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(S(=O)(=O)NC)CC2)CC1=O ZINC000554431988 1070084212 /nfs/dbraw/zinc/08/42/12/1070084212.db2.gz HVAITHAMEUSDME-HUUCEWRRSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(S(=O)(=O)NC)CC2)CC1=O ZINC000554431989 1070084020 /nfs/dbraw/zinc/08/40/20/1070084020.db2.gz HVAITHAMEUSDME-LSDHHAIUSA-N 1 0 400.545 -0.141 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000554432968 1070084143 /nfs/dbraw/zinc/08/41/43/1070084143.db2.gz MAJOOKVUDKYMQR-UJJTZGENSA-N 1 0 405.543 -0.119 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000554432969 1070083905 /nfs/dbraw/zinc/08/39/05/1070083905.db2.gz MAJOOKVUDKYMQR-WFFDWFOESA-N 1 0 405.543 -0.119 20 0 HBADRO CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000554434102 1070084515 /nfs/dbraw/zinc/08/45/15/1070084515.db2.gz CYNTVPXCESLBFW-INIZCTEOSA-N 1 0 421.542 -0.484 20 0 HBADRO CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000554434103 1070084860 /nfs/dbraw/zinc/08/48/60/1070084860.db2.gz CYNTVPXCESLBFW-MRXNPFEDSA-N 1 0 421.542 -0.484 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3(C(=O)N(C)C)CCCC3)C2)CC1 ZINC000554434644 1070084642 /nfs/dbraw/zinc/08/46/42/1070084642.db2.gz HUUHFRGATJGGIT-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3(C(=O)N(C)C)CCCC3)C2)CC1 ZINC000554434645 1070084447 /nfs/dbraw/zinc/08/44/47/1070084447.db2.gz HUUHFRGATJGGIT-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000554434994 1070084813 /nfs/dbraw/zinc/08/48/13/1070084813.db2.gz MKFKQNDMKPDLRD-KRWDZBQOSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000554434998 1070084501 /nfs/dbraw/zinc/08/45/01/1070084501.db2.gz MKFKQNDMKPDLRD-QGZVFWFLSA-N 1 0 407.559 -0.012 20 0 HBADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)o1 ZINC000554437541 1070083445 /nfs/dbraw/zinc/08/34/45/1070083445.db2.gz KMKCARDMSNTLIH-GOSISDBHSA-N 1 0 422.526 -0.006 20 0 HBADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)o1 ZINC000554437542 1070083570 /nfs/dbraw/zinc/08/35/70/1070083570.db2.gz KMKCARDMSNTLIH-SFHVURJKSA-N 1 0 422.526 -0.006 20 0 HBADRO COC(=O)[C@]1(C)CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000554438040 1070083235 /nfs/dbraw/zinc/08/32/35/1070083235.db2.gz WUWXAVXFQFFAGB-OXQOHEQNSA-N 1 0 412.531 -0.850 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000554440961 1070085613 /nfs/dbraw/zinc/08/56/13/1070085613.db2.gz JHDXIKMHQXDEGP-GOSISDBHSA-N 1 0 423.558 -0.630 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000554440962 1070085344 /nfs/dbraw/zinc/08/53/44/1070085344.db2.gz JHDXIKMHQXDEGP-SFHVURJKSA-N 1 0 423.558 -0.630 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000554460847 1070086259 /nfs/dbraw/zinc/08/62/59/1070086259.db2.gz CNRBQIATTFQPPJ-INIZCTEOSA-N 1 0 404.515 -0.190 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000554460853 1070086386 /nfs/dbraw/zinc/08/63/86/1070086386.db2.gz CNRBQIATTFQPPJ-MRXNPFEDSA-N 1 0 404.515 -0.190 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000554584808 1070094161 /nfs/dbraw/zinc/09/41/61/1070094161.db2.gz NVRZMOHOVQHAHZ-UHFFFAOYSA-N 1 0 401.489 -0.942 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC2)CC1 ZINC000554590388 1070093281 /nfs/dbraw/zinc/09/32/81/1070093281.db2.gz OGDJMRGQKHJCIF-HNNXBMFYSA-N 1 0 402.561 -0.447 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC2)CC1 ZINC000554590389 1070093458 /nfs/dbraw/zinc/09/34/58/1070093458.db2.gz OGDJMRGQKHJCIF-OAHLLOKOSA-N 1 0 402.561 -0.447 20 0 HBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000554621732 1070095081 /nfs/dbraw/zinc/09/50/81/1070095081.db2.gz CSMAIWBOGRKFOO-GOSISDBHSA-N 1 0 410.540 -0.302 20 0 HBADRO COC(=O)CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@@H]1CCCO1 ZINC000554622096 1070095298 /nfs/dbraw/zinc/09/52/98/1070095298.db2.gz MWQIBZZLPQSYQC-AWEZNQCLSA-N 1 0 407.471 -0.132 20 0 HBADRO COC(=O)CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@H]1CCCO1 ZINC000554622097 1070095497 /nfs/dbraw/zinc/09/54/97/1070095497.db2.gz MWQIBZZLPQSYQC-CQSZACIVSA-N 1 0 407.471 -0.132 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000554629625 1070097726 /nfs/dbraw/zinc/09/77/26/1070097726.db2.gz SDSUJKFSLMETQE-KRWDZBQOSA-N 1 0 423.539 -0.046 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000554629626 1070097912 /nfs/dbraw/zinc/09/79/12/1070097912.db2.gz SDSUJKFSLMETQE-QGZVFWFLSA-N 1 0 423.539 -0.046 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)NC)C3)cc2)CC1 ZINC000554632147 1070097947 /nfs/dbraw/zinc/09/79/47/1070097947.db2.gz KGIJGZXOQPJJAU-GOSISDBHSA-N 1 0 417.510 -0.264 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)NC)C3)cc2)CC1 ZINC000554632148 1070097861 /nfs/dbraw/zinc/09/78/61/1070097861.db2.gz KGIJGZXOQPJJAU-SFHVURJKSA-N 1 0 417.510 -0.264 20 0 HBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000554638140 1070096734 /nfs/dbraw/zinc/09/67/34/1070096734.db2.gz XPHOXZVAPIFQTN-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO C[C@@H](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCCCC1 ZINC000554640094 1070097171 /nfs/dbraw/zinc/09/71/71/1070097171.db2.gz DJTHJSIYKLDZPV-HNNXBMFYSA-N 1 0 407.515 -0.684 20 0 HBADRO C[C@H](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCCCC1 ZINC000554640095 1070097341 /nfs/dbraw/zinc/09/73/41/1070097341.db2.gz DJTHJSIYKLDZPV-OAHLLOKOSA-N 1 0 407.515 -0.684 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000554648654 1070099860 /nfs/dbraw/zinc/09/98/60/1070099860.db2.gz WMJXIDFDVDSQKQ-KRWDZBQOSA-N 1 0 417.510 -0.211 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000554648655 1070099621 /nfs/dbraw/zinc/09/96/21/1070099621.db2.gz WMJXIDFDVDSQKQ-QGZVFWFLSA-N 1 0 417.510 -0.211 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)C2=O)n(C)n1 ZINC000554651574 1070100789 /nfs/dbraw/zinc/10/07/89/1070100789.db2.gz TUBTWSGKIHGYDL-CVEARBPZSA-N 1 0 420.514 -0.433 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)C2=O)n(C)n1 ZINC000554651575 1070100657 /nfs/dbraw/zinc/10/06/57/1070100657.db2.gz TUBTWSGKIHGYDL-HOTGVXAUSA-N 1 0 420.514 -0.433 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)C2=O)n(C)n1 ZINC000554651576 1070100604 /nfs/dbraw/zinc/10/06/04/1070100604.db2.gz TUBTWSGKIHGYDL-HZPDHXFCSA-N 1 0 420.514 -0.433 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)C2=O)n(C)n1 ZINC000554651577 1070100737 /nfs/dbraw/zinc/10/07/37/1070100737.db2.gz TUBTWSGKIHGYDL-JKSUJKDBSA-N 1 0 420.514 -0.433 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000554653381 1070098116 /nfs/dbraw/zinc/09/81/16/1070098116.db2.gz WGNSMXXDXBVOAX-INIZCTEOSA-N 1 0 414.503 -0.086 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000554653382 1070098051 /nfs/dbraw/zinc/09/80/51/1070098051.db2.gz WGNSMXXDXBVOAX-MRXNPFEDSA-N 1 0 414.503 -0.086 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000554654076 1070098156 /nfs/dbraw/zinc/09/81/56/1070098156.db2.gz PMNZZVPDJOEPNW-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000554654077 1070097787 /nfs/dbraw/zinc/09/77/87/1070097787.db2.gz PMNZZVPDJOEPNW-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000554654677 1070098667 /nfs/dbraw/zinc/09/86/67/1070098667.db2.gz BMQBJMYCKBMVMM-GOSISDBHSA-N 1 0 424.542 -0.157 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000554654681 1070098518 /nfs/dbraw/zinc/09/85/18/1070098518.db2.gz BMQBJMYCKBMVMM-SFHVURJKSA-N 1 0 424.542 -0.157 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCC1 ZINC000554659922 1070102391 /nfs/dbraw/zinc/10/23/91/1070102391.db2.gz AFQYHIAHJIIZKQ-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000554662136 1070102448 /nfs/dbraw/zinc/10/24/48/1070102448.db2.gz KMYFUHYLNSBMAR-GOSISDBHSA-N 1 0 408.543 -0.072 20 0 HBADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000554662137 1070102330 /nfs/dbraw/zinc/10/23/30/1070102330.db2.gz KMYFUHYLNSBMAR-SFHVURJKSA-N 1 0 408.543 -0.072 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000554678387 1070105690 /nfs/dbraw/zinc/10/56/90/1070105690.db2.gz CLLWVSDMFMSPEK-KRWDZBQOSA-N 1 0 419.574 -0.011 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000554678388 1070105780 /nfs/dbraw/zinc/10/57/80/1070105780.db2.gz CLLWVSDMFMSPEK-QGZVFWFLSA-N 1 0 419.574 -0.011 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000554679224 1070105835 /nfs/dbraw/zinc/10/58/35/1070105835.db2.gz UOKITDCWHNWRBA-KRWDZBQOSA-N 1 0 405.547 -0.399 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000554679227 1070105924 /nfs/dbraw/zinc/10/59/24/1070105924.db2.gz UOKITDCWHNWRBA-QGZVFWFLSA-N 1 0 405.547 -0.399 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000554685203 1070104077 /nfs/dbraw/zinc/10/40/77/1070104077.db2.gz FVZUNBZHGIPIAX-UHFFFAOYSA-N 1 0 403.549 -0.649 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000554686030 1070103877 /nfs/dbraw/zinc/10/38/77/1070103877.db2.gz YLPMBMNPNJSFPY-IBGZPJMESA-N 1 0 424.523 -0.643 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000554686032 1070104120 /nfs/dbraw/zinc/10/41/20/1070104120.db2.gz YLPMBMNPNJSFPY-LJQANCHMSA-N 1 0 424.523 -0.643 20 0 HBADRO Cc1nc(N[C@@H]2CCCN(CCO)C2=O)cc(N[C@H]2CCCN(CCO)C2=O)[nH+]1 ZINC000554686700 1070108360 /nfs/dbraw/zinc/10/83/60/1070108360.db2.gz AULZFNABORIQAV-GASCZTMLSA-N 1 0 406.487 -0.425 20 0 HBADRO Cc1nc(N[C@H]2CCCN(CCO)C2=O)cc(N[C@H]2CCCN(CCO)C2=O)[nH+]1 ZINC000554686705 1070108668 /nfs/dbraw/zinc/10/86/68/1070108668.db2.gz AULZFNABORIQAV-GJZGRUSLSA-N 1 0 406.487 -0.425 20 0 HBADRO Cc1nc(N[C@@H]2CCCN(CCO)C2=O)cc(N[C@@H]2CCCN(CCO)C2=O)[nH+]1 ZINC000554686706 1070108584 /nfs/dbraw/zinc/10/85/84/1070108584.db2.gz AULZFNABORIQAV-HUUCEWRRSA-N 1 0 406.487 -0.425 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000554715387 1070111958 /nfs/dbraw/zinc/11/19/58/1070111958.db2.gz PMJHTTWMSOPQEG-BZSNNMDCSA-N 1 0 418.542 -0.001 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000554715393 1070111924 /nfs/dbraw/zinc/11/19/24/1070111924.db2.gz PMJHTTWMSOPQEG-KSZLIROESA-N 1 0 418.542 -0.001 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000554715394 1070111972 /nfs/dbraw/zinc/11/19/72/1070111972.db2.gz PMJHTTWMSOPQEG-OKZBNKHCSA-N 1 0 418.542 -0.001 20 0 HBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000554715396 1070111713 /nfs/dbraw/zinc/11/17/13/1070111713.db2.gz PMJHTTWMSOPQEG-RCCFBDPRSA-N 1 0 418.542 -0.001 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCN1CC(C)(C)O ZINC000554716167 1070114214 /nfs/dbraw/zinc/11/42/14/1070114214.db2.gz HZJTZMBYJIXSIB-INIZCTEOSA-N 1 0 421.542 -0.058 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCN1CC(C)(C)O ZINC000554716168 1070114253 /nfs/dbraw/zinc/11/42/53/1070114253.db2.gz HZJTZMBYJIXSIB-MRXNPFEDSA-N 1 0 421.542 -0.058 20 0 HBADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554720900 1070114271 /nfs/dbraw/zinc/11/42/71/1070114271.db2.gz FZNBENCYQMWWFY-OAHLLOKOSA-N 1 0 400.549 -0.074 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000554722965 1070114198 /nfs/dbraw/zinc/11/41/98/1070114198.db2.gz JSRFHBZGQRJPHJ-KRWDZBQOSA-N 1 0 411.576 -0.021 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000554722966 1070114164 /nfs/dbraw/zinc/11/41/64/1070114164.db2.gz JSRFHBZGQRJPHJ-QGZVFWFLSA-N 1 0 411.576 -0.021 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000554727375 1070112774 /nfs/dbraw/zinc/11/27/74/1070112774.db2.gz QPHOWGOSMHNRGO-INIZCTEOSA-N 1 0 418.560 -0.468 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000554727376 1070112760 /nfs/dbraw/zinc/11/27/60/1070112760.db2.gz QPHOWGOSMHNRGO-MRXNPFEDSA-N 1 0 418.560 -0.468 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000554728172 1070112710 /nfs/dbraw/zinc/11/27/10/1070112710.db2.gz NLDUVSJEMHWTBK-HNNXBMFYSA-N 1 0 406.483 -0.047 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000554728173 1070112743 /nfs/dbraw/zinc/11/27/43/1070112743.db2.gz NLDUVSJEMHWTBK-OAHLLOKOSA-N 1 0 406.483 -0.047 20 0 HBADRO COCCn1cc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cn1 ZINC000554755017 1070117976 /nfs/dbraw/zinc/11/79/76/1070117976.db2.gz HDANLIYKOUKBIK-UHFFFAOYSA-N 1 0 402.455 -0.102 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000554760834 1070118723 /nfs/dbraw/zinc/11/87/23/1070118723.db2.gz QOBQFCVNXXJYLG-NRFANRHFSA-N 1 0 424.542 -0.253 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000554760835 1070118807 /nfs/dbraw/zinc/11/88/07/1070118807.db2.gz QOBQFCVNXXJYLG-OAQYLSRUSA-N 1 0 424.542 -0.253 20 0 HBADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000554764510 1070119749 /nfs/dbraw/zinc/11/97/49/1070119749.db2.gz HCULKKQXRJTFKU-PMACEKPBSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000554764511 1070119589 /nfs/dbraw/zinc/11/95/89/1070119589.db2.gz HCULKKQXRJTFKU-UXHICEINSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000554764512 1070119414 /nfs/dbraw/zinc/11/94/14/1070119414.db2.gz HCULKKQXRJTFKU-VQTJNVASSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000554764513 1070119621 /nfs/dbraw/zinc/11/96/21/1070119621.db2.gz HCULKKQXRJTFKU-WOJBJXKFSA-N 1 0 416.522 -0.063 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)c1C ZINC000554766466 1070119562 /nfs/dbraw/zinc/11/95/62/1070119562.db2.gz YRLJLOPNCZCEJP-UHFFFAOYSA-N 1 0 413.544 -0.159 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2COc3ccccc32)cn1 ZINC000554771498 1070120553 /nfs/dbraw/zinc/12/05/53/1070120553.db2.gz DCOQFIFSAPVGGZ-AWEZNQCLSA-N 1 0 414.466 -0.208 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2COc3ccccc32)cn1 ZINC000554771499 1070120447 /nfs/dbraw/zinc/12/04/47/1070120447.db2.gz DCOQFIFSAPVGGZ-CQSZACIVSA-N 1 0 414.466 -0.208 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000554774380 1070121233 /nfs/dbraw/zinc/12/12/33/1070121233.db2.gz IMDWPMWLJWJGPL-HNNXBMFYSA-N 1 0 413.500 -0.657 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000554774381 1070121455 /nfs/dbraw/zinc/12/14/55/1070121455.db2.gz IMDWPMWLJWJGPL-OAHLLOKOSA-N 1 0 413.500 -0.657 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000554775890 1070121218 /nfs/dbraw/zinc/12/12/18/1070121218.db2.gz PCULXGQZKXMLSB-UHFFFAOYSA-N 1 0 413.500 -0.703 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000554776354 1070121332 /nfs/dbraw/zinc/12/13/32/1070121332.db2.gz WBXNQIGYHIRXRP-AWEZNQCLSA-N 1 0 413.500 -0.846 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000554776355 1070121196 /nfs/dbraw/zinc/12/11/96/1070121196.db2.gz WBXNQIGYHIRXRP-CQSZACIVSA-N 1 0 413.500 -0.846 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000554802501 1070125825 /nfs/dbraw/zinc/12/58/25/1070125825.db2.gz KPFQETRKMNGOGA-CABCVRRESA-N 1 0 421.523 -0.344 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000554802505 1070125624 /nfs/dbraw/zinc/12/56/24/1070125624.db2.gz KPFQETRKMNGOGA-GJZGRUSLSA-N 1 0 421.523 -0.344 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000554802507 1070125965 /nfs/dbraw/zinc/12/59/65/1070125965.db2.gz KPFQETRKMNGOGA-HUUCEWRRSA-N 1 0 421.523 -0.344 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000554802509 1070125899 /nfs/dbraw/zinc/12/58/99/1070125899.db2.gz KPFQETRKMNGOGA-LSDHHAIUSA-N 1 0 421.523 -0.344 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802753 1070123007 /nfs/dbraw/zinc/12/30/07/1070123007.db2.gz QANKHBGGNJCMNK-KBPBESRZSA-N 1 0 412.498 -0.247 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802754 1070122848 /nfs/dbraw/zinc/12/28/48/1070122848.db2.gz QANKHBGGNJCMNK-KGLIPLIRSA-N 1 0 412.498 -0.247 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802755 1070123169 /nfs/dbraw/zinc/12/31/69/1070123169.db2.gz QANKHBGGNJCMNK-UONOGXRCSA-N 1 0 412.498 -0.247 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802756 1070123228 /nfs/dbraw/zinc/12/32/28/1070123228.db2.gz QANKHBGGNJCMNK-ZIAGYGMSSA-N 1 0 412.498 -0.247 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803498 1070123913 /nfs/dbraw/zinc/12/39/13/1070123913.db2.gz MYUIWGHJADKOQW-DOTOQJQBSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803499 1070124103 /nfs/dbraw/zinc/12/41/03/1070124103.db2.gz MYUIWGHJADKOQW-NVXWUHKLSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803500 1070124049 /nfs/dbraw/zinc/12/40/49/1070124049.db2.gz MYUIWGHJADKOQW-RDJZCZTQSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803501 1070123956 /nfs/dbraw/zinc/12/39/56/1070123956.db2.gz MYUIWGHJADKOQW-WBVHZDCISA-N 1 0 405.543 -0.260 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000554809624 1070126530 /nfs/dbraw/zinc/12/65/30/1070126530.db2.gz XDCDAVITGFJKHF-DZGCQCFKSA-N 1 0 406.487 -0.541 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)n1 ZINC000554809625 1070126733 /nfs/dbraw/zinc/12/67/33/1070126733.db2.gz XDCDAVITGFJKHF-HIFRSBDPSA-N 1 0 406.487 -0.541 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)n1 ZINC000554809626 1070126802 /nfs/dbraw/zinc/12/68/02/1070126802.db2.gz XDCDAVITGFJKHF-UKRRQHHQSA-N 1 0 406.487 -0.541 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000554809627 1070126592 /nfs/dbraw/zinc/12/65/92/1070126592.db2.gz XDCDAVITGFJKHF-ZFWWWQNUSA-N 1 0 406.487 -0.541 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000554846310 1070128543 /nfs/dbraw/zinc/12/85/43/1070128543.db2.gz SCHZZNJMPYLVCS-CRWXNKLISA-N 1 0 405.455 -0.383 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000554846311 1070128238 /nfs/dbraw/zinc/12/82/38/1070128238.db2.gz SCHZZNJMPYLVCS-DGAVXFQQSA-N 1 0 405.455 -0.383 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000554846312 1070128352 /nfs/dbraw/zinc/12/83/52/1070128352.db2.gz SCHZZNJMPYLVCS-MQYQWHSLSA-N 1 0 405.455 -0.383 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)O1 ZINC000554846313 1070128624 /nfs/dbraw/zinc/12/86/24/1070128624.db2.gz SCHZZNJMPYLVCS-SYQHCUMBSA-N 1 0 405.455 -0.383 20 0 HBADRO C[NH+](C)C1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000554883610 1070138219 /nfs/dbraw/zinc/13/82/19/1070138219.db2.gz VABGHMFXAXEZBN-CYBMUJFWSA-N 1 0 416.525 -0.070 20 0 HBADRO C[NH+](C)C1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000554883611 1070138834 /nfs/dbraw/zinc/13/88/34/1070138834.db2.gz VABGHMFXAXEZBN-ZDUSSCGKSA-N 1 0 416.525 -0.070 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)C1=O ZINC000554895682 1070139619 /nfs/dbraw/zinc/13/96/19/1070139619.db2.gz LTLXFGYDEGFMAU-HNNXBMFYSA-N 1 0 408.503 -0.449 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)C1=O ZINC000554895694 1070139879 /nfs/dbraw/zinc/13/98/79/1070139879.db2.gz LTLXFGYDEGFMAU-OAHLLOKOSA-N 1 0 408.503 -0.449 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)c1=O ZINC000554898259 1070140405 /nfs/dbraw/zinc/14/04/05/1070140405.db2.gz LMTFXXPUNMMSQL-INIZCTEOSA-N 1 0 402.499 -0.438 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)c1=O ZINC000554898260 1070140739 /nfs/dbraw/zinc/14/07/39/1070140739.db2.gz LMTFXXPUNMMSQL-MRXNPFEDSA-N 1 0 402.499 -0.438 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000554898513 1070140559 /nfs/dbraw/zinc/14/05/59/1070140559.db2.gz ONNJPONLJRQFCW-CRAIPNDOSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000554898517 1070140439 /nfs/dbraw/zinc/14/04/39/1070140439.db2.gz ONNJPONLJRQFCW-MAUKXSAKSA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000554898518 1070140802 /nfs/dbraw/zinc/14/08/02/1070140802.db2.gz ONNJPONLJRQFCW-QAPCUYQASA-N 1 0 405.543 -0.069 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000554898519 1070140584 /nfs/dbraw/zinc/14/05/84/1070140584.db2.gz ONNJPONLJRQFCW-YJBOKZPZSA-N 1 0 405.543 -0.069 20 0 HBADRO CCNC(=O)NC(=O)CN1CCCC2(CCC[N@H+](CC(=O)NC(=O)NCC)C2)C1 ZINC000554946494 1070143838 /nfs/dbraw/zinc/14/38/38/1070143838.db2.gz KPOKNPCPOVPGIE-UHFFFAOYSA-N 1 0 410.519 -0.144 20 0 HBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000554967251 1070148496 /nfs/dbraw/zinc/14/84/96/1070148496.db2.gz RKIKTXBPWIOSRT-UHFFFAOYSA-N 1 0 422.529 -0.644 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000555029274 1070156643 /nfs/dbraw/zinc/15/66/43/1070156643.db2.gz KBEZAEVRIAHRJH-CYBMUJFWSA-N 1 0 400.501 -0.656 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000555029275 1070156763 /nfs/dbraw/zinc/15/67/63/1070156763.db2.gz KBEZAEVRIAHRJH-ZDUSSCGKSA-N 1 0 400.501 -0.656 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000555070402 1070164199 /nfs/dbraw/zinc/16/41/99/1070164199.db2.gz JJMIXRWZVZYCAM-UHFFFAOYSA-N 1 0 401.533 -0.303 20 0 HBADRO CC(=O)NCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1CCSCC1 ZINC000555074033 1070165272 /nfs/dbraw/zinc/16/52/72/1070165272.db2.gz LCXBFVQCARXQOQ-UHFFFAOYSA-N 1 0 408.590 -0.282 20 0 HBADRO CC(C)[N@H+](CCOCCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000555074808 1070165287 /nfs/dbraw/zinc/16/52/87/1070165287.db2.gz FFKBCWYMDKGCCJ-UHFFFAOYSA-N 1 0 405.503 -0.269 20 0 HBADRO Cc1nc(N(C)CC(=O)N2CCOCC2)cc(N(C)CC(=O)N2CCOCC2)[nH+]1 ZINC000555140754 1070174323 /nfs/dbraw/zinc/17/43/23/1070174323.db2.gz SDDYEDMVWLUTIP-UHFFFAOYSA-N 1 0 406.487 -0.625 20 0 HBADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000555167511 1070175092 /nfs/dbraw/zinc/17/50/92/1070175092.db2.gz FIWXLQGRQSRPCI-INIZCTEOSA-N 1 0 404.581 -0.466 20 0 HBADRO COCCN1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1=O ZINC000555283757 1070183055 /nfs/dbraw/zinc/18/30/55/1070183055.db2.gz ZVHDMMSJKBFSBR-UHFFFAOYSA-N 1 0 405.455 -0.210 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000555288810 1069627423 /nfs/dbraw/zinc/62/74/23/1069627423.db2.gz GDCSXTMKSGPBPB-CQSZACIVSA-N 1 0 407.471 0.106 20 0 HBADRO CNC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000555301844 1070185592 /nfs/dbraw/zinc/18/55/92/1070185592.db2.gz UHISGTQIDRCIDP-UHFFFAOYSA-N 1 0 416.482 -0.457 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](S(=O)(=O)NC)C3)c2)CC1 ZINC000555337032 1070191362 /nfs/dbraw/zinc/19/13/62/1070191362.db2.gz FNEGCORXVWAZTE-KRWDZBQOSA-N 1 0 423.539 -0.083 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](S(=O)(=O)NC)C3)c2)CC1 ZINC000555337033 1070191194 /nfs/dbraw/zinc/19/11/94/1070191194.db2.gz FNEGCORXVWAZTE-QGZVFWFLSA-N 1 0 423.539 -0.083 20 0 HBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCCO1 ZINC000555388855 1070194743 /nfs/dbraw/zinc/19/47/43/1070194743.db2.gz ISEKBQQRAONCKQ-CABCVRRESA-N 1 0 416.548 -0.164 20 0 HBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCCO1 ZINC000555388856 1070194647 /nfs/dbraw/zinc/19/46/47/1070194647.db2.gz ISEKBQQRAONCKQ-GJZGRUSLSA-N 1 0 416.548 -0.164 20 0 HBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCCO1 ZINC000555388857 1070194800 /nfs/dbraw/zinc/19/48/00/1070194800.db2.gz ISEKBQQRAONCKQ-HUUCEWRRSA-N 1 0 416.548 -0.164 20 0 HBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCCO1 ZINC000555388858 1070194712 /nfs/dbraw/zinc/19/47/12/1070194712.db2.gz ISEKBQQRAONCKQ-LSDHHAIUSA-N 1 0 416.548 -0.164 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC000555390043 1070194764 /nfs/dbraw/zinc/19/47/64/1070194764.db2.gz WGQVZJTZEPVNLT-JKSUJKDBSA-N 1 0 409.574 -0.217 20 0 HBADRO CNS(=O)(=O)C1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000555413639 1070198290 /nfs/dbraw/zinc/19/82/90/1070198290.db2.gz XPBRMANHZWNLCT-UHFFFAOYSA-N 1 0 407.562 -0.236 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000555416447 1070199832 /nfs/dbraw/zinc/19/98/32/1070199832.db2.gz STYRHGQMRVXUGN-UHFFFAOYSA-N 1 0 408.402 -0.311 20 0 HBADRO Cc1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c(N)n1 ZINC000555521160 1069696912 /nfs/dbraw/zinc/69/69/12/1069696912.db2.gz QYUXSMMFOWPFFT-AWEZNQCLSA-N 1 0 412.498 -0.056 20 0 HBADRO Cc1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c(N)n1 ZINC000555521161 1069697142 /nfs/dbraw/zinc/69/71/42/1069697142.db2.gz QYUXSMMFOWPFFT-CQSZACIVSA-N 1 0 412.498 -0.056 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000555566585 1070212810 /nfs/dbraw/zinc/21/28/10/1070212810.db2.gz MBJMVASUGUUSLV-AZUAARDMSA-N 1 0 418.538 -0.081 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000555566586 1070212913 /nfs/dbraw/zinc/21/29/13/1070212913.db2.gz MBJMVASUGUUSLV-ICSRJNTNSA-N 1 0 418.538 -0.081 20 0 HBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000555566587 1070212746 /nfs/dbraw/zinc/21/27/46/1070212746.db2.gz MBJMVASUGUUSLV-QUCCMNQESA-N 1 0 418.538 -0.081 20 0 HBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000555566588 1070213538 /nfs/dbraw/zinc/21/35/38/1070213538.db2.gz MBJMVASUGUUSLV-UYAOXDASSA-N 1 0 418.538 -0.081 20 0 HBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555566970 1070213501 /nfs/dbraw/zinc/21/35/01/1070213501.db2.gz XOPVWTPTKBQTGP-DOTOQJQBSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555566971 1070213305 /nfs/dbraw/zinc/21/33/05/1070213305.db2.gz XOPVWTPTKBQTGP-NVXWUHKLSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555566972 1070213433 /nfs/dbraw/zinc/21/34/33/1070213433.db2.gz XOPVWTPTKBQTGP-RDJZCZTQSA-N 1 0 405.499 -0.552 20 0 HBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555566973 1070213548 /nfs/dbraw/zinc/21/35/48/1070213548.db2.gz XOPVWTPTKBQTGP-WBVHZDCISA-N 1 0 405.499 -0.552 20 0 HBADRO CN(Cc1cnn(C)c1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555571146 1070212273 /nfs/dbraw/zinc/21/22/73/1070212273.db2.gz RHZBIOSVTSPZAU-UHFFFAOYSA-N 1 0 414.514 -0.113 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCc3nnc4ccccn43)ccn2)CC1 ZINC000555574238 1070213976 /nfs/dbraw/zinc/21/39/76/1070213976.db2.gz JBJMOQCWIWJSSS-UHFFFAOYSA-N 1 0 408.466 -0.191 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3nnc4ccccn43)cn2)CC1 ZINC000555574298 1070213809 /nfs/dbraw/zinc/21/38/09/1070213809.db2.gz KVIFLABBXNOYOI-UHFFFAOYSA-N 1 0 408.466 -0.191 20 0 HBADRO COCCn1nnc2c1CC[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000555574903 1070214620 /nfs/dbraw/zinc/21/46/20/1070214620.db2.gz URAYFDXWQIAGFF-UHFFFAOYSA-N 1 0 400.487 -0.189 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC[C@@H]3C[C@@H](C)O)cn2)CC1 ZINC000555575398 1070214503 /nfs/dbraw/zinc/21/45/03/1070214503.db2.gz JRGSSECTCXGQDX-AEFFLSMTSA-N 1 0 419.526 -0.162 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC[C@H]3C[C@H](C)O)cn2)CC1 ZINC000555575399 1070213927 /nfs/dbraw/zinc/21/39/27/1070213927.db2.gz JRGSSECTCXGQDX-FUHWJXTLSA-N 1 0 419.526 -0.162 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC[C@H]3C[C@@H](C)O)cn2)CC1 ZINC000555575401 1070214714 /nfs/dbraw/zinc/21/47/14/1070214714.db2.gz JRGSSECTCXGQDX-SJLPKXTDSA-N 1 0 419.526 -0.162 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOC[C@@H]3C[C@H](C)O)cn2)CC1 ZINC000555575402 1070214600 /nfs/dbraw/zinc/21/46/00/1070214600.db2.gz JRGSSECTCXGQDX-WMZOPIPTSA-N 1 0 419.526 -0.162 20 0 HBADRO O=C(CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)N1CCN(c2ncccn2)CC1 ZINC000555591541 1070215140 /nfs/dbraw/zinc/21/51/40/1070215140.db2.gz ZOMSKBNPRZPAMD-KRWDZBQOSA-N 1 0 400.487 -0.064 20 0 HBADRO O=C(CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)N1CCN(c2ncccn2)CC1 ZINC000555591542 1070215040 /nfs/dbraw/zinc/21/50/40/1070215040.db2.gz ZOMSKBNPRZPAMD-QGZVFWFLSA-N 1 0 400.487 -0.064 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC(C)(C)[NH2+]1 ZINC000555614218 1070216987 /nfs/dbraw/zinc/21/69/87/1070216987.db2.gz NOBQXGLMXONUJT-UHFFFAOYSA-N 1 0 415.516 -0.364 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000555614243 1070217091 /nfs/dbraw/zinc/21/70/91/1070217091.db2.gz PEKVXEQOMANCHG-UHFFFAOYSA-N 1 0 423.558 -0.585 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c1=O ZINC000555615140 1070217069 /nfs/dbraw/zinc/21/70/69/1070217069.db2.gz GUGVFPROHLFMBQ-UHFFFAOYSA-N 1 0 404.515 -0.146 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000555631505 1070223292 /nfs/dbraw/zinc/22/32/92/1070223292.db2.gz JIAIKTWCRDVXJK-UHFFFAOYSA-N 1 0 408.524 -0.129 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000555637029 1070222140 /nfs/dbraw/zinc/22/21/40/1070222140.db2.gz UEZYOQMQECBSPR-UHFFFAOYSA-N 1 0 401.489 -0.893 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000555639213 1070222506 /nfs/dbraw/zinc/22/25/06/1070222506.db2.gz YFKOGNQUNXXKEH-HNNXBMFYSA-N 1 0 404.533 -0.903 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000555639214 1070222544 /nfs/dbraw/zinc/22/25/44/1070222544.db2.gz YFKOGNQUNXXKEH-OAHLLOKOSA-N 1 0 404.533 -0.903 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCCC1 ZINC000555644623 1070223319 /nfs/dbraw/zinc/22/33/19/1070223319.db2.gz JNZWBPQFVSOFES-UHFFFAOYSA-N 1 0 415.516 -0.409 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCCCC1 ZINC000555645120 1070223422 /nfs/dbraw/zinc/22/34/22/1070223422.db2.gz QQMOOLIKSUSLBT-UHFFFAOYSA-N 1 0 420.601 -0.138 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[NH+]2CCCC2)cc1 ZINC000555645518 1070223258 /nfs/dbraw/zinc/22/32/58/1070223258.db2.gz GCAJJSBJYZSSIL-DLBZAZTESA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[NH+]2CCCC2)cc1 ZINC000555645519 1070223461 /nfs/dbraw/zinc/22/34/61/1070223461.db2.gz GCAJJSBJYZSSIL-IAGOWNOFSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[NH+]2CCCC2)cc1 ZINC000555645520 1070223238 /nfs/dbraw/zinc/22/32/38/1070223238.db2.gz GCAJJSBJYZSSIL-IRXDYDNUSA-N 1 0 404.467 -0.339 20 0 HBADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[NH+]2CCCC2)cc1 ZINC000555645521 1070223438 /nfs/dbraw/zinc/22/34/38/1070223438.db2.gz GCAJJSBJYZSSIL-SJORKVTESA-N 1 0 404.467 -0.339 20 0 HBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000555649334 1070223342 /nfs/dbraw/zinc/22/33/42/1070223342.db2.gz HDAVXNGISMTDHT-UHFFFAOYSA-N 1 0 419.592 -0.045 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000555660051 1070224589 /nfs/dbraw/zinc/22/45/89/1070224589.db2.gz CJUFMCADSKWBDC-INIZCTEOSA-N 1 0 423.495 -0.371 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000555660055 1070224510 /nfs/dbraw/zinc/22/45/10/1070224510.db2.gz CJUFMCADSKWBDC-MRXNPFEDSA-N 1 0 423.495 -0.371 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)C ZINC000555660673 1070224940 /nfs/dbraw/zinc/22/49/40/1070224940.db2.gz QQQUZNAZBHILCY-UHFFFAOYSA-N 1 0 408.590 -0.284 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000555661215 1070224915 /nfs/dbraw/zinc/22/49/15/1070224915.db2.gz UFDDUONIALXTGI-KRWDZBQOSA-N 1 0 415.494 -0.645 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000555661216 1070225049 /nfs/dbraw/zinc/22/50/49/1070225049.db2.gz UFDDUONIALXTGI-QGZVFWFLSA-N 1 0 415.494 -0.645 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCCCC1 ZINC000555661455 1070225026 /nfs/dbraw/zinc/22/50/26/1070225026.db2.gz FKDQJEZNNULYRE-UHFFFAOYSA-N 1 0 415.516 -0.409 20 0 HBADRO Cc1cc(C)n(CCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000555663279 1070225287 /nfs/dbraw/zinc/22/52/87/1070225287.db2.gz FSBUOHXDXAKXAX-UHFFFAOYSA-N 1 0 404.515 -0.227 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000555667221 1070226375 /nfs/dbraw/zinc/22/63/75/1070226375.db2.gz GLCMMLYMGCULNI-UHFFFAOYSA-N 1 0 424.523 -0.466 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000555668060 1070227365 /nfs/dbraw/zinc/22/73/65/1070227365.db2.gz LHQGOCYCDMMXDM-UHFFFAOYSA-N 1 0 413.522 -0.070 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CCO1 ZINC000555668846 1070227253 /nfs/dbraw/zinc/22/72/53/1070227253.db2.gz UWFQAMFNGOEZHA-AEFFLSMTSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CCO1 ZINC000555668851 1070227428 /nfs/dbraw/zinc/22/74/28/1070227428.db2.gz UWFQAMFNGOEZHA-FUHWJXTLSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CCO1 ZINC000555668852 1070227314 /nfs/dbraw/zinc/22/73/14/1070227314.db2.gz UWFQAMFNGOEZHA-SJLPKXTDSA-N 1 0 418.494 -0.078 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CCO1 ZINC000555668853 1070227161 /nfs/dbraw/zinc/22/71/61/1070227161.db2.gz UWFQAMFNGOEZHA-WMZOPIPTSA-N 1 0 418.494 -0.078 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000555669317 1070227285 /nfs/dbraw/zinc/22/72/85/1070227285.db2.gz NZURNCACPCJOIB-UHFFFAOYSA-N 1 0 409.575 -0.112 20 0 HBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000555673808 1070225735 /nfs/dbraw/zinc/22/57/35/1070225735.db2.gz WLKVJFORUXKXJJ-HNNXBMFYSA-N 1 0 404.533 -0.904 20 0 HBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000555673809 1070225866 /nfs/dbraw/zinc/22/58/66/1070225866.db2.gz WLKVJFORUXKXJJ-OAHLLOKOSA-N 1 0 404.533 -0.904 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000555676836 1070226331 /nfs/dbraw/zinc/22/63/31/1070226331.db2.gz KMVFXTAVOINWFA-MOPGFXCFSA-N 1 0 403.527 -0.634 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000555676837 1070226622 /nfs/dbraw/zinc/22/66/22/1070226622.db2.gz KMVFXTAVOINWFA-OALUTQOASA-N 1 0 403.527 -0.634 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000555676838 1070226415 /nfs/dbraw/zinc/22/64/15/1070226415.db2.gz KMVFXTAVOINWFA-RBUKOAKNSA-N 1 0 403.527 -0.634 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000555676839 1070226716 /nfs/dbraw/zinc/22/67/16/1070226716.db2.gz KMVFXTAVOINWFA-RTBURBONSA-N 1 0 403.527 -0.634 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)no1 ZINC000555678381 1069593279 /nfs/dbraw/zinc/59/32/79/1069593279.db2.gz YYYHQQAOEYAFGQ-UHFFFAOYSA-N 1 0 420.514 0.056 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1 ZINC000555681985 1070228703 /nfs/dbraw/zinc/22/87/03/1070228703.db2.gz SLJKCJRTORFKMF-UHFFFAOYSA-N 1 0 401.489 -0.799 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555688860 1070227914 /nfs/dbraw/zinc/22/79/14/1070227914.db2.gz XADIKGHXIREGLH-DLBZAZTESA-N 1 0 408.524 -0.083 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555688861 1070228093 /nfs/dbraw/zinc/22/80/93/1070228093.db2.gz XADIKGHXIREGLH-IAGOWNOFSA-N 1 0 408.524 -0.083 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1=O ZINC000555689841 1070228591 /nfs/dbraw/zinc/22/85/91/1070228591.db2.gz CGASORSMKWPQFJ-GOSISDBHSA-N 1 0 424.505 -0.180 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1=O ZINC000555689843 1070228544 /nfs/dbraw/zinc/22/85/44/1070228544.db2.gz CGASORSMKWPQFJ-SFHVURJKSA-N 1 0 424.505 -0.180 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](CO)O1 ZINC000555693861 1070228618 /nfs/dbraw/zinc/22/86/18/1070228618.db2.gz LLXKPCXBPXKFLB-HKUYNNGSSA-N 1 0 404.511 -0.471 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](CO)O1 ZINC000555693867 1070229196 /nfs/dbraw/zinc/22/91/96/1070229196.db2.gz LLXKPCXBPXKFLB-IEBWSBKVSA-N 1 0 404.511 -0.471 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](CO)O1 ZINC000555693871 1070229315 /nfs/dbraw/zinc/22/93/15/1070229315.db2.gz LLXKPCXBPXKFLB-MJGOQNOKSA-N 1 0 404.511 -0.471 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](CO)O1 ZINC000555693872 1070229407 /nfs/dbraw/zinc/22/94/07/1070229407.db2.gz LLXKPCXBPXKFLB-PKOBYXMFSA-N 1 0 404.511 -0.471 20 0 HBADRO NC(=O)c1ccc(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000555695418 1070229085 /nfs/dbraw/zinc/22/90/85/1070229085.db2.gz FGACSQWHXGLQDE-UHFFFAOYSA-N 1 0 424.505 -0.269 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000555695419 1070229430 /nfs/dbraw/zinc/22/94/30/1070229430.db2.gz FHVOOMOUBFCCNF-RTBURBONSA-N 1 0 413.522 -0.343 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)[NH+](C)C)c1 ZINC000555695673 1070229372 /nfs/dbraw/zinc/22/93/72/1070229372.db2.gz MAHZYMOOVJHROR-HKUYNNGSSA-N 1 0 422.526 -0.434 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)[NH+](C)C)c1 ZINC000555695676 1070229008 /nfs/dbraw/zinc/22/90/08/1070229008.db2.gz MAHZYMOOVJHROR-IEBWSBKVSA-N 1 0 422.526 -0.434 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)[NH+](C)C)c1 ZINC000555695677 1070229272 /nfs/dbraw/zinc/22/92/72/1070229272.db2.gz MAHZYMOOVJHROR-MJGOQNOKSA-N 1 0 422.526 -0.434 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)[NH+](C)C)c1 ZINC000555695680 1070229238 /nfs/dbraw/zinc/22/92/38/1070229238.db2.gz MAHZYMOOVJHROR-PKOBYXMFSA-N 1 0 422.526 -0.434 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000555695732 1070229296 /nfs/dbraw/zinc/22/92/96/1070229296.db2.gz HZIBCIMOQBFQEQ-UHFFFAOYSA-N 1 0 414.466 -0.676 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(CCO)C1CCOCC1 ZINC000555695993 1070229050 /nfs/dbraw/zinc/22/90/50/1070229050.db2.gz LPTRQLLHTRVCIE-UHFFFAOYSA-N 1 0 418.538 -0.080 20 0 HBADRO C[S@@](=O)C1(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000555696362 1070229354 /nfs/dbraw/zinc/22/93/54/1070229354.db2.gz PSTQPRQPWBCNTO-MUUNZHRXSA-N 1 0 406.552 -0.052 20 0 HBADRO C[S@](=O)C1(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000555696363 1070229147 /nfs/dbraw/zinc/22/91/47/1070229147.db2.gz PSTQPRQPWBCNTO-NDEPHWFRSA-N 1 0 406.552 -0.052 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000555697843 1070229942 /nfs/dbraw/zinc/22/99/42/1070229942.db2.gz ALFRPVSNUUBAAD-INIZCTEOSA-N 1 0 416.544 -0.760 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000555697844 1070230009 /nfs/dbraw/zinc/23/00/09/1070230009.db2.gz ALFRPVSNUUBAAD-MRXNPFEDSA-N 1 0 416.544 -0.760 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000555698175 1070229862 /nfs/dbraw/zinc/22/98/62/1070229862.db2.gz JVCYTJQJMJLMAZ-AWEZNQCLSA-N 1 0 400.487 -0.238 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000555698176 1070229801 /nfs/dbraw/zinc/22/98/01/1070229801.db2.gz JVCYTJQJMJLMAZ-CQSZACIVSA-N 1 0 400.487 -0.238 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)Cc1ccccc1 ZINC000555698181 1070229811 /nfs/dbraw/zinc/22/98/11/1070229811.db2.gz JXQFPORNMBZYCD-KRWDZBQOSA-N 1 0 403.527 -0.316 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)Cc1ccccc1 ZINC000555698182 1070229877 /nfs/dbraw/zinc/22/98/77/1070229877.db2.gz JXQFPORNMBZYCD-QGZVFWFLSA-N 1 0 403.527 -0.316 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000555698889 1070229929 /nfs/dbraw/zinc/22/99/29/1070229929.db2.gz TWGUDVONYQZTRP-UHFFFAOYSA-N 1 0 415.494 -0.525 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000555701662 1070229762 /nfs/dbraw/zinc/22/97/62/1070229762.db2.gz VJFDMAGPUHIETI-UHFFFAOYSA-N 1 0 409.512 -0.485 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000555703676 1070231627 /nfs/dbraw/zinc/23/16/27/1070231627.db2.gz JLYDGSMXROCCQS-DLBZAZTESA-N 1 0 424.523 -0.162 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000555703677 1070231424 /nfs/dbraw/zinc/23/14/24/1070231424.db2.gz JLYDGSMXROCCQS-IAGOWNOFSA-N 1 0 424.523 -0.162 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000555703678 1070231659 /nfs/dbraw/zinc/23/16/59/1070231659.db2.gz JLYDGSMXROCCQS-IRXDYDNUSA-N 1 0 424.523 -0.162 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000555703679 1070231537 /nfs/dbraw/zinc/23/15/37/1070231537.db2.gz JLYDGSMXROCCQS-SJORKVTESA-N 1 0 424.523 -0.162 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000555704031 1069615428 /nfs/dbraw/zinc/61/54/28/1069615428.db2.gz TWUSFHUPGSEVTL-UHFFFAOYSA-N 1 0 406.487 -0.334 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555705559 1070231689 /nfs/dbraw/zinc/23/16/89/1070231689.db2.gz LQSXVVDYDJNEJV-AWEZNQCLSA-N 1 0 405.499 -0.042 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555705566 1070231750 /nfs/dbraw/zinc/23/17/50/1070231750.db2.gz LQSXVVDYDJNEJV-CQSZACIVSA-N 1 0 405.499 -0.042 20 0 HBADRO O=C(NCCn1ccnc1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000555722597 1070232094 /nfs/dbraw/zinc/23/20/94/1070232094.db2.gz PHLKYYRSOKTYRL-UHFFFAOYSA-N 1 0 404.515 -0.160 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555722815 1070232834 /nfs/dbraw/zinc/23/28/34/1070232834.db2.gz QBUIGWNLLLLEIX-UHFFFAOYSA-N 1 0 406.531 -0.058 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000555727405 1070233029 /nfs/dbraw/zinc/23/30/29/1070233029.db2.gz ODZBDBCJPZPKCA-UHFFFAOYSA-N 1 0 412.512 -0.656 20 0 HBADRO O=C1CNC(=O)N1CCCN1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]2CCCC[C@H]21 ZINC000555727964 1070234337 /nfs/dbraw/zinc/23/43/37/1070234337.db2.gz CGYYQQYUXZYEKG-HZPDHXFCSA-N 1 0 420.514 -0.201 20 0 HBADRO CNS(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)NC)[C@@H]2CCCC[C@H]21 ZINC000555729161 1070234354 /nfs/dbraw/zinc/23/43/54/1070234354.db2.gz NTZDEUINMSFGST-HZPDHXFCSA-N 1 0 410.606 -0.206 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555729349 1070234313 /nfs/dbraw/zinc/23/43/13/1070234313.db2.gz UGPGBTHBTXTHHE-INIZCTEOSA-N 1 0 412.531 -0.445 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555729350 1070234290 /nfs/dbraw/zinc/23/42/90/1070234290.db2.gz UGPGBTHBTXTHHE-MRXNPFEDSA-N 1 0 412.531 -0.445 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555730285 1070233913 /nfs/dbraw/zinc/23/39/13/1070233913.db2.gz MLUIRCVGGCBWOE-KRWDZBQOSA-N 1 0 412.531 -0.397 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555730286 1070234040 /nfs/dbraw/zinc/23/40/40/1070234040.db2.gz MLUIRCVGGCBWOE-QGZVFWFLSA-N 1 0 412.531 -0.397 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000555730650 1070234259 /nfs/dbraw/zinc/23/42/59/1070234259.db2.gz KJAGAACFBFKWHY-AEFFLSMTSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000555730655 1070234150 /nfs/dbraw/zinc/23/41/50/1070234150.db2.gz KJAGAACFBFKWHY-FUHWJXTLSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000555730656 1070233972 /nfs/dbraw/zinc/23/39/72/1070233972.db2.gz KJAGAACFBFKWHY-SJLPKXTDSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000555730658 1070234071 /nfs/dbraw/zinc/23/40/71/1070234071.db2.gz KJAGAACFBFKWHY-WMZOPIPTSA-N 1 0 406.531 -0.022 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)S(C)(=O)=O ZINC000555731620 1070234201 /nfs/dbraw/zinc/23/42/01/1070234201.db2.gz ZLQOFSSANUDNBW-HNNXBMFYSA-N 1 0 406.549 -0.753 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)S(C)(=O)=O ZINC000555731628 1070234177 /nfs/dbraw/zinc/23/41/77/1070234177.db2.gz ZLQOFSSANUDNBW-OAHLLOKOSA-N 1 0 406.549 -0.753 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1 ZINC000555731991 1070235026 /nfs/dbraw/zinc/23/50/26/1070235026.db2.gz WTMJUVWTKPABGS-DLBZAZTESA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1 ZINC000555731992 1070234938 /nfs/dbraw/zinc/23/49/38/1070234938.db2.gz WTMJUVWTKPABGS-IAGOWNOFSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1 ZINC000555731994 1070234781 /nfs/dbraw/zinc/23/47/81/1070234781.db2.gz WTMJUVWTKPABGS-IRXDYDNUSA-N 1 0 406.531 -0.022 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1 ZINC000555731995 1070234966 /nfs/dbraw/zinc/23/49/66/1070234966.db2.gz WTMJUVWTKPABGS-SJORKVTESA-N 1 0 406.531 -0.022 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)ncn1 ZINC000555732732 1070235117 /nfs/dbraw/zinc/23/51/17/1070235117.db2.gz QOOQQEIASOQYSP-INIZCTEOSA-N 1 0 420.514 -0.393 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)ncn1 ZINC000555732735 1070234986 /nfs/dbraw/zinc/23/49/86/1070234986.db2.gz QOOQQEIASOQYSP-MRXNPFEDSA-N 1 0 420.514 -0.393 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000555733068 1070235007 /nfs/dbraw/zinc/23/50/07/1070235007.db2.gz VBHGFVYYOOYGEY-CABCVRRESA-N 1 0 408.503 -0.672 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000555733069 1070234915 /nfs/dbraw/zinc/23/49/15/1070234915.db2.gz VBHGFVYYOOYGEY-GJZGRUSLSA-N 1 0 408.503 -0.672 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000555733070 1070234894 /nfs/dbraw/zinc/23/48/94/1070234894.db2.gz VBHGFVYYOOYGEY-HUUCEWRRSA-N 1 0 408.503 -0.672 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000555733071 1070235059 /nfs/dbraw/zinc/23/50/59/1070235059.db2.gz VBHGFVYYOOYGEY-LSDHHAIUSA-N 1 0 408.503 -0.672 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555735625 1070235603 /nfs/dbraw/zinc/23/56/03/1070235603.db2.gz VWRFGJCOIWWYTO-DZGCQCFKSA-N 1 0 412.512 -0.262 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555735626 1070235662 /nfs/dbraw/zinc/23/56/62/1070235662.db2.gz VWRFGJCOIWWYTO-HIFRSBDPSA-N 1 0 412.512 -0.262 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555735627 1070235517 /nfs/dbraw/zinc/23/55/17/1070235517.db2.gz VWRFGJCOIWWYTO-UKRRQHHQSA-N 1 0 412.512 -0.262 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555735629 1070235488 /nfs/dbraw/zinc/23/54/88/1070235488.db2.gz VWRFGJCOIWWYTO-ZFWWWQNUSA-N 1 0 412.512 -0.262 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCCCC1 ZINC000555737273 1070233511 /nfs/dbraw/zinc/23/35/11/1070233511.db2.gz ZZUPZVSKTBSZNZ-UHFFFAOYSA-N 1 0 421.542 -0.293 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555737997 1070233423 /nfs/dbraw/zinc/23/34/23/1070233423.db2.gz DUSAOARVRSPLAY-CYBMUJFWSA-N 1 0 400.501 -0.452 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000555737998 1070233561 /nfs/dbraw/zinc/23/35/61/1070233561.db2.gz DUSAOARVRSPLAY-ZDUSSCGKSA-N 1 0 400.501 -0.452 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000555738589 1070233396 /nfs/dbraw/zinc/23/33/96/1070233396.db2.gz PFMBDWYTDAZYLP-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000555738735 1070233357 /nfs/dbraw/zinc/23/33/57/1070233357.db2.gz BRDINNQFIOLWIB-UHFFFAOYSA-N 1 0 404.515 -0.333 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000555738988 1070233523 /nfs/dbraw/zinc/23/35/23/1070233523.db2.gz SSRSYVHBIRACAR-HNNXBMFYSA-N 1 0 419.530 -0.320 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000555738991 1070233464 /nfs/dbraw/zinc/23/34/64/1070233464.db2.gz SSRSYVHBIRACAR-OAHLLOKOSA-N 1 0 419.530 -0.320 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000555741094 1070236193 /nfs/dbraw/zinc/23/61/93/1070236193.db2.gz RKALMDDQOIWGFZ-IBGZPJMESA-N 1 0 404.511 -0.028 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000555741095 1070236072 /nfs/dbraw/zinc/23/60/72/1070236072.db2.gz RKALMDDQOIWGFZ-LJQANCHMSA-N 1 0 404.511 -0.028 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)c1=O ZINC000555746663 1070236822 /nfs/dbraw/zinc/23/68/22/1070236822.db2.gz KIJPXYVTAHHRGM-UHFFFAOYSA-N 1 0 412.494 -0.193 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 ZINC000555747203 1069669978 /nfs/dbraw/zinc/66/99/78/1069669978.db2.gz SNPLAFQJNZCHHU-UHFFFAOYSA-N 1 0 403.512 0.147 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000555754096 1070237211 /nfs/dbraw/zinc/23/72/11/1070237211.db2.gz LODQSVWWAXERBQ-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)nc1 ZINC000555756832 1070237848 /nfs/dbraw/zinc/23/78/48/1070237848.db2.gz IQSDXEDOOHDYQI-UHFFFAOYSA-N 1 0 402.499 -0.179 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000555759464 1070237917 /nfs/dbraw/zinc/23/79/17/1070237917.db2.gz JWTXXCJEKSYWPR-CTNGQTDRSA-N 1 0 410.559 -0.045 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000555759465 1070237724 /nfs/dbraw/zinc/23/77/24/1070237724.db2.gz JWTXXCJEKSYWPR-FPOVZHCZSA-N 1 0 410.559 -0.045 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000555759466 1070237775 /nfs/dbraw/zinc/23/77/75/1070237775.db2.gz JWTXXCJEKSYWPR-PZJWPPBQSA-N 1 0 410.559 -0.045 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000555759467 1070237948 /nfs/dbraw/zinc/23/79/48/1070237948.db2.gz JWTXXCJEKSYWPR-TZIWHRDSSA-N 1 0 410.559 -0.045 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000555765882 1070238448 /nfs/dbraw/zinc/23/84/48/1070238448.db2.gz POJAINIXUMNPGM-DLBZAZTESA-N 1 0 410.515 -0.547 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000555765883 1070238333 /nfs/dbraw/zinc/23/83/33/1070238333.db2.gz POJAINIXUMNPGM-IAGOWNOFSA-N 1 0 410.515 -0.547 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000555765884 1070238291 /nfs/dbraw/zinc/23/82/91/1070238291.db2.gz POJAINIXUMNPGM-IRXDYDNUSA-N 1 0 410.515 -0.547 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000555765885 1070238488 /nfs/dbraw/zinc/23/84/88/1070238488.db2.gz POJAINIXUMNPGM-SJORKVTESA-N 1 0 410.515 -0.547 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)CC1 ZINC000555769040 1070238217 /nfs/dbraw/zinc/23/82/17/1070238217.db2.gz ZOMKVNUTHMXXRW-UHFFFAOYSA-N 1 0 404.496 -0.221 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)nnn1CCOc1ccc(F)cc1 ZINC000555818390 1070242047 /nfs/dbraw/zinc/24/20/47/1070242047.db2.gz KGUUWQFNMHHLOQ-AWEZNQCLSA-N 1 0 408.434 -0.218 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)nnn1CCOc1ccc(F)cc1 ZINC000555818391 1070242158 /nfs/dbraw/zinc/24/21/58/1070242158.db2.gz KGUUWQFNMHHLOQ-CQSZACIVSA-N 1 0 408.434 -0.218 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)o1 ZINC000555829258 1070242668 /nfs/dbraw/zinc/24/26/68/1070242668.db2.gz WIJCYDGYKQDYGH-DLBZAZTESA-N 1 0 407.515 -0.560 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)o1 ZINC000555829259 1070242779 /nfs/dbraw/zinc/24/27/79/1070242779.db2.gz WIJCYDGYKQDYGH-IAGOWNOFSA-N 1 0 407.515 -0.560 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)o1 ZINC000555829260 1070242639 /nfs/dbraw/zinc/24/26/39/1070242639.db2.gz WIJCYDGYKQDYGH-IRXDYDNUSA-N 1 0 407.515 -0.560 20 0 HBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)o1 ZINC000555829261 1070242760 /nfs/dbraw/zinc/24/27/60/1070242760.db2.gz WIJCYDGYKQDYGH-SJORKVTESA-N 1 0 407.515 -0.560 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCOCC1 ZINC000555854720 1070244364 /nfs/dbraw/zinc/24/43/64/1070244364.db2.gz BPTQHLQRGFNIRH-FQEVSTJZSA-N 1 0 423.602 -0.055 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCOCC1 ZINC000555854721 1070244512 /nfs/dbraw/zinc/24/45/12/1070244512.db2.gz BPTQHLQRGFNIRH-HXUWFJFHSA-N 1 0 423.602 -0.055 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000555856973 1070246338 /nfs/dbraw/zinc/24/63/38/1070246338.db2.gz BPXZOAVGQRLSDL-MOPGFXCFSA-N 1 0 411.591 -0.151 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000555856977 1070246191 /nfs/dbraw/zinc/24/61/91/1070246191.db2.gz BPXZOAVGQRLSDL-OALUTQOASA-N 1 0 411.591 -0.151 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000555856978 1070246102 /nfs/dbraw/zinc/24/61/02/1070246102.db2.gz BPXZOAVGQRLSDL-RBUKOAKNSA-N 1 0 411.591 -0.151 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000555856980 1070246222 /nfs/dbraw/zinc/24/62/22/1070246222.db2.gz BPXZOAVGQRLSDL-RTBURBONSA-N 1 0 411.591 -0.151 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000555861713 1070246676 /nfs/dbraw/zinc/24/66/76/1070246676.db2.gz AIFIVPPQJJSNDY-UHFFFAOYSA-N 1 0 417.558 -0.049 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)cn2)CC1 ZINC000555865483 1070245499 /nfs/dbraw/zinc/24/54/99/1070245499.db2.gz FSJGMZATWPDQRC-INIZCTEOSA-N 1 0 414.510 -0.233 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)cn2)CC1 ZINC000555865485 1070245633 /nfs/dbraw/zinc/24/56/33/1070245633.db2.gz FSJGMZATWPDQRC-MRXNPFEDSA-N 1 0 414.510 -0.233 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)cn2)CC1 ZINC000555865754 1070245664 /nfs/dbraw/zinc/24/56/64/1070245664.db2.gz NJOKAFHWDWMHCG-KRWDZBQOSA-N 1 0 415.416 -0.025 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)cn2)CC1 ZINC000555865755 1070245565 /nfs/dbraw/zinc/24/55/65/1070245565.db2.gz NJOKAFHWDWMHCG-QGZVFWFLSA-N 1 0 415.416 -0.025 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cnccn4)CC3)cn2)CC1 ZINC000555865823 1070245423 /nfs/dbraw/zinc/24/54/23/1070245423.db2.gz BGPWQEMZLBTDFC-UHFFFAOYSA-N 1 0 424.509 -0.412 20 0 HBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000555865984 1070245614 /nfs/dbraw/zinc/24/56/14/1070245614.db2.gz RIPYPHICDAGOCA-INIZCTEOSA-N 1 0 402.499 -0.423 20 0 HBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000555865987 1070245690 /nfs/dbraw/zinc/24/56/90/1070245690.db2.gz RIPYPHICDAGOCA-MRXNPFEDSA-N 1 0 402.499 -0.423 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cn2)CC1 ZINC000555866205 1070245397 /nfs/dbraw/zinc/24/53/97/1070245397.db2.gz IKAFEPKBAQRVBQ-HZPDHXFCSA-N 1 0 400.483 -0.813 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@@H]3CCCO3)cn2)CC1 ZINC000555866223 1070245462 /nfs/dbraw/zinc/24/54/62/1070245462.db2.gz BPIBHYVDHSDEHW-KRWDZBQOSA-N 1 0 405.499 -0.239 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@H]3CCCO3)cn2)CC1 ZINC000555866227 1070245531 /nfs/dbraw/zinc/24/55/31/1070245531.db2.gz BPIBHYVDHSDEHW-QGZVFWFLSA-N 1 0 405.499 -0.239 20 0 HBADRO COCCN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555866274 1070245583 /nfs/dbraw/zinc/24/55/83/1070245583.db2.gz DGCGYRATOXYLDQ-UHFFFAOYSA-N 1 0 404.515 -0.760 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCc3cccc(C(N)=O)c3)cn2)CC1 ZINC000555866595 1070246165 /nfs/dbraw/zinc/24/61/65/1070246165.db2.gz NFWOSARANWQVQR-UHFFFAOYSA-N 1 0 424.505 -0.093 20 0 HBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866924 1070247162 /nfs/dbraw/zinc/24/71/62/1070247162.db2.gz QHLOVEVXBCENFL-AWEZNQCLSA-N 1 0 411.528 -0.659 20 0 HBADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866926 1070248171 /nfs/dbraw/zinc/24/81/71/1070248171.db2.gz QHLOVEVXBCENFL-CQSZACIVSA-N 1 0 411.528 -0.659 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000555867037 1070247312 /nfs/dbraw/zinc/24/73/12/1070247312.db2.gz POWFQUXDHBNWRF-UHFFFAOYSA-N 1 0 416.526 -0.128 20 0 HBADRO COC(=O)C1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555867405 1070246044 /nfs/dbraw/zinc/24/60/44/1070246044.db2.gz VZIDLHGNBRVEBW-UHFFFAOYSA-N 1 0 403.483 -0.139 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)cn2)CC1 ZINC000555867603 1070246316 /nfs/dbraw/zinc/24/63/16/1070246316.db2.gz XGOHZJUXUNYAQC-NRFANRHFSA-N 1 0 414.510 -0.422 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)cn2)CC1 ZINC000555867605 1070246132 /nfs/dbraw/zinc/24/61/32/1070246132.db2.gz XGOHZJUXUNYAQC-OAQYLSRUSA-N 1 0 414.510 -0.422 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000555869107 1070246721 /nfs/dbraw/zinc/24/67/21/1070246721.db2.gz IVLZBLFOHHPRTP-BEFAXECRSA-N 1 0 404.515 -0.048 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000555869109 1070246644 /nfs/dbraw/zinc/24/66/44/1070246644.db2.gz IVLZBLFOHHPRTP-DNVCBOLYSA-N 1 0 404.515 -0.048 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000555869111 1070246805 /nfs/dbraw/zinc/24/68/05/1070246805.db2.gz IVLZBLFOHHPRTP-HNAYVOBHSA-N 1 0 404.515 -0.048 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000555869113 1070246701 /nfs/dbraw/zinc/24/67/01/1070246701.db2.gz IVLZBLFOHHPRTP-KXBFYZLASA-N 1 0 404.515 -0.048 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000555869302 1070248007 /nfs/dbraw/zinc/24/80/07/1070248007.db2.gz MDAFMFOKUBPPFQ-UHFFFAOYSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000555870345 1070246759 /nfs/dbraw/zinc/24/67/59/1070246759.db2.gz SUAQEHIOZFUOMV-UHFFFAOYSA-N 1 0 415.516 -0.553 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000555879469 1070248440 /nfs/dbraw/zinc/24/84/40/1070248440.db2.gz JZHDQELVAQSBBX-UHFFFAOYSA-N 1 0 407.496 -0.106 20 0 HBADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000555881553 1070248621 /nfs/dbraw/zinc/24/86/21/1070248621.db2.gz CPFRJBUSMFDLFV-UHFFFAOYSA-N 1 0 421.523 -0.343 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555885055 1070249639 /nfs/dbraw/zinc/24/96/39/1070249639.db2.gz KUAZENKEZHEPOS-INIZCTEOSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555885060 1070249712 /nfs/dbraw/zinc/24/97/12/1070249712.db2.gz KUAZENKEZHEPOS-MRXNPFEDSA-N 1 0 423.558 -0.585 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000555885187 1070249738 /nfs/dbraw/zinc/24/97/38/1070249738.db2.gz MWERBEQNDLHXAE-UHFFFAOYSA-N 1 0 400.501 -0.753 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555885775 1070249026 /nfs/dbraw/zinc/24/90/26/1070249026.db2.gz PIHLCIOGJYJLGD-UHFFFAOYSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000555887297 1070247989 /nfs/dbraw/zinc/24/79/89/1070247989.db2.gz AZIXLNUGBMQUMF-UHFFFAOYSA-N 1 0 400.483 -0.428 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1)N1CCCCC1 ZINC000555896203 1070252343 /nfs/dbraw/zinc/25/23/43/1070252343.db2.gz IHIXEUHTPHMFND-UHFFFAOYSA-N 1 0 405.543 -0.114 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000555897148 1070252448 /nfs/dbraw/zinc/25/24/48/1070252448.db2.gz BXOKPKLPDWDKLI-HNNXBMFYSA-N 1 0 412.512 -0.610 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000555897149 1070252128 /nfs/dbraw/zinc/25/21/28/1070252128.db2.gz BXOKPKLPDWDKLI-OAHLLOKOSA-N 1 0 412.512 -0.610 20 0 HBADRO CC(C)Nc1nc(NCCN2CCN(c3ccc(F)cc3)CC2)nc(NCCO)[nH+]1 ZINC000555902389 1070254026 /nfs/dbraw/zinc/25/40/26/1070254026.db2.gz WDTHBEYUTUWAPD-UHFFFAOYSA-N 1 0 418.521 -0.265 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000555907791 1070255220 /nfs/dbraw/zinc/25/52/20/1070255220.db2.gz CWWKHJXUOQNPBH-GOSISDBHSA-N 1 0 411.591 -0.008 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000555907792 1070255350 /nfs/dbraw/zinc/25/53/50/1070255350.db2.gz CWWKHJXUOQNPBH-SFHVURJKSA-N 1 0 411.591 -0.008 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000555915151 1070258552 /nfs/dbraw/zinc/25/85/52/1070258552.db2.gz BEXZNXIDMKLBOE-KRWDZBQOSA-N 1 0 415.542 -0.129 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000555915152 1070258698 /nfs/dbraw/zinc/25/86/98/1070258698.db2.gz BEXZNXIDMKLBOE-QGZVFWFLSA-N 1 0 415.542 -0.129 20 0 HBADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000555915197 1070258846 /nfs/dbraw/zinc/25/88/46/1070258846.db2.gz CPZUNGQXRKEKMT-GOSISDBHSA-N 1 0 417.558 -0.047 20 0 HBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000555915198 1070258989 /nfs/dbraw/zinc/25/89/89/1070258989.db2.gz CPZUNGQXRKEKMT-SFHVURJKSA-N 1 0 417.558 -0.047 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000555915300 1070258756 /nfs/dbraw/zinc/25/87/56/1070258756.db2.gz IDLPNRADKGDCAO-HNNXBMFYSA-N 1 0 423.514 -0.416 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000555915301 1070259037 /nfs/dbraw/zinc/25/90/37/1070259037.db2.gz IDLPNRADKGDCAO-OAHLLOKOSA-N 1 0 423.514 -0.416 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000555915319 1070258652 /nfs/dbraw/zinc/25/86/52/1070258652.db2.gz ISGANULRMQGGOX-UHFFFAOYSA-N 1 0 415.542 -0.061 20 0 HBADRO CN(C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555918306 1070260627 /nfs/dbraw/zinc/26/06/27/1070260627.db2.gz SWKOLBUHFFBAPS-GOSISDBHSA-N 1 0 415.542 -0.200 20 0 HBADRO CN(C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555918307 1070260855 /nfs/dbraw/zinc/26/08/55/1070260855.db2.gz SWKOLBUHFFBAPS-SFHVURJKSA-N 1 0 415.542 -0.200 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000555920006 1070256077 /nfs/dbraw/zinc/25/60/77/1070256077.db2.gz BZOPXNVXPPXQHR-GOSISDBHSA-N 1 0 417.558 -0.050 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NC1CCN(c2cccnn2)CC1)N1CC[NH+](C)CC1 ZINC000555920007 1070256235 /nfs/dbraw/zinc/25/62/35/1070256235.db2.gz BZOPXNVXPPXQHR-SFHVURJKSA-N 1 0 417.558 -0.050 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000555920016 1070256167 /nfs/dbraw/zinc/25/61/67/1070256167.db2.gz CGMBUZPHFFYOFZ-CVEARBPZSA-N 1 0 421.546 -0.756 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000555920017 1070256414 /nfs/dbraw/zinc/25/64/14/1070256414.db2.gz CGMBUZPHFFYOFZ-HOTGVXAUSA-N 1 0 421.546 -0.756 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000555920018 1070255955 /nfs/dbraw/zinc/25/59/55/1070255955.db2.gz CGMBUZPHFFYOFZ-HZPDHXFCSA-N 1 0 421.546 -0.756 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)CC2 ZINC000555920176 1070256042 /nfs/dbraw/zinc/25/60/42/1070256042.db2.gz CGMBUZPHFFYOFZ-JKSUJKDBSA-N 1 0 421.546 -0.756 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)N1CC[NH+](C)CC1 ZINC000555921447 1070257286 /nfs/dbraw/zinc/25/72/86/1070257286.db2.gz MYUZNQFLCRUYGP-GOSISDBHSA-N 1 0 405.547 -0.095 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)N1CC[NH+](C)CC1 ZINC000555921449 1070257093 /nfs/dbraw/zinc/25/70/93/1070257093.db2.gz MYUZNQFLCRUYGP-SFHVURJKSA-N 1 0 405.547 -0.095 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555921578 1070257391 /nfs/dbraw/zinc/25/73/91/1070257391.db2.gz MDVXLSRFBQAIIL-INIZCTEOSA-N 1 0 419.592 -0.838 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555921579 1070256851 /nfs/dbraw/zinc/25/68/51/1070256851.db2.gz MDVXLSRFBQAIIL-MRXNPFEDSA-N 1 0 419.592 -0.838 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000555921715 1070257254 /nfs/dbraw/zinc/25/72/54/1070257254.db2.gz ODUVMPPUJYHDLL-JYJNAYRXSA-N 1 0 404.577 -0.345 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000555921719 1070256784 /nfs/dbraw/zinc/25/67/84/1070256784.db2.gz ODUVMPPUJYHDLL-OAGGEKHMSA-N 1 0 404.577 -0.345 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000555921720 1070257428 /nfs/dbraw/zinc/25/74/28/1070257428.db2.gz ODUVMPPUJYHDLL-PMPSAXMXSA-N 1 0 404.577 -0.345 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000555921721 1070256761 /nfs/dbraw/zinc/25/67/61/1070256761.db2.gz ODUVMPPUJYHDLL-XHSDSOJGSA-N 1 0 404.577 -0.345 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000555922209 1070258150 /nfs/dbraw/zinc/25/81/50/1070258150.db2.gz RMYJOTRLFJMBJC-INIZCTEOSA-N 1 0 419.592 -0.838 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000555922211 1070257785 /nfs/dbraw/zinc/25/77/85/1070257785.db2.gz RMYJOTRLFJMBJC-MRXNPFEDSA-N 1 0 419.592 -0.838 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CC2)n1 ZINC000555922391 1070257016 /nfs/dbraw/zinc/25/70/16/1070257016.db2.gz PXPCTWVPONXJIO-GOSISDBHSA-N 1 0 417.558 -0.178 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)CC2)n1 ZINC000555922394 1070257994 /nfs/dbraw/zinc/25/79/94/1070257994.db2.gz PXPCTWVPONXJIO-SFHVURJKSA-N 1 0 417.558 -0.178 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)N1CC[NH+](C)CC1 ZINC000555922994 1070262855 /nfs/dbraw/zinc/26/28/55/1070262855.db2.gz XYEVKRBGIPONRB-GOSISDBHSA-N 1 0 405.547 -0.543 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)N1CC[NH+](C)CC1 ZINC000555922995 1070262558 /nfs/dbraw/zinc/26/25/58/1070262558.db2.gz XYEVKRBGIPONRB-SFHVURJKSA-N 1 0 405.547 -0.543 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)N1CC[NH+](C)CC1 ZINC000555923164 1070258056 /nfs/dbraw/zinc/25/80/56/1070258056.db2.gz ZLXOQLFIMLNRES-GOSISDBHSA-N 1 0 419.526 -0.445 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)N1CC[NH+](C)CC1 ZINC000555923165 1070257851 /nfs/dbraw/zinc/25/78/51/1070257851.db2.gz ZLXOQLFIMLNRES-SFHVURJKSA-N 1 0 419.526 -0.445 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000555923747 1070257934 /nfs/dbraw/zinc/25/79/34/1070257934.db2.gz KQKDJRVNLYVTPE-AWEZNQCLSA-N 1 0 406.487 -0.226 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000555923748 1070257763 /nfs/dbraw/zinc/25/77/63/1070257763.db2.gz KQKDJRVNLYVTPE-CQSZACIVSA-N 1 0 406.487 -0.226 20 0 HBADRO Cn1cnn(CCC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1=O ZINC000555958138 1070267427 /nfs/dbraw/zinc/26/74/27/1070267427.db2.gz DEESJMCEAXWARS-KRWDZBQOSA-N 1 0 400.483 -0.014 20 0 HBADRO Cn1cnn(CCC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1=O ZINC000555958139 1070267604 /nfs/dbraw/zinc/26/76/04/1070267604.db2.gz DEESJMCEAXWARS-QGZVFWFLSA-N 1 0 400.483 -0.014 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000555964623 1070267401 /nfs/dbraw/zinc/26/74/01/1070267401.db2.gz BWRQKULEIQCIDO-UHFFFAOYSA-N 1 0 410.540 -0.281 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000555965046 1070269501 /nfs/dbraw/zinc/26/95/01/1070269501.db2.gz HJKCWSFOHHROPW-UHFFFAOYSA-N 1 0 403.531 -0.343 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000555965646 1070268572 /nfs/dbraw/zinc/26/85/72/1070268572.db2.gz UBEFXMKNRIMPJN-MOPGFXCFSA-N 1 0 409.575 -0.112 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000555965647 1070268829 /nfs/dbraw/zinc/26/88/29/1070268829.db2.gz UBEFXMKNRIMPJN-OALUTQOASA-N 1 0 409.575 -0.112 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000555965648 1070268709 /nfs/dbraw/zinc/26/87/09/1070268709.db2.gz UBEFXMKNRIMPJN-RBUKOAKNSA-N 1 0 409.575 -0.112 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000555965649 1070268864 /nfs/dbraw/zinc/26/88/64/1070268864.db2.gz UBEFXMKNRIMPJN-RTBURBONSA-N 1 0 409.575 -0.112 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000555965679 1070268609 /nfs/dbraw/zinc/26/86/09/1070268609.db2.gz VHXPSXXGHUHRRC-IBGZPJMESA-N 1 0 409.575 -0.158 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000555965681 1070268981 /nfs/dbraw/zinc/26/89/81/1070268981.db2.gz VHXPSXXGHUHRRC-LJQANCHMSA-N 1 0 409.575 -0.158 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000555965687 1070268740 /nfs/dbraw/zinc/26/87/40/1070268740.db2.gz VLYRHHPKECBGJZ-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000555965691 1070268796 /nfs/dbraw/zinc/26/87/96/1070268796.db2.gz VLYRHHPKECBGJZ-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000555965692 1070268918 /nfs/dbraw/zinc/26/89/18/1070268918.db2.gz VLYRHHPKECBGJZ-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000555965693 1070268675 /nfs/dbraw/zinc/26/86/75/1070268675.db2.gz VLYRHHPKECBGJZ-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000555971140 1070270283 /nfs/dbraw/zinc/27/02/83/1070270283.db2.gz FXFFXNUBCICBKS-UHFFFAOYSA-N 1 0 420.510 -0.050 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000555972412 1070268042 /nfs/dbraw/zinc/26/80/42/1070268042.db2.gz YVEUWOMDQKVPLA-UHFFFAOYSA-N 1 0 406.483 -0.440 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000555975554 1070272565 /nfs/dbraw/zinc/27/25/65/1070272565.db2.gz AYDFGOHHUUBNCJ-UHFFFAOYSA-N 1 0 405.499 -0.294 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)on1 ZINC000555976425 1070272348 /nfs/dbraw/zinc/27/23/48/1070272348.db2.gz AVXLENVTAGFQLG-UHFFFAOYSA-N 1 0 406.531 -0.231 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000555982771 1070269913 /nfs/dbraw/zinc/26/99/13/1070269913.db2.gz JPBFXKCDCDPHDV-UHFFFAOYSA-N 1 0 420.510 -0.003 20 0 HBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000555983769 1070270292 /nfs/dbraw/zinc/27/02/92/1070270292.db2.gz DUQYHJRXJYAVCK-INIZCTEOSA-N 1 0 402.499 -0.423 20 0 HBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000555983770 1070270246 /nfs/dbraw/zinc/27/02/46/1070270246.db2.gz DUQYHJRXJYAVCK-MRXNPFEDSA-N 1 0 402.499 -0.423 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000555984276 1070270745 /nfs/dbraw/zinc/27/07/45/1070270745.db2.gz LGQMIOLCAZRWGH-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO CNC(=O)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000555985453 1070271255 /nfs/dbraw/zinc/27/12/55/1070271255.db2.gz WFZKGXFWWWCDPT-KRWDZBQOSA-N 1 0 417.510 -0.279 20 0 HBADRO CNC(=O)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000555985454 1070271219 /nfs/dbraw/zinc/27/12/19/1070271219.db2.gz WFZKGXFWWWCDPT-QGZVFWFLSA-N 1 0 417.510 -0.279 20 0 HBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555985775 1070271096 /nfs/dbraw/zinc/27/10/96/1070271096.db2.gz RTDYXTMTXDNYPE-INIZCTEOSA-N 1 0 404.515 -0.714 20 0 HBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555985777 1070271444 /nfs/dbraw/zinc/27/14/44/1070271444.db2.gz RTDYXTMTXDNYPE-MRXNPFEDSA-N 1 0 404.515 -0.714 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)ccn2)CC1 ZINC000555986094 1070273010 /nfs/dbraw/zinc/27/30/10/1070273010.db2.gz TZJWNCPLRQVAPA-UHFFFAOYSA-N 1 0 404.515 -0.272 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555986807 1070271960 /nfs/dbraw/zinc/27/19/60/1070271960.db2.gz HDCJEJRTKKTPEE-HNNXBMFYSA-N 1 0 417.510 -0.279 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555986808 1070271697 /nfs/dbraw/zinc/27/16/97/1070271697.db2.gz HDCJEJRTKKTPEE-OAHLLOKOSA-N 1 0 417.510 -0.279 20 0 HBADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555987367 1070273140 /nfs/dbraw/zinc/27/31/40/1070273140.db2.gz VSVZDRWXPIVFRC-UHFFFAOYSA-N 1 0 417.510 -0.277 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](S(C)(=O)=O)C3)ccn2)CC1 ZINC000555989667 1070273850 /nfs/dbraw/zinc/27/38/50/1070273850.db2.gz IWZVCHJAWAKOKY-INIZCTEOSA-N 1 0 423.539 -0.515 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)ccn2)CC1 ZINC000555989668 1070273522 /nfs/dbraw/zinc/27/35/22/1070273522.db2.gz IWZVCHJAWAKOKY-MRXNPFEDSA-N 1 0 423.539 -0.515 20 0 HBADRO CC(=O)N1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000555989996 1070273723 /nfs/dbraw/zinc/27/37/23/1070273723.db2.gz QGVFKZURTUHLKU-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1=O ZINC000555990105 1070273635 /nfs/dbraw/zinc/27/36/35/1070273635.db2.gz QRGVSNPDBQEJTD-HNNXBMFYSA-N 1 0 402.499 -0.471 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1=O ZINC000555990109 1070273887 /nfs/dbraw/zinc/27/38/87/1070273887.db2.gz QRGVSNPDBQEJTD-OAHLLOKOSA-N 1 0 402.499 -0.471 20 0 HBADRO CN(CCN1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555990526 1070273576 /nfs/dbraw/zinc/27/35/76/1070273576.db2.gz YUCFXIFHRJZLHU-UHFFFAOYSA-N 1 0 404.515 -0.760 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC3(N4CCOCC4)CC3)ccn2)CC1 ZINC000555991238 1070274309 /nfs/dbraw/zinc/27/43/09/1070274309.db2.gz OQOHKVFAEAZLEY-UHFFFAOYSA-N 1 0 416.526 -0.569 20 0 HBADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC000555992622 1070274534 /nfs/dbraw/zinc/27/45/34/1070274534.db2.gz JDHHANONFLSZFH-DAYGRLMNSA-N 1 0 418.494 -0.375 20 0 HBADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC000555992623 1070274285 /nfs/dbraw/zinc/27/42/85/1070274285.db2.gz JDHHANONFLSZFH-IIDMSEBBSA-N 1 0 418.494 -0.375 20 0 HBADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC000555992624 1070274335 /nfs/dbraw/zinc/27/43/35/1070274335.db2.gz JDHHANONFLSZFH-RKVPGOIHSA-N 1 0 418.494 -0.375 20 0 HBADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC000555992625 1070274502 /nfs/dbraw/zinc/27/45/02/1070274502.db2.gz JDHHANONFLSZFH-RVKKMQEKSA-N 1 0 418.494 -0.375 20 0 HBADRO COC(=O)C1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000555994548 1070274376 /nfs/dbraw/zinc/27/43/76/1070274376.db2.gz MOPYTXORLCDKME-UHFFFAOYSA-N 1 0 403.483 -0.139 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)ccn2)CC1 ZINC000555995242 1070274204 /nfs/dbraw/zinc/27/42/04/1070274204.db2.gz ZAQUYRPLBGMGAQ-INIZCTEOSA-N 1 0 417.514 -0.644 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)ccn2)CC1 ZINC000555995243 1070274406 /nfs/dbraw/zinc/27/44/06/1070274406.db2.gz ZAQUYRPLBGMGAQ-MRXNPFEDSA-N 1 0 417.514 -0.644 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000555996467 1070273162 /nfs/dbraw/zinc/27/31/62/1070273162.db2.gz MEURGPXSCFTEJE-UHFFFAOYSA-N 1 0 412.512 -0.653 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000555997897 1070275158 /nfs/dbraw/zinc/27/51/58/1070275158.db2.gz IQZNUBPSEFPKAO-INIZCTEOSA-N 1 0 406.483 -0.393 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000555997898 1070274960 /nfs/dbraw/zinc/27/49/60/1070274960.db2.gz IQZNUBPSEFPKAO-MRXNPFEDSA-N 1 0 406.483 -0.393 20 0 HBADRO CCN1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000555998268 1070275684 /nfs/dbraw/zinc/27/56/84/1070275684.db2.gz NXEWHKYXNHYMHV-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000556005075 1070274997 /nfs/dbraw/zinc/27/49/97/1070274997.db2.gz DSGOIMPKRLNTDG-IBGZPJMESA-N 1 0 404.511 -0.028 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000556005076 1070274857 /nfs/dbraw/zinc/27/48/57/1070274857.db2.gz DSGOIMPKRLNTDG-LJQANCHMSA-N 1 0 404.511 -0.028 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1(C)C ZINC000556005406 1070274229 /nfs/dbraw/zinc/27/42/29/1070274229.db2.gz GNQNJRCDXZGOFG-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000556006910 1070275229 /nfs/dbraw/zinc/27/52/29/1070275229.db2.gz XCVFHAWZOCVXPI-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000556015114 1070276131 /nfs/dbraw/zinc/27/61/31/1070276131.db2.gz JUWXUXYOICOKDH-KRWDZBQOSA-N 1 0 423.539 -0.298 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000556015115 1070276426 /nfs/dbraw/zinc/27/64/26/1070276426.db2.gz JUWXUXYOICOKDH-QGZVFWFLSA-N 1 0 423.539 -0.298 20 0 HBADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000556015856 1070276318 /nfs/dbraw/zinc/27/63/18/1070276318.db2.gz JJKCASOTPFEFGD-KRWDZBQOSA-N 1 0 408.524 -0.035 20 0 HBADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000556015857 1070276462 /nfs/dbraw/zinc/27/64/62/1070276462.db2.gz JJKCASOTPFEFGD-QGZVFWFLSA-N 1 0 408.524 -0.035 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1=O ZINC000556022372 1070277584 /nfs/dbraw/zinc/27/75/84/1070277584.db2.gz NXXBZWCXHHITEG-UHFFFAOYSA-N 1 0 416.526 -0.048 20 0 HBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000556032809 1070279366 /nfs/dbraw/zinc/27/93/66/1070279366.db2.gz RDGGQFAZQDYSMU-KRWDZBQOSA-N 1 0 406.483 -0.264 20 0 HBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000556032810 1070279312 /nfs/dbraw/zinc/27/93/12/1070279312.db2.gz RDGGQFAZQDYSMU-QGZVFWFLSA-N 1 0 406.483 -0.264 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000556051647 1070279849 /nfs/dbraw/zinc/27/98/49/1070279849.db2.gz GZJAKAJAQXQKIO-IBGZPJMESA-N 1 0 404.511 -0.028 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000556051649 1070280399 /nfs/dbraw/zinc/28/03/99/1070280399.db2.gz GZJAKAJAQXQKIO-LJQANCHMSA-N 1 0 404.511 -0.028 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)cn2)CC1 ZINC000556052119 1071860980 /nfs/dbraw/zinc/86/09/80/1071860980.db2.gz CCMIZHVLBGNAJY-NRFANRHFSA-N 1 0 417.510 -0.142 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)cn2)CC1 ZINC000556052121 1071860928 /nfs/dbraw/zinc/86/09/28/1071860928.db2.gz CCMIZHVLBGNAJY-OAQYLSRUSA-N 1 0 417.510 -0.142 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3COCCO3)cc2)CC1 ZINC000556052122 1071860795 /nfs/dbraw/zinc/86/07/95/1071860795.db2.gz CCZLQLHWXAARLK-IBGZPJMESA-N 1 0 404.511 -0.028 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000556052123 1071860584 /nfs/dbraw/zinc/86/05/84/1071860584.db2.gz CCZLQLHWXAARLK-LJQANCHMSA-N 1 0 404.511 -0.028 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](COC)C3)cn2)CC1 ZINC000556052445 1071860531 /nfs/dbraw/zinc/86/05/31/1071860531.db2.gz GZZSSEDCZGSMTP-KRWDZBQOSA-N 1 0 405.499 -0.287 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H](COC)C3)cn2)CC1 ZINC000556052446 1071860626 /nfs/dbraw/zinc/86/06/26/1071860626.db2.gz GZZSSEDCZGSMTP-QGZVFWFLSA-N 1 0 405.499 -0.287 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000556052865 1071860555 /nfs/dbraw/zinc/86/05/55/1071860555.db2.gz MAKDZOYBUDVLPC-GOSISDBHSA-N 1 0 417.510 -0.847 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000556052866 1071860763 /nfs/dbraw/zinc/86/07/63/1071860763.db2.gz MAKDZOYBUDVLPC-SFHVURJKSA-N 1 0 417.510 -0.847 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000556053615 1071861706 /nfs/dbraw/zinc/86/17/06/1071861706.db2.gz WDRNHIIPZKOENJ-GOSISDBHSA-N 1 0 417.510 -0.847 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000556053616 1071861727 /nfs/dbraw/zinc/86/17/27/1071861727.db2.gz WDRNHIIPZKOENJ-SFHVURJKSA-N 1 0 417.510 -0.847 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)Cn3cncn3)cn2)CC1 ZINC000556054079 1071861669 /nfs/dbraw/zinc/86/16/69/1071861669.db2.gz CKKDZYWGJOOLNF-HNNXBMFYSA-N 1 0 400.487 -0.364 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)Cn3cncn3)cn2)CC1 ZINC000556054085 1071861533 /nfs/dbraw/zinc/86/15/33/1071861533.db2.gz CKKDZYWGJOOLNF-OAHLLOKOSA-N 1 0 400.487 -0.364 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(CCO)C3CCOCC3)cn2)CC1 ZINC000556054367 1071861721 /nfs/dbraw/zinc/86/17/21/1071861721.db2.gz AZHMDDHZTWNQOQ-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)cn2)CC1 ZINC000556054441 1071861657 /nfs/dbraw/zinc/86/16/57/1071861657.db2.gz COMTZQVVSAEFCI-HNNXBMFYSA-N 1 0 402.499 -0.471 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)cn2)CC1 ZINC000556054443 1071861685 /nfs/dbraw/zinc/86/16/85/1071861685.db2.gz COMTZQVVSAEFCI-OAHLLOKOSA-N 1 0 402.499 -0.471 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCCN(C(C)=O)CC3)cn2)CC1 ZINC000556054464 1071861490 /nfs/dbraw/zinc/86/14/90/1071861490.db2.gz CZZKVCWBLWQRCR-UHFFFAOYSA-N 1 0 416.526 -0.080 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)CC3)CC2)no1 ZINC000556066329 1069593266 /nfs/dbraw/zinc/59/32/66/1069593266.db2.gz GQDWIKLHCZXHJK-UHFFFAOYSA-N 1 0 420.514 -0.086 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556069710 1071863020 /nfs/dbraw/zinc/86/30/20/1071863020.db2.gz DNIOEYWBFILZGK-KRWDZBQOSA-N 1 0 407.490 -0.175 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556069721 1071863562 /nfs/dbraw/zinc/86/35/62/1071863562.db2.gz DNIOEYWBFILZGK-QGZVFWFLSA-N 1 0 407.490 -0.175 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000556071036 1071864047 /nfs/dbraw/zinc/86/40/47/1071864047.db2.gz NQOXCQYJVVYPPP-GOSISDBHSA-N 1 0 419.501 -0.033 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000556071037 1071864239 /nfs/dbraw/zinc/86/42/39/1071864239.db2.gz NQOXCQYJVVYPPP-SFHVURJKSA-N 1 0 419.501 -0.033 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000556072270 1071864156 /nfs/dbraw/zinc/86/41/56/1071864156.db2.gz JEJGZMVEVHQHNQ-UHFFFAOYSA-N 1 0 414.514 -0.140 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072729 1071864099 /nfs/dbraw/zinc/86/40/99/1071864099.db2.gz PJEOEUARJLLNBA-KRWDZBQOSA-N 1 0 407.490 -0.175 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072730 1071864194 /nfs/dbraw/zinc/86/41/94/1071864194.db2.gz PJEOEUARJLLNBA-QGZVFWFLSA-N 1 0 407.490 -0.175 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000556074307 1071864679 /nfs/dbraw/zinc/86/46/79/1071864679.db2.gz CICVITZVCFMSAL-UHFFFAOYSA-N 1 0 416.526 -0.558 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000556074829 1071864897 /nfs/dbraw/zinc/86/48/97/1071864897.db2.gz LQQJIEYDPWFXRQ-UHFFFAOYSA-N 1 0 403.483 -0.521 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)CN3CCOCC3)cn2)CC1 ZINC000556074925 1071864617 /nfs/dbraw/zinc/86/46/17/1071864617.db2.gz OGOTXHBFQYRUGS-KRWDZBQOSA-N 1 0 418.542 -0.323 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)CN3CCOCC3)cn2)CC1 ZINC000556074926 1071864763 /nfs/dbraw/zinc/86/47/63/1071864763.db2.gz OGOTXHBFQYRUGS-QGZVFWFLSA-N 1 0 418.542 -0.323 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000556075822 1071865706 /nfs/dbraw/zinc/86/57/06/1071865706.db2.gz GFKWXTIEAWMZGO-UHFFFAOYSA-N 1 0 411.547 -0.774 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)cn2)CC1 ZINC000556076367 1071865731 /nfs/dbraw/zinc/86/57/31/1071865731.db2.gz QOFKKQQXMOOPTL-FQEVSTJZSA-N 1 0 402.499 -0.436 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)cn2)CC1 ZINC000556076368 1071865357 /nfs/dbraw/zinc/86/53/57/1071865357.db2.gz QOFKKQQXMOOPTL-HXUWFJFHSA-N 1 0 402.499 -0.436 20 0 HBADRO CN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556076576 1071865574 /nfs/dbraw/zinc/86/55/74/1071865574.db2.gz PWMJHZOOHUYEHQ-IBGZPJMESA-N 1 0 415.538 0.000 20 0 HBADRO CN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556076579 1071865482 /nfs/dbraw/zinc/86/54/82/1071865482.db2.gz PWMJHZOOHUYEHQ-LJQANCHMSA-N 1 0 415.538 0.000 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000556084290 1071871165 /nfs/dbraw/zinc/87/11/65/1071871165.db2.gz VPJHOMGMRBAIHG-HNNXBMFYSA-N 1 0 402.499 -0.323 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000556084297 1071871174 /nfs/dbraw/zinc/87/11/74/1071871174.db2.gz VPJHOMGMRBAIHG-OAHLLOKOSA-N 1 0 402.499 -0.323 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000556087084 1071867803 /nfs/dbraw/zinc/86/78/03/1071867803.db2.gz KKFONPAOVKZLTE-UHFFFAOYSA-N 1 0 405.499 -0.067 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000556087950 1071867762 /nfs/dbraw/zinc/86/77/62/1071867762.db2.gz HDTZTGZYUGHVLX-KRWDZBQOSA-N 1 0 402.499 -0.834 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000556087953 1071867652 /nfs/dbraw/zinc/86/76/52/1071867652.db2.gz HDTZTGZYUGHVLX-QGZVFWFLSA-N 1 0 402.499 -0.834 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000556088363 1071869214 /nfs/dbraw/zinc/86/92/14/1071869214.db2.gz NOYJRADXNCXCDK-MRXNPFEDSA-N 1 0 403.483 -0.502 20 0 HBADRO CN(C)c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556089126 1071869290 /nfs/dbraw/zinc/86/92/90/1071869290.db2.gz QERZVRUUFATKGM-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000556089199 1071873207 /nfs/dbraw/zinc/87/32/07/1071873207.db2.gz DRXLNVWVLVMXDO-MRVPVSSYSA-N 1 0 405.381 -0.022 20 0 HBADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000556089200 1071873152 /nfs/dbraw/zinc/87/31/52/1071873152.db2.gz DRXLNVWVLVMXDO-QMMMGPOBSA-N 1 0 405.381 -0.022 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556089743 1071869284 /nfs/dbraw/zinc/86/92/84/1071869284.db2.gz ZIIOUBPZUGOZND-AEFFLSMTSA-N 1 0 416.526 -0.588 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556089744 1071869305 /nfs/dbraw/zinc/86/93/05/1071869305.db2.gz ZIIOUBPZUGOZND-FUHWJXTLSA-N 1 0 416.526 -0.588 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556089745 1071869102 /nfs/dbraw/zinc/86/91/02/1071869102.db2.gz ZIIOUBPZUGOZND-SJLPKXTDSA-N 1 0 416.526 -0.588 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556089746 1071869021 /nfs/dbraw/zinc/86/90/21/1071869021.db2.gz ZIIOUBPZUGOZND-WMZOPIPTSA-N 1 0 416.526 -0.588 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000556095195 1071872245 /nfs/dbraw/zinc/87/22/45/1071872245.db2.gz GVICUOKBHDBNKG-INIZCTEOSA-N 1 0 404.515 -0.177 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000556095196 1071872345 /nfs/dbraw/zinc/87/23/45/1071872345.db2.gz GVICUOKBHDBNKG-MRXNPFEDSA-N 1 0 404.515 -0.177 20 0 HBADRO CC1CCC([NH+]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000556095562 1071872559 /nfs/dbraw/zinc/87/25/59/1071872559.db2.gz JJIIFCHQQXAMSJ-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000556095801 1071871812 /nfs/dbraw/zinc/87/18/12/1071871812.db2.gz LMMNDHKSKGFHOV-KRWDZBQOSA-N 1 0 407.490 -0.175 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000556095802 1071871740 /nfs/dbraw/zinc/87/17/40/1071871740.db2.gz LMMNDHKSKGFHOV-QGZVFWFLSA-N 1 0 407.490 -0.175 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000556098287 1071874032 /nfs/dbraw/zinc/87/40/32/1071874032.db2.gz NWWUWAPEOQJLAR-UHFFFAOYSA-N 1 0 404.515 -0.224 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556100324 1071874621 /nfs/dbraw/zinc/87/46/21/1071874621.db2.gz DIJZHDRRLUSSDA-GOSISDBHSA-N 1 0 403.527 -0.444 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556100325 1071874841 /nfs/dbraw/zinc/87/48/41/1071874841.db2.gz DIJZHDRRLUSSDA-SFHVURJKSA-N 1 0 403.527 -0.444 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101359 1071876395 /nfs/dbraw/zinc/87/63/95/1071876395.db2.gz QMYBXMSVHUVAAD-AZUAARDMSA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101363 1071876149 /nfs/dbraw/zinc/87/61/49/1071876149.db2.gz QMYBXMSVHUVAAD-ICSRJNTNSA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101365 1071876378 /nfs/dbraw/zinc/87/63/78/1071876378.db2.gz QMYBXMSVHUVAAD-QUCCMNQESA-N 1 0 417.554 -0.072 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556101366 1071876479 /nfs/dbraw/zinc/87/64/79/1071876479.db2.gz QMYBXMSVHUVAAD-UYAOXDASSA-N 1 0 417.554 -0.072 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000556102384 1071876245 /nfs/dbraw/zinc/87/62/45/1071876245.db2.gz CJDRLZCQACBZSK-MSOLQXFVSA-N 1 0 423.558 -0.849 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000556102385 1071877095 /nfs/dbraw/zinc/87/70/95/1071877095.db2.gz CJDRLZCQACBZSK-QZTJIDSGSA-N 1 0 423.558 -0.849 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000556102386 1071877047 /nfs/dbraw/zinc/87/70/47/1071877047.db2.gz CJDRLZCQACBZSK-ROUUACIJSA-N 1 0 423.558 -0.849 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000556102387 1071876913 /nfs/dbraw/zinc/87/69/13/1071876913.db2.gz CJDRLZCQACBZSK-ZWKOTPCHSA-N 1 0 423.558 -0.849 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000556107665 1071877500 /nfs/dbraw/zinc/87/75/00/1071877500.db2.gz JVFSJWXQJNYUDK-HNNXBMFYSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000556107666 1071877572 /nfs/dbraw/zinc/87/75/72/1071877572.db2.gz JVFSJWXQJNYUDK-OAHLLOKOSA-N 1 0 402.499 -0.180 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCn2ncnc2C1 ZINC000556113813 1071879457 /nfs/dbraw/zinc/87/94/57/1071879457.db2.gz NHLLIROYFKZLEK-UHFFFAOYSA-N 1 0 411.510 -0.056 20 0 HBADRO NC(=O)c1cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)on1 ZINC000556114426 1071880030 /nfs/dbraw/zinc/88/00/30/1071880030.db2.gz DCZWUWINMLRQHA-UHFFFAOYSA-N 1 0 414.466 -0.282 20 0 HBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000556115940 1071880779 /nfs/dbraw/zinc/88/07/79/1071880779.db2.gz WXHVVBUBDRXAAB-FQEVSTJZSA-N 1 0 415.538 -0.142 20 0 HBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000556115942 1071880846 /nfs/dbraw/zinc/88/08/46/1071880846.db2.gz WXHVVBUBDRXAAB-HXUWFJFHSA-N 1 0 415.538 -0.142 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000556124428 1071880184 /nfs/dbraw/zinc/88/01/84/1071880184.db2.gz GUOAQMJODPOVJG-FQEVSTJZSA-N 1 0 418.538 -0.298 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000556124430 1071880066 /nfs/dbraw/zinc/88/00/66/1071880066.db2.gz GUOAQMJODPOVJG-HXUWFJFHSA-N 1 0 418.538 -0.298 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556125156 1071879964 /nfs/dbraw/zinc/87/99/64/1071879964.db2.gz IZUJBJPKBMMONZ-UHFFFAOYSA-N 1 0 403.527 -0.095 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556126102 1071880275 /nfs/dbraw/zinc/88/02/75/1071880275.db2.gz CLLJNOKBGFBMAB-HOTGVXAUSA-N 1 0 402.561 -0.036 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556126103 1071880176 /nfs/dbraw/zinc/88/01/76/1071880176.db2.gz CLLJNOKBGFBMAB-HZPDHXFCSA-N 1 0 402.561 -0.036 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556126104 1071880126 /nfs/dbraw/zinc/88/01/26/1071880126.db2.gz CLLJNOKBGFBMAB-IYBDPMFKSA-N 1 0 402.561 -0.036 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccc(C(=O)NC)c3)C2)CC1 ZINC000556136120 1071882018 /nfs/dbraw/zinc/88/20/18/1071882018.db2.gz HIUPQXHKRLQMTQ-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccc(C(=O)NC)c3)C2)CC1 ZINC000556136121 1071881961 /nfs/dbraw/zinc/88/19/61/1071881961.db2.gz HIUPQXHKRLQMTQ-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CC1 ZINC000556141946 1071882711 /nfs/dbraw/zinc/88/27/11/1071882711.db2.gz UWKGLGSHVAWVGT-UHFFFAOYSA-N 1 0 403.483 -0.586 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556148845 1071883950 /nfs/dbraw/zinc/88/39/50/1071883950.db2.gz CXQBXLJZEZKRMD-MOPGFXCFSA-N 1 0 403.527 -0.462 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556148846 1071883715 /nfs/dbraw/zinc/88/37/15/1071883715.db2.gz CXQBXLJZEZKRMD-OALUTQOASA-N 1 0 403.527 -0.462 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556148848 1071884019 /nfs/dbraw/zinc/88/40/19/1071884019.db2.gz CXQBXLJZEZKRMD-RBUKOAKNSA-N 1 0 403.527 -0.462 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556148849 1071884205 /nfs/dbraw/zinc/88/42/05/1071884205.db2.gz CXQBXLJZEZKRMD-RTBURBONSA-N 1 0 403.527 -0.462 20 0 HBADRO COCCOc1ccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000556151700 1071884854 /nfs/dbraw/zinc/88/48/54/1071884854.db2.gz UPRQLTQHYQFPEP-UHFFFAOYSA-N 1 0 407.515 -0.135 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556166454 1071887356 /nfs/dbraw/zinc/88/73/56/1071887356.db2.gz BFXIEFGMCDFEAH-UHFFFAOYSA-N 1 0 418.498 -0.942 20 0 HBADRO CC[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000556167674 1071887804 /nfs/dbraw/zinc/88/78/04/1071887804.db2.gz QFSIZJVRYCMGBE-KRWDZBQOSA-N 1 0 411.547 -0.726 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000556167675 1071888153 /nfs/dbraw/zinc/88/81/53/1071888153.db2.gz QFSIZJVRYCMGBE-QGZVFWFLSA-N 1 0 411.547 -0.726 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556167860 1071887376 /nfs/dbraw/zinc/88/73/76/1071887376.db2.gz WOTKMKRQYOTRSK-GOSISDBHSA-N 1 0 423.558 -0.630 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556167861 1071887151 /nfs/dbraw/zinc/88/71/51/1071887151.db2.gz WOTKMKRQYOTRSK-SFHVURJKSA-N 1 0 423.558 -0.630 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)ncn1 ZINC000556168291 1071888188 /nfs/dbraw/zinc/88/81/88/1071888188.db2.gz KWHMLZLKMCTXRQ-UHFFFAOYSA-N 1 0 419.530 -0.722 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)n1 ZINC000556168477 1071888121 /nfs/dbraw/zinc/88/81/21/1071888121.db2.gz PYGIRIIEWNUAAC-UHFFFAOYSA-N 1 0 406.487 -0.638 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556168495 1071887781 /nfs/dbraw/zinc/88/77/81/1071887781.db2.gz QMIFGWKCWCRRIF-INIZCTEOSA-N 1 0 421.542 -0.293 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556168496 1071887879 /nfs/dbraw/zinc/88/78/79/1071887879.db2.gz QMIFGWKCWCRRIF-MRXNPFEDSA-N 1 0 421.542 -0.293 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556168817 1071887904 /nfs/dbraw/zinc/88/79/04/1071887904.db2.gz ZIOXTFRPICIART-GOSISDBHSA-N 1 0 424.590 -0.811 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556168818 1071888136 /nfs/dbraw/zinc/88/81/36/1071888136.db2.gz ZIOXTFRPICIART-SFHVURJKSA-N 1 0 424.590 -0.811 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000556170387 1071889316 /nfs/dbraw/zinc/88/93/16/1071889316.db2.gz IIKYKIMFXWNGSC-GOSISDBHSA-N 1 0 417.510 -0.083 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000556170388 1071889555 /nfs/dbraw/zinc/88/95/55/1071889555.db2.gz IIKYKIMFXWNGSC-SFHVURJKSA-N 1 0 417.510 -0.083 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000556170682 1071889293 /nfs/dbraw/zinc/88/92/93/1071889293.db2.gz MQFUXXKJXSDXFI-UHFFFAOYSA-N 1 0 402.543 -0.130 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000556171361 1071889421 /nfs/dbraw/zinc/88/94/21/1071889421.db2.gz TXOMXHGFTIQFGI-UHFFFAOYSA-N 1 0 423.558 -0.628 20 0 HBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000556172071 1071889573 /nfs/dbraw/zinc/88/95/73/1071889573.db2.gz XFINPIKZNQNZJE-INIZCTEOSA-N 1 0 417.576 -0.941 20 0 HBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000556172073 1071889204 /nfs/dbraw/zinc/88/92/04/1071889204.db2.gz XFINPIKZNQNZJE-MRXNPFEDSA-N 1 0 417.576 -0.941 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCNC(=O)[C@@H]3C)CC2)c1 ZINC000556172359 1071890070 /nfs/dbraw/zinc/89/00/70/1071890070.db2.gz KCZYUOIQFQXQGO-KRWDZBQOSA-N 1 0 401.511 -0.030 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCNC(=O)[C@H]3C)CC2)c1 ZINC000556172364 1071890157 /nfs/dbraw/zinc/89/01/57/1071890157.db2.gz KCZYUOIQFQXQGO-QGZVFWFLSA-N 1 0 401.511 -0.030 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000556173805 1071889985 /nfs/dbraw/zinc/88/99/85/1071889985.db2.gz AUAUWBZHFPLFKG-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000556174565 1071890207 /nfs/dbraw/zinc/89/02/07/1071890207.db2.gz NIOUDNVLJDOVQZ-UHFFFAOYSA-N 1 0 405.547 -0.412 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000556174684 1071890015 /nfs/dbraw/zinc/89/00/15/1071890015.db2.gz OGSSVVWYKXSKPN-UHFFFAOYSA-N 1 0 411.547 -0.774 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000556174880 1071890185 /nfs/dbraw/zinc/89/01/85/1071890185.db2.gz QNXDPNUKDHFRHT-UHFFFAOYSA-N 1 0 421.521 -0.202 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000556174934 1071890045 /nfs/dbraw/zinc/89/00/45/1071890045.db2.gz SFUFHTBFGAPNPT-UHFFFAOYSA-N 1 0 424.590 -0.857 20 0 HBADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000556175052 1071890173 /nfs/dbraw/zinc/89/01/73/1071890173.db2.gz IYAPANCTHNOZKX-INIZCTEOSA-N 1 0 421.542 -0.436 20 0 HBADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000556175057 1071889953 /nfs/dbraw/zinc/88/99/53/1071889953.db2.gz IYAPANCTHNOZKX-MRXNPFEDSA-N 1 0 421.542 -0.436 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556175087 1071890114 /nfs/dbraw/zinc/89/01/14/1071890114.db2.gz NIPVPSYPRURVTL-UHFFFAOYSA-N 1 0 417.558 -0.032 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000556176479 1071890820 /nfs/dbraw/zinc/89/08/20/1071890820.db2.gz YHKQAJFNFNKXPI-INIZCTEOSA-N 1 0 417.576 -0.940 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000556176480 1071890858 /nfs/dbraw/zinc/89/08/58/1071890858.db2.gz YHKQAJFNFNKXPI-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556176485 1071890660 /nfs/dbraw/zinc/89/06/60/1071890660.db2.gz YIJWJWBREGMTGZ-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000556181318 1069567519 /nfs/dbraw/zinc/56/75/19/1069567519.db2.gz KLUJBRAWLRMPRS-UHFFFAOYSA-N 1 0 420.495 -0.119 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1 ZINC000556181422 1069556588 /nfs/dbraw/zinc/55/65/88/1069556588.db2.gz RMBWYOZIMOMGCR-UHFFFAOYSA-N 1 0 402.455 0.455 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1C ZINC000556182129 1069567164 /nfs/dbraw/zinc/56/71/64/1069567164.db2.gz RLKUDBZQZUXDAD-UHFFFAOYSA-N 1 0 408.484 0.238 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000556193618 1071895299 /nfs/dbraw/zinc/89/52/99/1071895299.db2.gz KGYYTOQOGFLZHO-INIZCTEOSA-N 1 0 401.515 -0.519 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000556193622 1071895093 /nfs/dbraw/zinc/89/50/93/1071895093.db2.gz KGYYTOQOGFLZHO-MRXNPFEDSA-N 1 0 401.515 -0.519 20 0 HBADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000556193837 1071895189 /nfs/dbraw/zinc/89/51/89/1071895189.db2.gz QMFIURKNWDAYHF-DLBZAZTESA-N 1 0 403.531 -0.344 20 0 HBADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000556193843 1071895125 /nfs/dbraw/zinc/89/51/25/1071895125.db2.gz QMFIURKNWDAYHF-IAGOWNOFSA-N 1 0 403.531 -0.344 20 0 HBADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000556193845 1071895228 /nfs/dbraw/zinc/89/52/28/1071895228.db2.gz QMFIURKNWDAYHF-IRXDYDNUSA-N 1 0 403.531 -0.344 20 0 HBADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000556193852 1071895259 /nfs/dbraw/zinc/89/52/59/1071895259.db2.gz QMFIURKNWDAYHF-SJORKVTESA-N 1 0 403.531 -0.344 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000556197191 1071895920 /nfs/dbraw/zinc/89/59/20/1071895920.db2.gz KCNSWWSILFYWFF-GOSISDBHSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556197192 1071895689 /nfs/dbraw/zinc/89/56/89/1071895689.db2.gz KCNSWWSILFYWFF-SFHVURJKSA-N 1 0 415.542 -0.152 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000556197247 1071895672 /nfs/dbraw/zinc/89/56/72/1071895672.db2.gz MHNHVYPLFYVZGS-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556198061 1071896028 /nfs/dbraw/zinc/89/60/28/1071896028.db2.gz WHKNBHGZWLTHFI-MSOLQXFVSA-N 1 0 417.558 -0.049 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556198062 1071895957 /nfs/dbraw/zinc/89/59/57/1071895957.db2.gz WHKNBHGZWLTHFI-QZTJIDSGSA-N 1 0 417.558 -0.049 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556198063 1071895635 /nfs/dbraw/zinc/89/56/35/1071895635.db2.gz WHKNBHGZWLTHFI-ROUUACIJSA-N 1 0 417.558 -0.049 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556198064 1071895569 /nfs/dbraw/zinc/89/55/69/1071895569.db2.gz WHKNBHGZWLTHFI-ZWKOTPCHSA-N 1 0 417.558 -0.049 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000556199483 1071897902 /nfs/dbraw/zinc/89/79/02/1071897902.db2.gz NCWOGVNMZIJMJM-UHFFFAOYSA-N 1 0 403.531 -0.437 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000556199602 1071897789 /nfs/dbraw/zinc/89/77/89/1071897789.db2.gz QHHFXBHTHKJPNY-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000556203598 1071898564 /nfs/dbraw/zinc/89/85/64/1071898564.db2.gz TVOHRCCQBWRXBU-ALKREAHSSA-N 1 0 422.555 -0.108 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000556203599 1071899373 /nfs/dbraw/zinc/89/93/73/1071899373.db2.gz TVOHRCCQBWRXBU-SIXWZSSISA-N 1 0 422.555 -0.108 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCSC1 ZINC000556205411 1071897237 /nfs/dbraw/zinc/89/72/37/1071897237.db2.gz OWKRXHYXQWIRAD-FZMZJTMJSA-N 1 0 401.451 -0.326 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCSC1 ZINC000556205413 1071897324 /nfs/dbraw/zinc/89/73/24/1071897324.db2.gz OWKRXHYXQWIRAD-SMDDNHRTSA-N 1 0 401.451 -0.326 20 0 HBADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000556205546 1071897381 /nfs/dbraw/zinc/89/73/81/1071897381.db2.gz DMVHYZCUQSZWED-QIIPPGSGSA-N 1 0 408.528 -0.591 20 0 HBADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000556205550 1071897130 /nfs/dbraw/zinc/89/71/30/1071897130.db2.gz DMVHYZCUQSZWED-XUWXXGDYSA-N 1 0 408.528 -0.591 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556205905 1071897346 /nfs/dbraw/zinc/89/73/46/1071897346.db2.gz IENFKQPRPVMRHA-IBGZPJMESA-N 1 0 413.588 -0.353 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556205910 1071897270 /nfs/dbraw/zinc/89/72/70/1071897270.db2.gz IENFKQPRPVMRHA-LJQANCHMSA-N 1 0 413.588 -0.353 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCSC1 ZINC000556208543 1071899316 /nfs/dbraw/zinc/89/93/16/1071899316.db2.gz WABOVNBHLQOASU-HNNXBMFYSA-N 1 0 424.614 -0.965 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCSC1 ZINC000556208551 1071899132 /nfs/dbraw/zinc/89/91/32/1071899132.db2.gz WABOVNBHLQOASU-OAHLLOKOSA-N 1 0 424.614 -0.965 20 0 HBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556208894 1071899295 /nfs/dbraw/zinc/89/92/95/1071899295.db2.gz GNFVYJKFQZEIRA-UHFFFAOYSA-N 1 0 404.511 -0.256 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556209738 1071899213 /nfs/dbraw/zinc/89/92/13/1071899213.db2.gz XEGIWSLBQAFETF-KRWDZBQOSA-N 1 0 420.601 -0.140 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556209763 1071899246 /nfs/dbraw/zinc/89/92/46/1071899246.db2.gz XEGIWSLBQAFETF-QGZVFWFLSA-N 1 0 420.601 -0.140 20 0 HBADRO Cc1nc(NC(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000556231455 1069652677 /nfs/dbraw/zinc/65/26/77/1069652677.db2.gz WACYYCHXAPFVJZ-GOSISDBHSA-N 1 0 411.510 0.481 20 0 HBADRO Cc1nc(NC(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000556231462 1069652908 /nfs/dbraw/zinc/65/29/08/1069652908.db2.gz WACYYCHXAPFVJZ-SFHVURJKSA-N 1 0 411.510 0.481 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)n1 ZINC000556240962 1071901722 /nfs/dbraw/zinc/90/17/22/1071901722.db2.gz QHKYGPCSRARXIE-AWEZNQCLSA-N 1 0 406.487 -0.539 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)n1 ZINC000556240977 1071901626 /nfs/dbraw/zinc/90/16/26/1071901626.db2.gz QHKYGPCSRARXIE-CQSZACIVSA-N 1 0 406.487 -0.539 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1(C)C ZINC000556259749 1071903983 /nfs/dbraw/zinc/90/39/83/1071903983.db2.gz ILTOCKKDMFXWLH-UHFFFAOYSA-N 1 0 410.540 -0.281 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000556268992 1071905517 /nfs/dbraw/zinc/90/55/17/1071905517.db2.gz YRUPOTSXFMVDEX-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000556268993 1071905760 /nfs/dbraw/zinc/90/57/60/1071905760.db2.gz YRUPOTSXFMVDEX-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000556269208 1071905641 /nfs/dbraw/zinc/90/56/41/1071905641.db2.gz MBKVAFXGMTWBIL-UHFFFAOYSA-N 1 0 419.592 -0.741 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000556269410 1071906485 /nfs/dbraw/zinc/90/64/85/1071906485.db2.gz OWFKXTZTEYYVBZ-UHFFFAOYSA-N 1 0 420.576 -0.220 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000556269870 1071905715 /nfs/dbraw/zinc/90/57/15/1071905715.db2.gz UASCHHDRWWZCGR-UHFFFAOYSA-N 1 0 418.560 -0.465 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556269895 1071906420 /nfs/dbraw/zinc/90/64/20/1071906420.db2.gz VMLHFJPLVSTHER-GASCZTMLSA-N 1 0 406.549 -0.610 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000556269896 1071906511 /nfs/dbraw/zinc/90/65/11/1071906511.db2.gz VMLHFJPLVSTHER-GJZGRUSLSA-N 1 0 406.549 -0.610 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556269897 1071906301 /nfs/dbraw/zinc/90/63/01/1071906301.db2.gz VMLHFJPLVSTHER-HUUCEWRRSA-N 1 0 406.549 -0.610 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000556272473 1071906993 /nfs/dbraw/zinc/90/69/93/1071906993.db2.gz DWPGTVXENGSQEQ-UHFFFAOYSA-N 1 0 416.526 -0.355 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCc3c2cnn3C)CC1 ZINC000556287312 1071908741 /nfs/dbraw/zinc/90/87/41/1071908741.db2.gz JHXUYWJKQQDNFQ-INIZCTEOSA-N 1 0 404.515 -0.074 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 ZINC000556287313 1071908907 /nfs/dbraw/zinc/90/89/07/1071908907.db2.gz JHXUYWJKQQDNFQ-MRXNPFEDSA-N 1 0 404.515 -0.074 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556299125 1071909513 /nfs/dbraw/zinc/90/95/13/1071909513.db2.gz RROGFWIWFQYKJX-KRWDZBQOSA-N 1 0 408.524 -0.129 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556299127 1071909348 /nfs/dbraw/zinc/90/93/48/1071909348.db2.gz RROGFWIWFQYKJX-QGZVFWFLSA-N 1 0 408.524 -0.129 20 0 HBADRO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556299966 1071909387 /nfs/dbraw/zinc/90/93/87/1071909387.db2.gz NGEDVWRNBQCVKR-INIZCTEOSA-N 1 0 402.499 -0.320 20 0 HBADRO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556299967 1071909471 /nfs/dbraw/zinc/90/94/71/1071909471.db2.gz NGEDVWRNBQCVKR-MRXNPFEDSA-N 1 0 402.499 -0.320 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[NH+](C)C ZINC000556317597 1071913095 /nfs/dbraw/zinc/91/30/95/1071913095.db2.gz SNKZVSWDEVYGFN-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[NH+](C)C ZINC000556317598 1071913174 /nfs/dbraw/zinc/91/31/74/1071913174.db2.gz SNKZVSWDEVYGFN-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000556322335 1071913037 /nfs/dbraw/zinc/91/30/37/1071913037.db2.gz WSIRUMAVMLFIOD-KBXCAEBGSA-N 1 0 416.486 -0.548 20 0 HBADRO Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000556322342 1071913738 /nfs/dbraw/zinc/91/37/38/1071913738.db2.gz WSIRUMAVMLFIOD-KDOFPFPSSA-N 1 0 416.486 -0.548 20 0 HBADRO Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000556322344 1071913605 /nfs/dbraw/zinc/91/36/05/1071913605.db2.gz WSIRUMAVMLFIOD-KSSFIOAISA-N 1 0 416.486 -0.548 20 0 HBADRO Cn1nccc1[C@H]1[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000556322348 1071913731 /nfs/dbraw/zinc/91/37/31/1071913731.db2.gz WSIRUMAVMLFIOD-RDTXWAMCSA-N 1 0 416.486 -0.548 20 0 HBADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556332542 1071914863 /nfs/dbraw/zinc/91/48/63/1071914863.db2.gz UTOQSKFZWIFTNW-KRWDZBQOSA-N 1 0 404.515 -0.539 20 0 HBADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556332543 1071914697 /nfs/dbraw/zinc/91/46/97/1071914697.db2.gz UTOQSKFZWIFTNW-QGZVFWFLSA-N 1 0 404.515 -0.539 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000556347994 1071915947 /nfs/dbraw/zinc/91/59/47/1071915947.db2.gz HZCXFYQCOKIYKB-FGTMMUONSA-N 1 0 407.559 -0.107 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000556347996 1071915894 /nfs/dbraw/zinc/91/58/94/1071915894.db2.gz HZCXFYQCOKIYKB-KURKYZTESA-N 1 0 407.559 -0.107 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000556347998 1071915838 /nfs/dbraw/zinc/91/58/38/1071915838.db2.gz HZCXFYQCOKIYKB-KZNAEPCWSA-N 1 0 407.559 -0.107 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000556347999 1071915919 /nfs/dbraw/zinc/91/59/19/1071915919.db2.gz HZCXFYQCOKIYKB-SQNIBIBYSA-N 1 0 407.559 -0.107 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556354148 1071918918 /nfs/dbraw/zinc/91/89/18/1071918918.db2.gz HOQYEUAZJPRHGZ-INIZCTEOSA-N 1 0 411.547 -0.918 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556354151 1071918888 /nfs/dbraw/zinc/91/88/88/1071918888.db2.gz HOQYEUAZJPRHGZ-MRXNPFEDSA-N 1 0 411.547 -0.918 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000556354306 1071918983 /nfs/dbraw/zinc/91/89/83/1071918983.db2.gz FZTCYURHPIQOFA-INIZCTEOSA-N 1 0 404.515 -0.154 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000556354311 1071919153 /nfs/dbraw/zinc/91/91/53/1071919153.db2.gz FZTCYURHPIQOFA-MRXNPFEDSA-N 1 0 404.515 -0.154 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000556355259 1071919135 /nfs/dbraw/zinc/91/91/35/1071919135.db2.gz QFLKBUIDUHFESB-KRWDZBQOSA-N 1 0 419.526 -0.046 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000556355271 1071918964 /nfs/dbraw/zinc/91/89/64/1071918964.db2.gz QFLKBUIDUHFESB-QGZVFWFLSA-N 1 0 419.526 -0.046 20 0 HBADRO Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)n[nH]1 ZINC000556355394 1071916461 /nfs/dbraw/zinc/91/64/61/1071916461.db2.gz RFPRBFXCMXMQTQ-HNNXBMFYSA-N 1 0 405.547 -0.197 20 0 HBADRO Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n[nH]1 ZINC000556355396 1071917123 /nfs/dbraw/zinc/91/71/23/1071917123.db2.gz RFPRBFXCMXMQTQ-OAHLLOKOSA-N 1 0 405.547 -0.197 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000556355565 1071916487 /nfs/dbraw/zinc/91/64/87/1071916487.db2.gz DDIHIEGCHIOZGB-GOSISDBHSA-N 1 0 419.574 -0.546 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000556355569 1071916543 /nfs/dbraw/zinc/91/65/43/1071916543.db2.gz DDIHIEGCHIOZGB-SFHVURJKSA-N 1 0 419.574 -0.546 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000556355742 1071916500 /nfs/dbraw/zinc/91/65/00/1071916500.db2.gz FJYWEPPDWXLYGX-HNNXBMFYSA-N 1 0 408.503 -0.292 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)n1 ZINC000556355743 1071916340 /nfs/dbraw/zinc/91/63/40/1071916340.db2.gz FJYWEPPDWXLYGX-OAHLLOKOSA-N 1 0 408.503 -0.292 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556356531 1071917097 /nfs/dbraw/zinc/91/70/97/1071917097.db2.gz LJMUSNNJEZZYTL-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556356536 1071917158 /nfs/dbraw/zinc/91/71/58/1071917158.db2.gz LJMUSNNJEZZYTL-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000556356538 1071916990 /nfs/dbraw/zinc/91/69/90/1071916990.db2.gz LJMUSNNJEZZYTL-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000556356540 1071917251 /nfs/dbraw/zinc/91/72/51/1071917251.db2.gz LJMUSNNJEZZYTL-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCCC1 ZINC000556356856 1068354458 /nfs/dbraw/zinc/35/44/58/1068354458.db2.gz WQSOOCOSUUNEQR-INIZCTEOSA-N 1 0 423.539 -0.237 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCCC1 ZINC000556356857 1071916947 /nfs/dbraw/zinc/91/69/47/1071916947.db2.gz WQSOOCOSUUNEQR-MRXNPFEDSA-N 1 0 423.539 -0.237 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357021 1071917233 /nfs/dbraw/zinc/91/72/33/1071917233.db2.gz YEXYKNKNOBKHLP-DOTOQJQBSA-N 1 0 419.530 -0.969 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357023 1071917047 /nfs/dbraw/zinc/91/70/47/1071917047.db2.gz YEXYKNKNOBKHLP-NVXWUHKLSA-N 1 0 419.530 -0.969 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357024 1071916965 /nfs/dbraw/zinc/91/69/65/1071916965.db2.gz YEXYKNKNOBKHLP-RDJZCZTQSA-N 1 0 419.530 -0.969 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357025 1071917218 /nfs/dbraw/zinc/91/72/18/1071917218.db2.gz YEXYKNKNOBKHLP-WBVHZDCISA-N 1 0 419.530 -0.969 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000556357038 1071917255 /nfs/dbraw/zinc/91/72/55/1071917255.db2.gz YPWJVUOACSSLRS-KRWDZBQOSA-N 1 0 405.547 -0.542 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000556357039 1071917106 /nfs/dbraw/zinc/91/71/06/1071917106.db2.gz YPWJVUOACSSLRS-QGZVFWFLSA-N 1 0 405.547 -0.542 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000556357078 1071916998 /nfs/dbraw/zinc/91/69/98/1071916998.db2.gz ZROOCDYPPTXMNQ-GOSISDBHSA-N 1 0 411.591 -0.197 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000556357079 1071917186 /nfs/dbraw/zinc/91/71/86/1071917186.db2.gz ZROOCDYPPTXMNQ-SFHVURJKSA-N 1 0 411.591 -0.197 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361088 1071920204 /nfs/dbraw/zinc/92/02/04/1071920204.db2.gz DQQGHFCACIJJKK-DLBZAZTESA-N 1 0 421.523 -0.343 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361091 1071920702 /nfs/dbraw/zinc/92/07/02/1071920702.db2.gz DQQGHFCACIJJKK-IAGOWNOFSA-N 1 0 421.523 -0.343 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361096 1071920770 /nfs/dbraw/zinc/92/07/70/1071920770.db2.gz DQQGHFCACIJJKK-IRXDYDNUSA-N 1 0 421.523 -0.343 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361101 1071920914 /nfs/dbraw/zinc/92/09/14/1071920914.db2.gz DQQGHFCACIJJKK-SJORKVTESA-N 1 0 421.523 -0.343 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556361127 1071920826 /nfs/dbraw/zinc/92/08/26/1071920826.db2.gz DZLGECKVQWEHMR-MSOLQXFVSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556361131 1071920931 /nfs/dbraw/zinc/92/09/31/1071920931.db2.gz DZLGECKVQWEHMR-QZTJIDSGSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556361133 1071920883 /nfs/dbraw/zinc/92/08/83/1071920883.db2.gz DZLGECKVQWEHMR-ROUUACIJSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556361136 1071920977 /nfs/dbraw/zinc/92/09/77/1071920977.db2.gz DZLGECKVQWEHMR-ZWKOTPCHSA-N 1 0 415.542 -0.152 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556362199 1071921080 /nfs/dbraw/zinc/92/10/80/1071921080.db2.gz RVNGQNTVQGDZBN-INIZCTEOSA-N 1 0 404.515 -0.133 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556362202 1071920856 /nfs/dbraw/zinc/92/08/56/1071920856.db2.gz RVNGQNTVQGDZBN-MRXNPFEDSA-N 1 0 404.515 -0.133 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000556366317 1071919791 /nfs/dbraw/zinc/91/97/91/1071919791.db2.gz FVFFYBWGPCUODM-CVEARBPZSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000556366318 1071919612 /nfs/dbraw/zinc/91/96/12/1071919612.db2.gz FVFFYBWGPCUODM-HOTGVXAUSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000556366319 1071919714 /nfs/dbraw/zinc/91/97/14/1071919714.db2.gz FVFFYBWGPCUODM-HZPDHXFCSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000556366320 1071919626 /nfs/dbraw/zinc/91/96/26/1071919626.db2.gz FVFFYBWGPCUODM-JKSUJKDBSA-N 1 0 400.483 -0.428 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556367363 1071923364 /nfs/dbraw/zinc/92/33/64/1071923364.db2.gz ADMYZZCVPYADMJ-CVEARBPZSA-N 1 0 406.506 -0.085 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556367367 1071923303 /nfs/dbraw/zinc/92/33/03/1071923303.db2.gz ADMYZZCVPYADMJ-HOTGVXAUSA-N 1 0 406.506 -0.085 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556367368 1071923521 /nfs/dbraw/zinc/92/35/21/1071923521.db2.gz ADMYZZCVPYADMJ-HZPDHXFCSA-N 1 0 406.506 -0.085 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C[NH+]1CCN(C)CC1 ZINC000556367371 1071923456 /nfs/dbraw/zinc/92/34/56/1071923456.db2.gz ADMYZZCVPYADMJ-JKSUJKDBSA-N 1 0 406.506 -0.085 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C[NH+]1CCN(C)CC1 ZINC000556367888 1071923385 /nfs/dbraw/zinc/92/33/85/1071923385.db2.gz HAVWURLXZMPGFZ-CVEARBPZSA-N 1 0 419.530 -0.969 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C[NH+]1CCN(C)CC1 ZINC000556367890 1071923321 /nfs/dbraw/zinc/92/33/21/1071923321.db2.gz HAVWURLXZMPGFZ-HOTGVXAUSA-N 1 0 419.530 -0.969 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C[NH+]1CCN(C)CC1 ZINC000556367892 1071923546 /nfs/dbraw/zinc/92/35/46/1071923546.db2.gz HAVWURLXZMPGFZ-HZPDHXFCSA-N 1 0 419.530 -0.969 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C[NH+]1CCN(C)CC1 ZINC000556367894 1071923332 /nfs/dbraw/zinc/92/33/32/1071923332.db2.gz HAVWURLXZMPGFZ-JKSUJKDBSA-N 1 0 419.530 -0.969 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556368239 1071919729 /nfs/dbraw/zinc/91/97/29/1071919729.db2.gz ATAYEYDCJLNGTA-KRWDZBQOSA-N 1 0 417.558 -0.177 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556368241 1071920216 /nfs/dbraw/zinc/92/02/16/1071920216.db2.gz ATAYEYDCJLNGTA-QGZVFWFLSA-N 1 0 417.558 -0.177 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556368562 1071922179 /nfs/dbraw/zinc/92/21/79/1071922179.db2.gz DPNQDBWNXZZFNB-KRWDZBQOSA-N 1 0 403.531 -0.485 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556368563 1071922102 /nfs/dbraw/zinc/92/21/02/1071922102.db2.gz DPNQDBWNXZZFNB-QGZVFWFLSA-N 1 0 403.531 -0.485 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556369415 1071922670 /nfs/dbraw/zinc/92/26/70/1071922670.db2.gz IRPNYRZOLPDWCK-GOSISDBHSA-N 1 0 415.538 -0.029 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556369416 1071922588 /nfs/dbraw/zinc/92/25/88/1071922588.db2.gz IRPNYRZOLPDWCK-SFHVURJKSA-N 1 0 415.538 -0.029 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000556369575 1071922233 /nfs/dbraw/zinc/92/22/33/1071922233.db2.gz TYQXGEDZQDMUGA-CABCVRRESA-N 1 0 407.481 -0.014 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000556369577 1071922025 /nfs/dbraw/zinc/92/20/25/1071922025.db2.gz TYQXGEDZQDMUGA-GJZGRUSLSA-N 1 0 407.481 -0.014 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000556369578 1071922208 /nfs/dbraw/zinc/92/22/08/1071922208.db2.gz TYQXGEDZQDMUGA-HUUCEWRRSA-N 1 0 407.481 -0.014 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000556369579 1071922153 /nfs/dbraw/zinc/92/21/53/1071922153.db2.gz TYQXGEDZQDMUGA-LSDHHAIUSA-N 1 0 407.481 -0.014 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000556369615 1071922217 /nfs/dbraw/zinc/92/22/17/1071922217.db2.gz JJPXJUBCFZWLEW-GOSISDBHSA-N 1 0 411.591 -0.055 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000556369616 1071922194 /nfs/dbraw/zinc/92/21/94/1071922194.db2.gz JJPXJUBCFZWLEW-SFHVURJKSA-N 1 0 411.591 -0.055 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556370622 1071922710 /nfs/dbraw/zinc/92/27/10/1071922710.db2.gz NUMFMHSWABFQAB-MSOLQXFVSA-N 1 0 424.590 -0.955 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556370624 1071922827 /nfs/dbraw/zinc/92/28/27/1071922827.db2.gz NUMFMHSWABFQAB-QZTJIDSGSA-N 1 0 424.590 -0.955 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556370627 1068356889 /nfs/dbraw/zinc/35/68/89/1068356889.db2.gz NUMFMHSWABFQAB-ROUUACIJSA-N 1 0 424.590 -0.955 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556370628 1071922692 /nfs/dbraw/zinc/92/26/92/1071922692.db2.gz NUMFMHSWABFQAB-ZWKOTPCHSA-N 1 0 424.590 -0.955 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556370926 1071922791 /nfs/dbraw/zinc/92/27/91/1071922791.db2.gz RKLUKACKRZWDIM-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556370928 1071922753 /nfs/dbraw/zinc/92/27/53/1071922753.db2.gz RKLUKACKRZWDIM-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556370932 1071922850 /nfs/dbraw/zinc/92/28/50/1071922850.db2.gz RKLUKACKRZWDIM-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556370937 1071922615 /nfs/dbraw/zinc/92/26/15/1071922615.db2.gz RKLUKACKRZWDIM-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000556372486 1071923340 /nfs/dbraw/zinc/92/33/40/1071923340.db2.gz WRQNTLLSNKLVDD-KRWDZBQOSA-N 1 0 411.547 -0.917 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000556372487 1071923609 /nfs/dbraw/zinc/92/36/09/1071923609.db2.gz WRQNTLLSNKLVDD-QGZVFWFLSA-N 1 0 411.547 -0.917 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372720 1071923311 /nfs/dbraw/zinc/92/33/11/1071923311.db2.gz XLUKDRGPEAMWBY-INIZCTEOSA-N 1 0 419.526 -0.113 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000556372722 1071923488 /nfs/dbraw/zinc/92/34/88/1071923488.db2.gz XLUKDRGPEAMWBY-MRXNPFEDSA-N 1 0 419.526 -0.113 20 0 HBADRO COC(=O)c1cn(CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000556430479 1071934539 /nfs/dbraw/zinc/93/45/39/1071934539.db2.gz QFSGJZOMFDECAC-UHFFFAOYSA-N 1 0 402.459 -0.289 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@@H](C3CCC3)C2)cn1 ZINC000556485342 1071943129 /nfs/dbraw/zinc/94/31/29/1071943129.db2.gz IPXHQNKJDYTZPO-INIZCTEOSA-N 1 0 420.514 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@H](C3CCC3)C2)cn1 ZINC000556485344 1071943284 /nfs/dbraw/zinc/94/32/84/1071943284.db2.gz IPXHQNKJDYTZPO-MRXNPFEDSA-N 1 0 420.514 -0.226 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)ccn2)CC1 ZINC000556491303 1071942695 /nfs/dbraw/zinc/94/26/95/1071942695.db2.gz YNDMHPPPBHVGEV-NRFANRHFSA-N 1 0 414.510 -0.038 20 0 HBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)ccn2)CC1 ZINC000556491304 1071942729 /nfs/dbraw/zinc/94/27/29/1071942729.db2.gz YNDMHPPPBHVGEV-OAQYLSRUSA-N 1 0 414.510 -0.038 20 0 HBADRO C[N@@H+]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1Cc1ccccc1 ZINC000556508035 1071945107 /nfs/dbraw/zinc/94/51/07/1071945107.db2.gz QHQFAMBZIHZYBC-DLBZAZTESA-N 1 0 408.524 -0.142 20 0 HBADRO C[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1Cc1ccccc1 ZINC000556508039 1071945000 /nfs/dbraw/zinc/94/50/00/1071945000.db2.gz QHQFAMBZIHZYBC-IAGOWNOFSA-N 1 0 408.524 -0.142 20 0 HBADRO C[N@@H+]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1Cc1ccccc1 ZINC000556508041 1071945063 /nfs/dbraw/zinc/94/50/63/1071945063.db2.gz QHQFAMBZIHZYBC-IRXDYDNUSA-N 1 0 408.524 -0.142 20 0 HBADRO C[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1Cc1ccccc1 ZINC000556508046 1071945045 /nfs/dbraw/zinc/94/50/45/1071945045.db2.gz QHQFAMBZIHZYBC-SJORKVTESA-N 1 0 408.524 -0.142 20 0 HBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556561310 1071959102 /nfs/dbraw/zinc/95/91/02/1071959102.db2.gz RZUZYCJBYGRKOM-UHFFFAOYSA-N 1 0 410.446 -0.551 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nn1 ZINC000556563463 1069640195 /nfs/dbraw/zinc/64/01/95/1069640195.db2.gz BGFPJUDNRLQZAS-HNNXBMFYSA-N 1 0 406.487 -0.323 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nn1 ZINC000556563464 1071959885 /nfs/dbraw/zinc/95/98/85/1071959885.db2.gz BGFPJUDNRLQZAS-OAHLLOKOSA-N 1 0 406.487 -0.323 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nn1 ZINC000556563896 1071959926 /nfs/dbraw/zinc/95/99/26/1071959926.db2.gz OZPLWZLBENUCDZ-UHFFFAOYSA-N 1 0 420.514 0.366 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cn1 ZINC000556567766 1071960981 /nfs/dbraw/zinc/96/09/81/1071960981.db2.gz UJFKENFJYYQXLQ-INIZCTEOSA-N 1 0 402.455 -0.005 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cn1 ZINC000556567768 1071961038 /nfs/dbraw/zinc/96/10/38/1071961038.db2.gz UJFKENFJYYQXLQ-MRXNPFEDSA-N 1 0 402.455 -0.005 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000556580956 1071963219 /nfs/dbraw/zinc/96/32/19/1071963219.db2.gz NOTBBAMEKDJQIG-KRWDZBQOSA-N 1 0 420.510 -0.193 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000556580957 1071963194 /nfs/dbraw/zinc/96/31/94/1071963194.db2.gz NOTBBAMEKDJQIG-QGZVFWFLSA-N 1 0 420.510 -0.193 20 0 HBADRO O=C(NC[C@H]1COCCO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000556582295 1071963621 /nfs/dbraw/zinc/96/36/21/1071963621.db2.gz YUTCIVFBEFQZKF-KRWDZBQOSA-N 1 0 410.515 -0.641 20 0 HBADRO O=C(NC[C@@H]1COCCO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000556582296 1071963648 /nfs/dbraw/zinc/96/36/48/1071963648.db2.gz YUTCIVFBEFQZKF-QGZVFWFLSA-N 1 0 410.515 -0.641 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000556592730 1071965190 /nfs/dbraw/zinc/96/51/90/1071965190.db2.gz KYDPLQCDGCACMA-UHFFFAOYSA-N 1 0 416.522 -0.045 20 0 HBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000556593985 1069619440 /nfs/dbraw/zinc/61/94/40/1069619440.db2.gz DAFHLOHVRDHGJB-HNNXBMFYSA-N 1 0 408.503 0.137 20 0 HBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000556593986 1069614753 /nfs/dbraw/zinc/61/47/53/1069614753.db2.gz DAFHLOHVRDHGJB-OAHLLOKOSA-N 1 0 408.503 0.137 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000556594242 1071965071 /nfs/dbraw/zinc/96/50/71/1071965071.db2.gz ITVNBNRHGIPPJP-UHFFFAOYSA-N 1 0 407.471 -0.141 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556594725 1069629059 /nfs/dbraw/zinc/62/90/59/1069629059.db2.gz UANTWIVAPNPSDY-UHFFFAOYSA-N 1 0 422.486 -0.356 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(C(=O)COC)CC2)C1 ZINC000556594913 1071964735 /nfs/dbraw/zinc/96/47/35/1071964735.db2.gz ANKKOQDAKLWUQF-KRWDZBQOSA-N 1 0 412.531 -0.301 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(C(=O)COC)CC2)C1 ZINC000556594914 1071964765 /nfs/dbraw/zinc/96/47/65/1071964765.db2.gz ANKKOQDAKLWUQF-QGZVFWFLSA-N 1 0 412.531 -0.301 20 0 HBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556595317 1071964722 /nfs/dbraw/zinc/96/47/22/1071964722.db2.gz RGBYXAGOBLMOLP-UHFFFAOYSA-N 1 0 421.502 -0.402 20 0 HBADRO COCCc1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n(C)n1 ZINC000556595358 1071964287 /nfs/dbraw/zinc/96/42/87/1071964287.db2.gz SLSFDXXJBYJAJS-UHFFFAOYSA-N 1 0 408.503 -0.344 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556596529 1071964695 /nfs/dbraw/zinc/96/46/95/1071964695.db2.gz VGKCUFPWIBHEIQ-GOSISDBHSA-N 1 0 423.558 -0.632 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556596530 1071964667 /nfs/dbraw/zinc/96/46/67/1071964667.db2.gz VGKCUFPWIBHEIQ-SFHVURJKSA-N 1 0 423.558 -0.632 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000556625671 1071968393 /nfs/dbraw/zinc/96/83/93/1071968393.db2.gz FARIPMRPRLGPHR-UHFFFAOYSA-N 1 0 404.515 -0.026 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000556625683 1071968432 /nfs/dbraw/zinc/96/84/32/1071968432.db2.gz FMLYBKUNZJSHBL-UHFFFAOYSA-N 1 0 404.515 -0.122 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556628050 1071969007 /nfs/dbraw/zinc/96/90/07/1071969007.db2.gz YYVPSDGMILYPQQ-UHFFFAOYSA-N 1 0 422.530 -0.543 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1(C)C ZINC000556628957 1071970210 /nfs/dbraw/zinc/97/02/10/1071970210.db2.gz LNMGQCLVKMDLDB-UHFFFAOYSA-N 1 0 421.546 -0.970 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC000556634319 1071972413 /nfs/dbraw/zinc/97/24/13/1071972413.db2.gz AXTVRQCYQANNBR-UHFFFAOYSA-N 1 0 406.531 -0.058 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556637589 1071973912 /nfs/dbraw/zinc/97/39/12/1071973912.db2.gz CLHUNMQTMWONSX-DLBZAZTESA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556637596 1071973743 /nfs/dbraw/zinc/97/37/43/1071973743.db2.gz CLHUNMQTMWONSX-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556637598 1071973779 /nfs/dbraw/zinc/97/37/79/1071973779.db2.gz CLHUNMQTMWONSX-IRXDYDNUSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556637600 1071973857 /nfs/dbraw/zinc/97/38/57/1071973857.db2.gz CLHUNMQTMWONSX-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556640477 1071975014 /nfs/dbraw/zinc/97/50/14/1071975014.db2.gz RTXRIGPWGOYRRK-DLBZAZTESA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556640478 1071974967 /nfs/dbraw/zinc/97/49/67/1071974967.db2.gz RTXRIGPWGOYRRK-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556640479 1071975068 /nfs/dbraw/zinc/97/50/68/1071975068.db2.gz RTXRIGPWGOYRRK-IRXDYDNUSA-N 1 0 410.540 -0.184 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000556640480 1071975000 /nfs/dbraw/zinc/97/50/00/1071975000.db2.gz RTXRIGPWGOYRRK-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556641331 1071975559 /nfs/dbraw/zinc/97/55/59/1071975559.db2.gz XNVGZGLESDRJBS-IBGZPJMESA-N 1 0 417.554 -0.056 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556641332 1071975646 /nfs/dbraw/zinc/97/56/46/1071975646.db2.gz XNVGZGLESDRJBS-LJQANCHMSA-N 1 0 417.554 -0.056 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556642945 1071975725 /nfs/dbraw/zinc/97/57/25/1071975725.db2.gz CIHMYLNZNOSYKT-MOPGFXCFSA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556642947 1071975743 /nfs/dbraw/zinc/97/57/43/1071975743.db2.gz CIHMYLNZNOSYKT-OALUTQOASA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556642948 1071975612 /nfs/dbraw/zinc/97/56/12/1071975612.db2.gz CIHMYLNZNOSYKT-RBUKOAKNSA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556642950 1071975824 /nfs/dbraw/zinc/97/58/24/1071975824.db2.gz CIHMYLNZNOSYKT-RTBURBONSA-N 1 0 406.527 -0.573 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000556643198 1071975773 /nfs/dbraw/zinc/97/57/73/1071975773.db2.gz IMLCNQGZUCELGI-UHFFFAOYSA-N 1 0 420.601 -0.140 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000556648685 1071973930 /nfs/dbraw/zinc/97/39/30/1071973930.db2.gz NYWQUUDYBMTLQL-UHFFFAOYSA-N 1 0 418.560 -0.655 20 0 HBADRO CCN(CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000556649348 1071974387 /nfs/dbraw/zinc/97/43/87/1071974387.db2.gz MLIGNNXJNLWSED-HNNXBMFYSA-N 1 0 406.549 -0.609 20 0 HBADRO CCN(CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000556649349 1071974536 /nfs/dbraw/zinc/97/45/36/1071974536.db2.gz MLIGNNXJNLWSED-OAHLLOKOSA-N 1 0 406.549 -0.609 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000556649744 1071978516 /nfs/dbraw/zinc/97/85/16/1071978516.db2.gz TTYCDLSKLPCETE-UHFFFAOYSA-N 1 0 415.516 -0.411 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)S(C)(=O)=O ZINC000556650517 1071978522 /nfs/dbraw/zinc/97/85/22/1071978522.db2.gz SFNGCLUTWJDEKR-UHFFFAOYSA-N 1 0 406.549 -0.921 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000556651094 1071979034 /nfs/dbraw/zinc/97/90/34/1071979034.db2.gz AGNPJOFLXSPTSU-INIZCTEOSA-N 1 0 402.561 -0.036 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000556651095 1071979075 /nfs/dbraw/zinc/97/90/75/1071979075.db2.gz AGNPJOFLXSPTSU-MRXNPFEDSA-N 1 0 402.561 -0.036 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000556651858 1071978998 /nfs/dbraw/zinc/97/89/98/1071978998.db2.gz QLGPESPANGFUJJ-MRXNPFEDSA-N 1 0 418.560 -0.655 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NCCCN2CC[NH+](C)CC2)cc1OC ZINC000556762025 1071994572 /nfs/dbraw/zinc/99/45/72/1071994572.db2.gz VKDCTZPMIXIZOJ-UHFFFAOYSA-N 1 0 414.528 -0.264 20 0 HBADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000556797410 1071998995 /nfs/dbraw/zinc/99/89/95/1071998995.db2.gz BMSYNANVSXBWAV-AWEZNQCLSA-N 1 0 402.517 -0.142 20 0 HBADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000556797418 1071999046 /nfs/dbraw/zinc/99/90/46/1071999046.db2.gz BMSYNANVSXBWAV-CQSZACIVSA-N 1 0 402.517 -0.142 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000556799547 1071999538 /nfs/dbraw/zinc/99/95/38/1071999538.db2.gz UFYMFVAEULTUQF-UHFFFAOYSA-N 1 0 418.541 -0.491 20 0 HBADRO Cn1nncc1C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)c1cnnn1C ZINC000556857891 1072010071 /nfs/dbraw/zinc/01/00/71/1072010071.db2.gz GQOCTTFOGJUFTM-UHFFFAOYSA-N 1 0 403.491 -0.308 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000556901297 1072014667 /nfs/dbraw/zinc/01/46/67/1072014667.db2.gz LZUYVYRCLZSAEK-OLZOCXBDSA-N 1 0 400.501 -0.456 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000556901299 1072014511 /nfs/dbraw/zinc/01/45/11/1072014511.db2.gz LZUYVYRCLZSAEK-STQMWFEESA-N 1 0 400.501 -0.456 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000556927009 1072016732 /nfs/dbraw/zinc/01/67/32/1072016732.db2.gz KOOKLVBWSSYSLW-HNNXBMFYSA-N 1 0 423.514 -0.464 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000556927015 1072016806 /nfs/dbraw/zinc/01/68/06/1072016806.db2.gz KOOKLVBWSSYSLW-OAHLLOKOSA-N 1 0 423.514 -0.464 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1=O ZINC000556928691 1072016914 /nfs/dbraw/zinc/01/69/14/1072016914.db2.gz HMIXNEGPZHNXOL-INIZCTEOSA-N 1 0 416.482 -0.520 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1=O ZINC000556928692 1072016840 /nfs/dbraw/zinc/01/68/40/1072016840.db2.gz HMIXNEGPZHNXOL-MRXNPFEDSA-N 1 0 416.482 -0.520 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)co1 ZINC000556928943 1072017326 /nfs/dbraw/zinc/01/73/26/1072017326.db2.gz NXNUOCXUTNXVCJ-CYBMUJFWSA-N 1 0 402.473 -0.903 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)co1 ZINC000556928944 1072017260 /nfs/dbraw/zinc/01/72/60/1072017260.db2.gz NXNUOCXUTNXVCJ-ZDUSSCGKSA-N 1 0 402.473 -0.903 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1=O ZINC000556933281 1072017480 /nfs/dbraw/zinc/01/74/80/1072017480.db2.gz ILWWTHPLXOJYCZ-CYBMUJFWSA-N 1 0 401.485 -0.267 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1=O ZINC000556933282 1072017436 /nfs/dbraw/zinc/01/74/36/1072017436.db2.gz ILWWTHPLXOJYCZ-ZDUSSCGKSA-N 1 0 401.485 -0.267 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1=O ZINC000556934386 1072017386 /nfs/dbraw/zinc/01/73/86/1072017386.db2.gz UMUIMLPLZSTUJM-CYBMUJFWSA-N 1 0 405.455 -0.256 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1=O ZINC000556934387 1072017130 /nfs/dbraw/zinc/01/71/30/1072017130.db2.gz UMUIMLPLZSTUJM-ZDUSSCGKSA-N 1 0 405.455 -0.256 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n2C ZINC000556976841 1072021142 /nfs/dbraw/zinc/02/11/42/1072021142.db2.gz QFUXPBWWJNVUQS-IRXDYDNUSA-N 1 0 423.539 -0.111 20 0 HBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000556987328 1072022183 /nfs/dbraw/zinc/02/21/83/1072022183.db2.gz ZAEKEXYBQMDWBM-HRBLRVMOSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000556987332 1072022075 /nfs/dbraw/zinc/02/20/75/1072022075.db2.gz ZAEKEXYBQMDWBM-XNHLSEOASA-N 1 0 405.543 -0.117 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)CN3CCCC3=O)cn2)CC1 ZINC000556987882 1072021714 /nfs/dbraw/zinc/02/17/14/1072021714.db2.gz COPQEVYKEOGZES-INIZCTEOSA-N 1 0 416.526 -0.033 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)CN3CCCC3=O)cn2)CC1 ZINC000556987883 1072022219 /nfs/dbraw/zinc/02/22/19/1072022219.db2.gz COPQEVYKEOGZES-MRXNPFEDSA-N 1 0 416.526 -0.033 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556992219 1072023091 /nfs/dbraw/zinc/02/30/91/1072023091.db2.gz LHRBNMDVMHNBBM-AWEZNQCLSA-N 1 0 408.528 -0.017 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556992220 1072023246 /nfs/dbraw/zinc/02/32/46/1072023246.db2.gz LHRBNMDVMHNBBM-CQSZACIVSA-N 1 0 408.528 -0.017 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000556996409 1072023660 /nfs/dbraw/zinc/02/36/60/1072023660.db2.gz KYUZAOJFDFIXDY-GFCCVEGCSA-N 1 0 400.526 -0.196 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000556996411 1072023734 /nfs/dbraw/zinc/02/37/34/1072023734.db2.gz KYUZAOJFDFIXDY-LBPRGKRZSA-N 1 0 400.526 -0.196 20 0 HBADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000557000288 1072024278 /nfs/dbraw/zinc/02/42/78/1072024278.db2.gz XADVPMITXKAVHE-GPANFISMSA-N 1 0 407.515 -0.828 20 0 HBADRO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000557000289 1072024076 /nfs/dbraw/zinc/02/40/76/1072024076.db2.gz XADVPMITXKAVHE-UYSNPLJNSA-N 1 0 407.515 -0.828 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000557001841 1072024138 /nfs/dbraw/zinc/02/41/38/1072024138.db2.gz ZHHPDADWJMJTFR-KRWDZBQOSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000557001842 1072024683 /nfs/dbraw/zinc/02/46/83/1072024683.db2.gz ZHHPDADWJMJTFR-QGZVFWFLSA-N 1 0 405.543 -0.258 20 0 HBADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557010297 1072025729 /nfs/dbraw/zinc/02/57/29/1072025729.db2.gz XDDTVTAWTBUGRK-CABCVRRESA-N 1 0 412.498 -0.190 20 0 HBADRO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557010300 1072025539 /nfs/dbraw/zinc/02/55/39/1072025539.db2.gz XDDTVTAWTBUGRK-GJZGRUSLSA-N 1 0 412.498 -0.190 20 0 HBADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557010302 1072025820 /nfs/dbraw/zinc/02/58/20/1072025820.db2.gz XDDTVTAWTBUGRK-HUUCEWRRSA-N 1 0 412.498 -0.190 20 0 HBADRO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557010303 1072025702 /nfs/dbraw/zinc/02/57/02/1072025702.db2.gz XDDTVTAWTBUGRK-LSDHHAIUSA-N 1 0 412.498 -0.190 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)no2)cn1 ZINC000557012110 1072024602 /nfs/dbraw/zinc/02/46/02/1072024602.db2.gz TYMISYGKDLNXER-DZGCQCFKSA-N 1 0 415.454 -0.277 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)no2)cn1 ZINC000557012405 1072024654 /nfs/dbraw/zinc/02/46/54/1072024654.db2.gz TYMISYGKDLNXER-HIFRSBDPSA-N 1 0 415.454 -0.277 20 0 HBADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)no2)cn1 ZINC000557012407 1072024770 /nfs/dbraw/zinc/02/47/70/1072024770.db2.gz TYMISYGKDLNXER-UKRRQHHQSA-N 1 0 415.454 -0.277 20 0 HBADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)no2)cn1 ZINC000557012409 1072024796 /nfs/dbraw/zinc/02/47/96/1072024796.db2.gz TYMISYGKDLNXER-ZFWWWQNUSA-N 1 0 415.454 -0.277 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000557016205 1072027296 /nfs/dbraw/zinc/02/72/96/1072027296.db2.gz YVBWZNXEEPLLAU-INIZCTEOSA-N 1 0 419.530 -0.582 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000557016206 1072027227 /nfs/dbraw/zinc/02/72/27/1072027227.db2.gz YVBWZNXEEPLLAU-MRXNPFEDSA-N 1 0 419.530 -0.582 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1=O ZINC000557016416 1072027529 /nfs/dbraw/zinc/02/75/29/1072027529.db2.gz ZAPAFTLZTQIEAI-UHFFFAOYSA-N 1 0 420.510 -0.050 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)cn1C ZINC000557017089 1072027387 /nfs/dbraw/zinc/02/73/87/1072027387.db2.gz OTOYRWBZTRPLKW-CYBMUJFWSA-N 1 0 414.532 -0.982 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)cn1C ZINC000557017090 1072027329 /nfs/dbraw/zinc/02/73/29/1072027329.db2.gz OTOYRWBZTRPLKW-ZDUSSCGKSA-N 1 0 414.532 -0.982 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)cs1 ZINC000557026244 1072027811 /nfs/dbraw/zinc/02/78/11/1072027811.db2.gz YYGVJUKWGMPAGX-GFCCVEGCSA-N 1 0 417.557 -0.259 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)cs1 ZINC000557026245 1072028034 /nfs/dbraw/zinc/02/80/34/1072028034.db2.gz YYGVJUKWGMPAGX-LBPRGKRZSA-N 1 0 417.557 -0.259 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000557028015 1072027981 /nfs/dbraw/zinc/02/79/81/1072027981.db2.gz WAILHRRTFDFRPB-HNNXBMFYSA-N 1 0 405.503 -0.912 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000557028022 1072027836 /nfs/dbraw/zinc/02/78/36/1072027836.db2.gz WAILHRRTFDFRPB-OAHLLOKOSA-N 1 0 405.503 -0.912 20 0 HBADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)cc1 ZINC000557029824 1072028517 /nfs/dbraw/zinc/02/85/17/1072028517.db2.gz VEXHONIWLFGSOT-GOSISDBHSA-N 1 0 418.494 -0.264 20 0 HBADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)cc1 ZINC000557029827 1072028585 /nfs/dbraw/zinc/02/85/85/1072028585.db2.gz VEXHONIWLFGSOT-SFHVURJKSA-N 1 0 418.494 -0.264 20 0 HBADRO COCCn1nnc2c1CC[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC000557032254 1072028321 /nfs/dbraw/zinc/02/83/21/1072028321.db2.gz GAVMCDZPZNMWAC-UHFFFAOYSA-N 1 0 408.484 -0.041 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCN3CCOCC3)cn2)CC1 ZINC000557040667 1072029588 /nfs/dbraw/zinc/02/95/88/1072029588.db2.gz IKRKQENVLSYAAP-UHFFFAOYSA-N 1 0 418.542 -0.322 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000557060006 1072031229 /nfs/dbraw/zinc/03/12/29/1072031229.db2.gz LNCOCBZQGPAXHM-UHFFFAOYSA-N 1 0 406.483 -0.530 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000557085450 1072034597 /nfs/dbraw/zinc/03/45/97/1072034597.db2.gz ZOZKXVINBBXDGS-UHFFFAOYSA-N 1 0 407.559 -0.153 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557105495 1069122576 /nfs/dbraw/zinc/12/25/76/1069122576.db2.gz XSZWSCKPEQFYNB-CVEARBPZSA-N 1 0 402.499 -0.520 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557105497 1069122270 /nfs/dbraw/zinc/12/22/70/1069122270.db2.gz XSZWSCKPEQFYNB-HOTGVXAUSA-N 1 0 402.499 -0.520 20 0 HBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000557108775 1069125289 /nfs/dbraw/zinc/12/52/89/1069125289.db2.gz KSDQNDVQYUBYMS-FQEVSTJZSA-N 1 0 403.483 -0.139 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc(N)nc(N4CCOCC4)n3)cn2)CC1 ZINC000557475568 1069681444 /nfs/dbraw/zinc/68/14/44/1069681444.db2.gz NIHYNZLTPAKRLN-UHFFFAOYSA-N 1 0 413.486 -0.633 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)c3nc(N)nc(N4CCOCC4)n3)ccn2)CC1 ZINC000557535112 1069681490 /nfs/dbraw/zinc/68/14/90/1069681490.db2.gz QVSIBVYXBDIGNC-UHFFFAOYSA-N 1 0 413.486 -0.633 20 0 HBADRO CN1C[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC1=O ZINC000557579949 1068431031 /nfs/dbraw/zinc/43/10/31/1068431031.db2.gz RBJKDWYGEXHBAV-KRWDZBQOSA-N 1 0 402.495 -0.004 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000557838497 1068449925 /nfs/dbraw/zinc/44/99/25/1068449925.db2.gz JVKBYGMHAGNHDB-HUUCEWRRSA-N 1 0 418.564 -0.856 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000558216577 1068468104 /nfs/dbraw/zinc/46/81/04/1068468104.db2.gz INSMBUVPJLKUQM-GOSISDBHSA-N 1 0 419.501 -0.092 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000558216579 1068468175 /nfs/dbraw/zinc/46/81/75/1068468175.db2.gz INSMBUVPJLKUQM-SFHVURJKSA-N 1 0 419.501 -0.092 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCO1 ZINC000558224673 1068469350 /nfs/dbraw/zinc/46/93/50/1068469350.db2.gz YKXVWHSLOXIAMU-PBHICJAKSA-N 1 0 403.483 -0.303 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCO1 ZINC000558224676 1068469573 /nfs/dbraw/zinc/46/95/73/1068469573.db2.gz YKXVWHSLOXIAMU-RHSMWYFYSA-N 1 0 403.483 -0.303 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000558224677 1068469466 /nfs/dbraw/zinc/46/94/66/1068469466.db2.gz YKXVWHSLOXIAMU-WMLDXEAASA-N 1 0 403.483 -0.303 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000558224678 1068469516 /nfs/dbraw/zinc/46/95/16/1068469516.db2.gz YKXVWHSLOXIAMU-YOEHRIQHSA-N 1 0 403.483 -0.303 20 0 HBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000559053314 1069605024 /nfs/dbraw/zinc/60/50/24/1069605024.db2.gz BSOALMCXZYGEAD-UHFFFAOYSA-N 1 0 418.479 0.232 20 0 HBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccco1 ZINC000559370964 1068583941 /nfs/dbraw/zinc/58/39/41/1068583941.db2.gz HPOPLDZWSOQXDC-HOTGVXAUSA-N 1 0 405.499 -0.237 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000559431234 1068648731 /nfs/dbraw/zinc/64/87/31/1068648731.db2.gz ZJKQPJYQGSFQMW-UHFFFAOYSA-N 1 0 419.530 -0.367 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000559440077 1068648606 /nfs/dbraw/zinc/64/86/06/1068648606.db2.gz FKCUCFIAQPNBKL-KRWDZBQOSA-N 1 0 406.531 -0.463 20 0 HBADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000559462451 1068650045 /nfs/dbraw/zinc/65/00/45/1068650045.db2.gz DKHKGBJQUJTDHE-UHFFFAOYSA-N 1 0 403.531 -0.293 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)N1CCOCC1 ZINC000559551950 1068662646 /nfs/dbraw/zinc/66/26/46/1068662646.db2.gz BRZZRURMANZGFR-RTBURBONSA-N 1 0 411.591 -0.152 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000559561545 1068664916 /nfs/dbraw/zinc/66/49/16/1068664916.db2.gz HBVWRNHRDWPUJY-HOTGVXAUSA-N 1 0 402.499 -0.520 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](C)N1CCOCC1 ZINC000559562440 1068664208 /nfs/dbraw/zinc/66/42/08/1068664208.db2.gz XBYDAPXJLKZMQS-IAGOWNOFSA-N 1 0 418.542 -0.325 20 0 HBADRO Cn1cnc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000559597052 1069543399 /nfs/dbraw/zinc/54/33/99/1069543399.db2.gz HDBILHPQIUNBLY-MRXNPFEDSA-N 1 0 412.498 0.209 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000559605141 1068667345 /nfs/dbraw/zinc/66/73/45/1068667345.db2.gz FSHUCOWXCYRACX-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000559634335 1068667968 /nfs/dbraw/zinc/66/79/68/1068667968.db2.gz DKAJZRXOGRLHRB-NSHDSACASA-N 1 0 403.409 -0.615 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000559657359 1068669907 /nfs/dbraw/zinc/66/99/07/1068669907.db2.gz YKIIZDAFITYDKW-GOSISDBHSA-N 1 0 402.495 -0.217 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000559657365 1068670078 /nfs/dbraw/zinc/67/00/78/1068670078.db2.gz YKIIZDAFITYDKW-SFHVURJKSA-N 1 0 402.495 -0.217 20 0 HBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000559672516 1068670807 /nfs/dbraw/zinc/67/08/07/1068670807.db2.gz AYYNGPIFRQVAIL-OAHLLOKOSA-N 1 0 417.510 -0.279 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000559713941 1068673074 /nfs/dbraw/zinc/67/30/74/1068673074.db2.gz GUQGAZOGADQHHO-GJZGRUSLSA-N 1 0 415.450 -0.103 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)no1 ZINC000559759631 1069593119 /nfs/dbraw/zinc/59/31/19/1069593119.db2.gz UZEBGKORLIEVMZ-OAHLLOKOSA-N 1 0 420.514 -0.086 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000559779767 1068676845 /nfs/dbraw/zinc/67/68/45/1068676845.db2.gz KURARYNQZWHKNW-UHFFFAOYSA-N 1 0 403.527 -0.143 20 0 HBADRO COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000559913385 1069587811 /nfs/dbraw/zinc/58/78/11/1069587811.db2.gz SSATZWHPVULNIN-WBVHZDCISA-N 1 0 421.498 0.200 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C[NH+]1CCCC1 ZINC000560015411 1068691650 /nfs/dbraw/zinc/69/16/50/1068691650.db2.gz GTHOIAGSLGPODB-JKSUJKDBSA-N 1 0 404.515 -0.125 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000560035975 1068692127 /nfs/dbraw/zinc/69/21/27/1068692127.db2.gz VNGIZFMQBFEFRU-SFHVURJKSA-N 1 0 407.559 -0.009 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000560193449 1069569918 /nfs/dbraw/zinc/56/99/18/1069569918.db2.gz XJSLUOQOUBAQFJ-AWEZNQCLSA-N 1 0 404.471 -0.033 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000560193450 1069570553 /nfs/dbraw/zinc/57/05/53/1069570553.db2.gz XJSLUOQOUBAQFJ-CQSZACIVSA-N 1 0 404.471 -0.033 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1C ZINC000560230002 1069561134 /nfs/dbraw/zinc/56/11/34/1069561134.db2.gz PAZUOBRCQDPUFQ-INIZCTEOSA-N 1 0 416.482 0.304 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000560294599 1069683676 /nfs/dbraw/zinc/68/36/76/1069683676.db2.gz NDFPCMZMZOVTCA-OAHLLOKOSA-N 1 0 417.539 0.058 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000560294902 1068705591 /nfs/dbraw/zinc/70/55/91/1068705591.db2.gz URQNWLHNQPXBOW-SFHVURJKSA-N 1 0 403.527 -0.444 20 0 HBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)[NH+](C)C)cc1 ZINC000560308607 1068707614 /nfs/dbraw/zinc/70/76/14/1068707614.db2.gz YONOSAFXKSUOMH-RBUKOAKNSA-N 1 0 406.527 -0.135 20 0 HBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000560750305 1068732225 /nfs/dbraw/zinc/73/22/25/1068732225.db2.gz KIBBAALLOLBARV-AWEZNQCLSA-N 1 0 411.528 -0.659 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)CN1CCOCC1 ZINC000560884883 1068738681 /nfs/dbraw/zinc/73/86/81/1068738681.db2.gz OTOQHTBVFYCENP-CEXWTWQISA-N 1 0 409.575 -0.445 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C1CC1 ZINC000561009712 1069613332 /nfs/dbraw/zinc/61/33/32/1069613332.db2.gz AHALBQOCGCSCJU-UHFFFAOYSA-N 1 0 406.487 -0.334 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000561113786 1068755396 /nfs/dbraw/zinc/75/53/96/1068755396.db2.gz KBLLNNPQGYJAKG-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CCNC(=O)C1 ZINC000561287423 1068766362 /nfs/dbraw/zinc/76/63/62/1068766362.db2.gz PFFCBZPHCGYDDE-SJORKVTESA-N 1 0 421.542 -0.531 20 0 HBADRO Nc1nsc(N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)n1 ZINC000561357250 1069695507 /nfs/dbraw/zinc/69/55/07/1069695507.db2.gz XDNYCFQEFJHGAA-UHFFFAOYSA-N 1 0 423.543 -0.470 20 0 HBADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000561833211 1069591384 /nfs/dbraw/zinc/59/13/84/1069591384.db2.gz PKAOXYAYKPLBRV-HNNXBMFYSA-N 1 0 408.503 -0.083 20 0 HBADRO Cn1c(CCC(=O)N2CC[NH2+]CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000561950812 1068820975 /nfs/dbraw/zinc/82/09/75/1068820975.db2.gz KEMSOCPPFIHTMU-UHFFFAOYSA-N 1 0 421.523 -0.041 20 0 HBADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563437371 1068718113 /nfs/dbraw/zinc/71/81/13/1068718113.db2.gz IMHSWIZENMOXJP-DOTOQJQBSA-N 1 0 423.539 -0.101 20 0 HBADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563437372 1068718062 /nfs/dbraw/zinc/71/80/62/1068718062.db2.gz IMHSWIZENMOXJP-NVXWUHKLSA-N 1 0 423.539 -0.101 20 0 HBADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563437373 1068717819 /nfs/dbraw/zinc/71/78/19/1068717819.db2.gz IMHSWIZENMOXJP-RDJZCZTQSA-N 1 0 423.539 -0.101 20 0 HBADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563437374 1068717916 /nfs/dbraw/zinc/71/79/16/1068717916.db2.gz IMHSWIZENMOXJP-WBVHZDCISA-N 1 0 423.539 -0.101 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CCN2C1=O ZINC000563438334 1068718597 /nfs/dbraw/zinc/71/85/97/1068718597.db2.gz CVEHOWVVSQWLAO-AAEUAGOBSA-N 1 0 413.525 -0.864 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000563440667 1068718574 /nfs/dbraw/zinc/71/85/74/1068718574.db2.gz JDVFMJOYYAVRSF-DOMZBBRYSA-N 1 0 406.468 -0.673 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000563440668 1068718637 /nfs/dbraw/zinc/71/86/37/1068718637.db2.gz JDVFMJOYYAVRSF-IUODEOHRSA-N 1 0 406.468 -0.673 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000563440669 1068719144 /nfs/dbraw/zinc/71/91/44/1068719144.db2.gz JDVFMJOYYAVRSF-SWLSCSKDSA-N 1 0 406.468 -0.673 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000563440670 1068719082 /nfs/dbraw/zinc/71/90/82/1068719082.db2.gz JDVFMJOYYAVRSF-WFASDCNBSA-N 1 0 406.468 -0.673 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563442146 1068719248 /nfs/dbraw/zinc/71/92/48/1068719248.db2.gz OQYRNISJPKKMNR-GDBMZVCRSA-N 1 0 408.480 -0.672 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)cc2)CC1 ZINC000563485284 1069616285 /nfs/dbraw/zinc/61/62/85/1069616285.db2.gz PBLFYVHJNCXQFW-UHFFFAOYSA-N 1 0 413.482 0.083 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000563485558 1069547542 /nfs/dbraw/zinc/54/75/42/1069547542.db2.gz SDFTUBNNYNMPCU-UHFFFAOYSA-N 1 0 414.466 0.381 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000563554172 1069395264 /nfs/dbraw/zinc/39/52/64/1069395264.db2.gz TWVFTEDLEUGHAZ-UHFFFAOYSA-N 1 0 416.526 -0.398 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000563558382 1068758075 /nfs/dbraw/zinc/75/80/75/1068758075.db2.gz YCRRIIDQSQOCQF-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000563709792 1070656829 /nfs/dbraw/zinc/65/68/29/1070656829.db2.gz PETAWCVYPYWQEA-INIZCTEOSA-N 1 0 417.514 -0.816 20 0 HBADRO C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000563899422 1068864654 /nfs/dbraw/zinc/86/46/54/1068864654.db2.gz VXVZFALLIXIMJM-CAVOSLQRSA-N 1 0 409.512 -0.857 20 0 HBADRO C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000563899423 1068865292 /nfs/dbraw/zinc/86/52/92/1068865292.db2.gz VXVZFALLIXIMJM-DUPGQFARSA-N 1 0 409.512 -0.857 20 0 HBADRO C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000563899424 1068865231 /nfs/dbraw/zinc/86/52/31/1068865231.db2.gz VXVZFALLIXIMJM-GMZLATJGSA-N 1 0 409.512 -0.857 20 0 HBADRO C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000563899425 1071157729 /nfs/dbraw/zinc/15/77/29/1071157729.db2.gz VXVZFALLIXIMJM-LMRQPLJMSA-N 1 0 409.512 -0.857 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cn1 ZINC000563923135 1071305607 /nfs/dbraw/zinc/30/56/07/1071305607.db2.gz MUIZUVNUMYBNEH-DOTOQJQBSA-N 1 0 420.514 -0.085 20 0 HBADRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000564180601 1069599065 /nfs/dbraw/zinc/59/90/65/1069599065.db2.gz QGEMVHMOSGVFLW-UHFFFAOYSA-N 1 0 407.519 0.419 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)CC(=O)N2C)cnn1C ZINC000564380368 1072118481 /nfs/dbraw/zinc/11/84/81/1072118481.db2.gz RZTORTNBTRVMAU-ZDRJDWQYSA-N 1 0 402.499 -0.331 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c2ccccc2O1 ZINC000564476020 1069564226 /nfs/dbraw/zinc/56/42/26/1069564226.db2.gz JXXBRDGQNNXMFE-HNNXBMFYSA-N 1 0 400.439 -0.077 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c2ccccc2O1 ZINC000564476022 1069564945 /nfs/dbraw/zinc/56/49/45/1069564945.db2.gz JXXBRDGQNNXMFE-OAHLLOKOSA-N 1 0 400.439 -0.077 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000564490689 1068701502 /nfs/dbraw/zinc/70/15/02/1068701502.db2.gz VEYGQIZIKATEIF-UHFFFAOYSA-N 1 0 402.503 -0.140 20 0 HBADRO O=C(CNS(=O)(=O)c1ccccc1F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000564513269 1068774731 /nfs/dbraw/zinc/77/47/31/1068774731.db2.gz IWLNCZKJWLGOSI-UHFFFAOYSA-N 1 0 415.487 -0.210 20 0 HBADRO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000565488095 1069621617 /nfs/dbraw/zinc/62/16/17/1069621617.db2.gz OORUPHVDUVFFGD-UHFFFAOYSA-N 1 0 414.447 0.478 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000565668624 1069545295 /nfs/dbraw/zinc/54/52/95/1069545295.db2.gz ANMPXAYOTWTQEY-UHFFFAOYSA-N 1 0 406.549 -0.657 20 0 HBADRO C[NH+](C)CCOc1cccc(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)c1 ZINC000565909404 1069683770 /nfs/dbraw/zinc/68/37/70/1069683770.db2.gz QUINZJVAVYVNKS-UHFFFAOYSA-N 1 0 401.471 0.161 20 0 HBADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000566980253 1069591401 /nfs/dbraw/zinc/59/14/01/1069591401.db2.gz PKAOXYAYKPLBRV-OAHLLOKOSA-N 1 0 408.503 -0.083 20 0 HBADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000567153132 1069566456 /nfs/dbraw/zinc/56/64/56/1069566456.db2.gz NOJIVSTUUNAHGV-OAHLLOKOSA-N 1 0 407.519 0.464 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)cn2)CC1 ZINC000567359621 1070092822 /nfs/dbraw/zinc/09/28/22/1070092822.db2.gz FOFFKSDYXRRMFI-INIZCTEOSA-N 1 0 417.514 -0.644 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)cn2)CC1 ZINC000567359622 1070092951 /nfs/dbraw/zinc/09/29/51/1070092951.db2.gz FOFFKSDYXRRMFI-MRXNPFEDSA-N 1 0 417.514 -0.644 20 0 HBADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC1 ZINC000567399064 1069683826 /nfs/dbraw/zinc/68/38/26/1069683826.db2.gz BVHBVLKLZZJJQF-MRXNPFEDSA-N 1 0 403.531 0.082 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccnc2)c1 ZINC000567405149 1070099006 /nfs/dbraw/zinc/09/90/06/1070099006.db2.gz SHCSZORZKXVCAI-UHFFFAOYSA-N 1 0 419.507 -0.032 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000567954189 1070296903 /nfs/dbraw/zinc/29/69/03/1070296903.db2.gz UDCJFZSZWJEVRG-JXXFODFXSA-N 1 0 408.499 -0.794 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000567954190 1070296866 /nfs/dbraw/zinc/29/68/66/1070296866.db2.gz UDCJFZSZWJEVRG-QINHECLXSA-N 1 0 408.499 -0.794 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000567954191 1070296728 /nfs/dbraw/zinc/29/67/28/1070296728.db2.gz UDCJFZSZWJEVRG-RZQQEMMASA-N 1 0 408.499 -0.794 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000567954192 1070296817 /nfs/dbraw/zinc/29/68/17/1070296817.db2.gz UDCJFZSZWJEVRG-YRNRMSPPSA-N 1 0 408.499 -0.794 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000568128374 1070318754 /nfs/dbraw/zinc/31/87/54/1070318754.db2.gz QSSDDZLHLVQEIE-DLBZAZTESA-N 1 0 401.504 -0.508 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000568128375 1070318529 /nfs/dbraw/zinc/31/85/29/1070318529.db2.gz QSSDDZLHLVQEIE-IAGOWNOFSA-N 1 0 401.504 -0.508 20 0 HBADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000568128376 1070318717 /nfs/dbraw/zinc/31/87/17/1070318717.db2.gz QSSDDZLHLVQEIE-IRXDYDNUSA-N 1 0 401.504 -0.508 20 0 HBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000568128377 1070318839 /nfs/dbraw/zinc/31/88/39/1070318839.db2.gz QSSDDZLHLVQEIE-SJORKVTESA-N 1 0 401.504 -0.508 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1COCCO1)[C@H]1COCCO1 ZINC000568740045 1070418642 /nfs/dbraw/zinc/41/86/42/1070418642.db2.gz GSPGLNGSBBCCEC-MSOLQXFVSA-N 1 0 413.515 -0.362 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1COCCO1)[C@H]1COCCO1 ZINC000568740046 1070418614 /nfs/dbraw/zinc/41/86/14/1070418614.db2.gz GSPGLNGSBBCCEC-QZTJIDSGSA-N 1 0 413.515 -0.362 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1COCCO1)[C@@H]1COCCO1 ZINC000568740047 1070418303 /nfs/dbraw/zinc/41/83/03/1070418303.db2.gz GSPGLNGSBBCCEC-ROUUACIJSA-N 1 0 413.515 -0.362 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1COCCO1)[C@@H]1COCCO1 ZINC000568740048 1070418621 /nfs/dbraw/zinc/41/86/21/1070418621.db2.gz GSPGLNGSBBCCEC-ZWKOTPCHSA-N 1 0 413.515 -0.362 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000568915072 1070448393 /nfs/dbraw/zinc/44/83/93/1070448393.db2.gz LXAKYHQBFNTWFU-QGZVFWFLSA-N 1 0 418.608 -0.026 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000568915203 1070449157 /nfs/dbraw/zinc/44/91/57/1070449157.db2.gz RXXZIXSEMGHFMS-UHFFFAOYSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)S(C)(=O)=O ZINC000569020976 1070459523 /nfs/dbraw/zinc/45/95/23/1070459523.db2.gz ANCGSQMYQNIMOL-BZUAXINKSA-N 1 0 402.561 -0.447 20 0 HBADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000569621182 1068761603 /nfs/dbraw/zinc/76/16/03/1068761603.db2.gz LPTJYGHBMJUMGX-LLVKDONJSA-N 1 0 403.423 -0.094 20 0 HBADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000569621183 1068761946 /nfs/dbraw/zinc/76/19/46/1068761946.db2.gz LPTJYGHBMJUMGX-NSHDSACASA-N 1 0 403.423 -0.094 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCc3ccc(C(N)=O)cc3)ccn2)CC1 ZINC000569629853 1068787305 /nfs/dbraw/zinc/78/73/05/1068787305.db2.gz MMUOVUPBXOKGOB-UHFFFAOYSA-N 1 0 410.478 -0.135 20 0 HBADRO CN(Cc1cc[nH]n1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000569720989 1068932846 /nfs/dbraw/zinc/93/28/46/1068932846.db2.gz UOCKRUMVOMYMMM-UHFFFAOYSA-N 1 0 400.487 -0.123 20 0 HBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569746115 1068933471 /nfs/dbraw/zinc/93/34/71/1068933471.db2.gz YOJLTCGHKGRAPT-XPKDYRNWSA-N 1 0 409.512 -0.492 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000569878448 1070549013 /nfs/dbraw/zinc/54/90/13/1070549013.db2.gz JQJPKTMXLDSTED-UHFFFAOYSA-N 1 0 402.517 -0.053 20 0 HBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000569888299 1068940373 /nfs/dbraw/zinc/94/03/73/1068940373.db2.gz HJEFJHVJYMMGQA-UHFFFAOYSA-N 1 0 403.527 -0.185 20 0 HBADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000569951012 1068943294 /nfs/dbraw/zinc/94/32/94/1068943294.db2.gz ILHUSFGGVBLRCC-SJORKVTESA-N 1 0 409.531 -0.580 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCN2C1=O ZINC000569989373 1068944792 /nfs/dbraw/zinc/94/47/92/1068944792.db2.gz XPBWDQMTFCFDAO-AAEUAGOBSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCN2C1=O ZINC000569989374 1070561878 /nfs/dbraw/zinc/56/18/78/1070561878.db2.gz XPBWDQMTFCFDAO-DGCLKSJQSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCN2C1=O ZINC000569989375 1070562865 /nfs/dbraw/zinc/56/28/65/1070562865.db2.gz XPBWDQMTFCFDAO-WCQYABFASA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CCN2C1=O ZINC000569989376 1070562784 /nfs/dbraw/zinc/56/27/84/1070562784.db2.gz XPBWDQMTFCFDAO-YPMHNXCESA-N 1 0 400.888 -0.221 20 0 HBADRO Cc1nc(NC(=O)C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)nn1C ZINC000570064639 1069652741 /nfs/dbraw/zinc/65/27/41/1069652741.db2.gz IIKTXYWVIPVGTP-UHFFFAOYSA-N 1 0 415.498 0.351 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)n(C)n1 ZINC000570080850 1068948860 /nfs/dbraw/zinc/94/88/60/1068948860.db2.gz OKTOSTMWFVIKDW-JKSUJKDBSA-N 1 0 402.499 -0.106 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000570181884 1068952141 /nfs/dbraw/zinc/95/21/41/1068952141.db2.gz PGZIRLNYXJKKSL-KRWDZBQOSA-N 1 0 411.547 -0.728 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000570209545 1068954638 /nfs/dbraw/zinc/95/46/38/1068954638.db2.gz POOWNZUXYYGIRZ-UHFFFAOYSA-N 1 0 415.516 -0.418 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000570228493 1070580276 /nfs/dbraw/zinc/58/02/76/1070580276.db2.gz FLDIJQSOVFLYKR-MOPGFXCFSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000570228494 1070581219 /nfs/dbraw/zinc/58/12/19/1070581219.db2.gz FLDIJQSOVFLYKR-OALUTQOASA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000570228495 1070581024 /nfs/dbraw/zinc/58/10/24/1070581024.db2.gz FLDIJQSOVFLYKR-RBUKOAKNSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000570228496 1070581155 /nfs/dbraw/zinc/58/11/55/1070581155.db2.gz FLDIJQSOVFLYKR-RTBURBONSA-N 1 0 409.575 -0.302 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)no1 ZINC000570234183 1069593752 /nfs/dbraw/zinc/59/37/52/1069593752.db2.gz TYXCDKSRSLQSIB-CYBMUJFWSA-N 1 0 406.487 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)no1 ZINC000570234185 1069594227 /nfs/dbraw/zinc/59/42/27/1069594227.db2.gz TYXCDKSRSLQSIB-ZDUSSCGKSA-N 1 0 406.487 -0.335 20 0 HBADRO COCC[C@]1([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOC1 ZINC000570273734 1068956455 /nfs/dbraw/zinc/95/64/55/1068956455.db2.gz SLBXDCVNKRPPNZ-IBGZPJMESA-N 1 0 403.487 -0.203 20 0 HBADRO COCC[C@@]1([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOC1 ZINC000570273741 1068956728 /nfs/dbraw/zinc/95/67/28/1068956728.db2.gz SLBXDCVNKRPPNZ-LJQANCHMSA-N 1 0 403.487 -0.203 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000570351797 1068960833 /nfs/dbraw/zinc/96/08/33/1068960833.db2.gz WAAOKSIRUQPPLS-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000570359294 1070594961 /nfs/dbraw/zinc/59/49/61/1070594961.db2.gz CTYYURQHNVEYOT-MSOLQXFVSA-N 1 0 424.542 -0.422 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000570359296 1068961782 /nfs/dbraw/zinc/96/17/82/1068961782.db2.gz CTYYURQHNVEYOT-QZTJIDSGSA-N 1 0 424.542 -0.422 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000570359298 1070594828 /nfs/dbraw/zinc/59/48/28/1070594828.db2.gz CTYYURQHNVEYOT-ROUUACIJSA-N 1 0 424.542 -0.422 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000570359300 1070594972 /nfs/dbraw/zinc/59/49/72/1070594972.db2.gz CTYYURQHNVEYOT-ZWKOTPCHSA-N 1 0 424.542 -0.422 20 0 HBADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000570362620 1068961871 /nfs/dbraw/zinc/96/18/71/1068961871.db2.gz SZOZQMUEEZXLJH-OAHLLOKOSA-N 1 0 423.539 -0.173 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000570422268 1068963837 /nfs/dbraw/zinc/96/38/37/1068963837.db2.gz OCMAMWSHBRMYCZ-AWEZNQCLSA-N 1 0 421.464 -0.250 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000570422269 1070604909 /nfs/dbraw/zinc/60/49/09/1070604909.db2.gz OCMAMWSHBRMYCZ-CQSZACIVSA-N 1 0 421.464 -0.250 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000570429589 1068963666 /nfs/dbraw/zinc/96/36/66/1068963666.db2.gz RDWVTXDQMUKYKN-KRWDZBQOSA-N 1 0 424.567 -0.140 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000570429590 1070605630 /nfs/dbraw/zinc/60/56/30/1070605630.db2.gz RDWVTXDQMUKYKN-QGZVFWFLSA-N 1 0 424.567 -0.140 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000570436981 1068964688 /nfs/dbraw/zinc/96/46/88/1068964688.db2.gz XVJOFMWTMYPQCW-INIZCTEOSA-N 1 0 414.510 -0.038 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000570472228 1068966669 /nfs/dbraw/zinc/96/66/69/1068966669.db2.gz IAEBNEMZPUSNED-AEFFLSMTSA-N 1 0 407.559 -0.012 20 0 HBADRO O=C(NCCc1nnnn1-c1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000570532356 1069588428 /nfs/dbraw/zinc/58/84/28/1069588428.db2.gz ZILVZAMDKHLBDS-UHFFFAOYSA-N 1 0 403.406 0.540 20 0 HBADRO CCN(C(=O)[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000570853215 1068994564 /nfs/dbraw/zinc/99/45/64/1068994564.db2.gz NQMMYWOEGLZGBI-DOTOQJQBSA-N 1 0 416.588 -0.200 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccc(F)cc1 ZINC000570961051 1069677374 /nfs/dbraw/zinc/67/73/74/1069677374.db2.gz WKUZPXRGBJGMBS-UHFFFAOYSA-N 1 0 421.502 0.156 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000570979707 1069545870 /nfs/dbraw/zinc/54/58/70/1069545870.db2.gz KGJYDNCRUQEAHE-UHFFFAOYSA-N 1 0 408.484 0.272 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000571095441 1070712709 /nfs/dbraw/zinc/71/27/09/1070712709.db2.gz ILOTWSQAWQKXMH-UHFFFAOYSA-N 1 0 412.512 -0.162 20 0 HBADRO COCCCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](C)CC1 ZINC000571100320 1070712742 /nfs/dbraw/zinc/71/27/42/1070712742.db2.gz LXPVMMWYJYPYAC-DOTOQJQBSA-N 1 0 415.556 -0.019 20 0 HBADRO COCCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](C)CC1 ZINC000571100321 1070712566 /nfs/dbraw/zinc/71/25/66/1070712566.db2.gz LXPVMMWYJYPYAC-NVXWUHKLSA-N 1 0 415.556 -0.019 20 0 HBADRO COCCCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](C)CC1 ZINC000571100322 1070712450 /nfs/dbraw/zinc/71/24/50/1070712450.db2.gz LXPVMMWYJYPYAC-RDJZCZTQSA-N 1 0 415.556 -0.019 20 0 HBADRO COCCCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](C)CC1 ZINC000571100323 1070712634 /nfs/dbraw/zinc/71/26/34/1070712634.db2.gz LXPVMMWYJYPYAC-WBVHZDCISA-N 1 0 415.556 -0.019 20 0 HBADRO CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571106762 1070712495 /nfs/dbraw/zinc/71/24/95/1070712495.db2.gz QBCDFKGTNODEIE-GDBMZVCRSA-N 1 0 411.480 -0.058 20 0 HBADRO CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571106763 1070712808 /nfs/dbraw/zinc/71/28/08/1070712808.db2.gz QBCDFKGTNODEIE-GOEBONIOSA-N 1 0 411.480 -0.058 20 0 HBADRO CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571106764 1070712787 /nfs/dbraw/zinc/71/27/87/1070712787.db2.gz QBCDFKGTNODEIE-HOCLYGCPSA-N 1 0 411.480 -0.058 20 0 HBADRO CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571106765 1070712608 /nfs/dbraw/zinc/71/26/08/1070712608.db2.gz QBCDFKGTNODEIE-ZBFHGGJFSA-N 1 0 411.480 -0.058 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571116235 1070712544 /nfs/dbraw/zinc/71/25/44/1070712544.db2.gz XLTBNGFDIFDYIZ-IBGZPJMESA-N 1 0 410.540 -0.036 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571116236 1070712417 /nfs/dbraw/zinc/71/24/17/1070712417.db2.gz XLTBNGFDIFDYIZ-LJQANCHMSA-N 1 0 410.540 -0.036 20 0 HBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000571212499 1070716075 /nfs/dbraw/zinc/71/60/75/1070716075.db2.gz XOCZZBRBTQBCOS-UHFFFAOYSA-N 1 0 407.562 -0.294 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571267014 1070715933 /nfs/dbraw/zinc/71/59/33/1070715933.db2.gz NTQMIBBHGYSBMS-DLBZAZTESA-N 1 0 408.524 -0.083 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571267015 1070716051 /nfs/dbraw/zinc/71/60/51/1070716051.db2.gz NTQMIBBHGYSBMS-IAGOWNOFSA-N 1 0 408.524 -0.083 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571267016 1070716188 /nfs/dbraw/zinc/71/61/88/1070716188.db2.gz NTQMIBBHGYSBMS-IRXDYDNUSA-N 1 0 408.524 -0.083 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571267017 1070715995 /nfs/dbraw/zinc/71/59/95/1070715995.db2.gz NTQMIBBHGYSBMS-SJORKVTESA-N 1 0 408.524 -0.083 20 0 HBADRO Cc1c(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)c2nnn(C)c2C)nnn1C ZINC000571271624 1070715962 /nfs/dbraw/zinc/71/59/62/1070715962.db2.gz WVZZBGLDAPVSHK-UHFFFAOYSA-N 1 0 417.518 -0.081 20 0 HBADRO CCOC(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000571308523 1070716934 /nfs/dbraw/zinc/71/69/34/1070716934.db2.gz LTCSHDWJYXDJKE-INIZCTEOSA-N 1 0 410.515 -0.153 20 0 HBADRO CCOC(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000571308524 1070717028 /nfs/dbraw/zinc/71/70/28/1070717028.db2.gz LTCSHDWJYXDJKE-MRXNPFEDSA-N 1 0 410.515 -0.153 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000571366376 1070718481 /nfs/dbraw/zinc/71/84/81/1070718481.db2.gz ZIOIDNVGLJLOKV-DLBZAZTESA-N 1 0 423.558 -0.562 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000571366377 1070718619 /nfs/dbraw/zinc/71/86/19/1070718619.db2.gz ZIOIDNVGLJLOKV-IAGOWNOFSA-N 1 0 423.558 -0.562 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000571366378 1070718399 /nfs/dbraw/zinc/71/83/99/1070718399.db2.gz ZIOIDNVGLJLOKV-IRXDYDNUSA-N 1 0 423.558 -0.562 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000571366379 1070718544 /nfs/dbraw/zinc/71/85/44/1070718544.db2.gz ZIOIDNVGLJLOKV-SJORKVTESA-N 1 0 423.558 -0.562 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 ZINC000571385893 1070717374 /nfs/dbraw/zinc/71/73/74/1070717374.db2.gz OADONBFSHJBAPB-UHFFFAOYSA-N 1 0 418.523 -0.389 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000571409125 1070717799 /nfs/dbraw/zinc/71/77/99/1070717799.db2.gz BXEIXIHKKZJCGB-INIZCTEOSA-N 1 0 412.498 -0.519 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000571409138 1070717887 /nfs/dbraw/zinc/71/78/87/1070717887.db2.gz BXEIXIHKKZJCGB-MRXNPFEDSA-N 1 0 412.498 -0.519 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000571419274 1070717847 /nfs/dbraw/zinc/71/78/47/1070717847.db2.gz UMXNEJIUHWDPBI-BFHYXJOUSA-N 1 0 412.537 -0.020 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000571419275 1070717963 /nfs/dbraw/zinc/71/79/63/1070717963.db2.gz UMXNEJIUHWDPBI-HZSPNIEDSA-N 1 0 412.537 -0.020 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000571419276 1070718003 /nfs/dbraw/zinc/71/80/03/1070718003.db2.gz UMXNEJIUHWDPBI-MELADBBJSA-N 1 0 412.537 -0.020 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000571419277 1070717918 /nfs/dbraw/zinc/71/79/18/1070717918.db2.gz UMXNEJIUHWDPBI-MGPQQGTHSA-N 1 0 412.537 -0.020 20 0 HBADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)C2)C1 ZINC000571425046 1069555907 /nfs/dbraw/zinc/55/59/07/1069555907.db2.gz RXXFHVLROBLCID-HXUWFJFHSA-N 1 0 417.514 0.173 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N(CCO)C1CCC1 ZINC000571426477 1069469418 /nfs/dbraw/zinc/46/94/18/1069469418.db2.gz UVCDAALWDCABFY-UHFFFAOYSA-N 1 0 404.515 -0.132 20 0 HBADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000571456554 1069566538 /nfs/dbraw/zinc/56/65/38/1069566538.db2.gz NOJIVSTUUNAHGV-HNNXBMFYSA-N 1 0 407.519 0.464 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000571470289 1070719073 /nfs/dbraw/zinc/71/90/73/1070719073.db2.gz PXVITRXPNVBCDU-UHFFFAOYSA-N 1 0 401.489 -0.942 20 0 HBADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571581501 1070721052 /nfs/dbraw/zinc/72/10/52/1070721052.db2.gz GAPSJYUZMQGRTM-DOMZBBRYSA-N 1 0 401.510 -0.197 20 0 HBADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571581506 1070721031 /nfs/dbraw/zinc/72/10/31/1070721031.db2.gz GAPSJYUZMQGRTM-IUODEOHRSA-N 1 0 401.510 -0.197 20 0 HBADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000571581507 1070720902 /nfs/dbraw/zinc/72/09/02/1070720902.db2.gz GAPSJYUZMQGRTM-SWLSCSKDSA-N 1 0 401.510 -0.197 20 0 HBADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000571581510 1070720714 /nfs/dbraw/zinc/72/07/14/1070720714.db2.gz GAPSJYUZMQGRTM-WFASDCNBSA-N 1 0 401.510 -0.197 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581732 1070720784 /nfs/dbraw/zinc/72/07/84/1070720784.db2.gz HQFCETXGSJXERA-MOPGFXCFSA-N 1 0 413.522 -0.491 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581733 1070720952 /nfs/dbraw/zinc/72/09/52/1070720952.db2.gz HQFCETXGSJXERA-OALUTQOASA-N 1 0 413.522 -0.491 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581734 1070720981 /nfs/dbraw/zinc/72/09/81/1070720981.db2.gz HQFCETXGSJXERA-RBUKOAKNSA-N 1 0 413.522 -0.491 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581735 1070720745 /nfs/dbraw/zinc/72/07/45/1070720745.db2.gz HQFCETXGSJXERA-RTBURBONSA-N 1 0 413.522 -0.491 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)no1 ZINC000571600357 1069595721 /nfs/dbraw/zinc/59/57/21/1069595721.db2.gz UJWCMBYBLGCAKX-ZFWWWQNUSA-N 1 0 418.498 -0.193 20 0 HBADRO CCc1c(C(=O)NCCC[N@H+](C)CCN(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000571608184 1070722657 /nfs/dbraw/zinc/72/26/57/1070722657.db2.gz TZJQVNVLQOLTFG-UHFFFAOYSA-N 1 0 404.515 -0.192 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000571626022 1070722626 /nfs/dbraw/zinc/72/26/26/1070722626.db2.gz WAHGZGDVECHHSF-UHFFFAOYSA-N 1 0 422.530 -0.277 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000571667561 1070723726 /nfs/dbraw/zinc/72/37/26/1070723726.db2.gz BZBNIHFCLLAJQE-HNNXBMFYSA-N 1 0 418.585 -0.432 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000571667562 1070723824 /nfs/dbraw/zinc/72/38/24/1070723824.db2.gz BZBNIHFCLLAJQE-OAHLLOKOSA-N 1 0 418.585 -0.432 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1=O ZINC000571678647 1070723861 /nfs/dbraw/zinc/72/38/61/1070723861.db2.gz SELOYMCNGLVIQU-DLBZAZTESA-N 1 0 410.515 -0.812 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O ZINC000571678648 1070723832 /nfs/dbraw/zinc/72/38/32/1070723832.db2.gz SELOYMCNGLVIQU-IAGOWNOFSA-N 1 0 410.515 -0.812 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000571678649 1071312472 /nfs/dbraw/zinc/31/24/72/1071312472.db2.gz SELOYMCNGLVIQU-IRXDYDNUSA-N 1 0 410.515 -0.812 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000571678650 1071312441 /nfs/dbraw/zinc/31/24/41/1071312441.db2.gz SELOYMCNGLVIQU-SJORKVTESA-N 1 0 410.515 -0.812 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[N@@H+]1CCC[C@H](C)C1 ZINC000571680818 1070723872 /nfs/dbraw/zinc/72/38/72/1070723872.db2.gz HUPHTRKOCMLMQI-KBPBESRZSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571681067 1070723734 /nfs/dbraw/zinc/72/37/34/1070723734.db2.gz HUPHTRKOCMLMQI-KGLIPLIRSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[N@@H+]1CCC[C@H](C)C1 ZINC000571681074 1070723696 /nfs/dbraw/zinc/72/36/96/1070723696.db2.gz HUPHTRKOCMLMQI-UONOGXRCSA-N 1 0 415.516 -0.553 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571681076 1071317491 /nfs/dbraw/zinc/31/74/91/1071317491.db2.gz HUPHTRKOCMLMQI-ZIAGYGMSSA-N 1 0 415.516 -0.553 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(C(N)=O)c3)cn2)CC1 ZINC000571705742 1070724359 /nfs/dbraw/zinc/72/43/59/1070724359.db2.gz ICZLMONMPDXFPU-UHFFFAOYSA-N 1 0 410.478 -0.135 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)NC(C)C ZINC000571777426 1070733798 /nfs/dbraw/zinc/73/37/98/1070733798.db2.gz ZFMYVKDTAZHBHN-KBPBESRZSA-N 1 0 410.496 -0.234 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)NC(C)C ZINC000571777428 1070733687 /nfs/dbraw/zinc/73/36/87/1070733687.db2.gz ZFMYVKDTAZHBHN-KGLIPLIRSA-N 1 0 410.496 -0.234 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)NC(C)C ZINC000571777429 1070733842 /nfs/dbraw/zinc/73/38/42/1070733842.db2.gz ZFMYVKDTAZHBHN-UONOGXRCSA-N 1 0 410.496 -0.234 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)NC(C)C ZINC000571777430 1070733864 /nfs/dbraw/zinc/73/38/64/1070733864.db2.gz ZFMYVKDTAZHBHN-ZIAGYGMSSA-N 1 0 410.496 -0.234 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)n1 ZINC000571781854 1070733714 /nfs/dbraw/zinc/73/37/14/1070733714.db2.gz KUGDMWJAMPKTCW-UHFFFAOYSA-N 1 0 410.544 -0.022 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@H](C)O1 ZINC000571787743 1070734520 /nfs/dbraw/zinc/73/45/20/1070734520.db2.gz VGGDAVJJUXEHBL-CALCHBBNSA-N 1 0 419.526 -0.186 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@@H](C)O1 ZINC000571787744 1070734444 /nfs/dbraw/zinc/73/44/44/1070734444.db2.gz VGGDAVJJUXEHBL-IAGOWNOFSA-N 1 0 419.526 -0.186 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@H](C)O1 ZINC000571787745 1070734325 /nfs/dbraw/zinc/73/43/25/1070734325.db2.gz VGGDAVJJUXEHBL-IRXDYDNUSA-N 1 0 419.526 -0.186 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC000571812624 1069544778 /nfs/dbraw/zinc/54/47/78/1069544778.db2.gz BGFYNJPSPCMXKX-UHFFFAOYSA-N 1 0 402.455 0.489 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000571824057 1070733662 /nfs/dbraw/zinc/73/36/62/1070733662.db2.gz GWTNXQLJDQEMIO-CGTJXYLNSA-N 1 0 404.529 -0.442 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000571824058 1070733918 /nfs/dbraw/zinc/73/39/18/1070733918.db2.gz GWTNXQLJDQEMIO-JQHSSLGASA-N 1 0 404.529 -0.442 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000571824059 1070733811 /nfs/dbraw/zinc/73/38/11/1070733811.db2.gz GWTNXQLJDQEMIO-KBAYOESNSA-N 1 0 404.529 -0.442 20 0 HBADRO COCCN(C(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000571824060 1070733898 /nfs/dbraw/zinc/73/38/98/1070733898.db2.gz GWTNXQLJDQEMIO-NXHRZFHOSA-N 1 0 404.529 -0.442 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000571825027 1070733752 /nfs/dbraw/zinc/73/37/52/1070733752.db2.gz FAXHXYZANRABON-UHFFFAOYSA-N 1 0 412.516 -0.200 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1=O ZINC000571867621 1070735573 /nfs/dbraw/zinc/73/55/73/1070735573.db2.gz GUTNVFIJEMQUGT-DOTOQJQBSA-N 1 0 418.560 -0.658 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1=O ZINC000571867623 1070736264 /nfs/dbraw/zinc/73/62/64/1070736264.db2.gz GUTNVFIJEMQUGT-NVXWUHKLSA-N 1 0 418.560 -0.658 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1=O ZINC000571867625 1070736169 /nfs/dbraw/zinc/73/61/69/1070736169.db2.gz GUTNVFIJEMQUGT-RDJZCZTQSA-N 1 0 418.560 -0.658 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1=O ZINC000571867626 1070736084 /nfs/dbraw/zinc/73/60/84/1070736084.db2.gz GUTNVFIJEMQUGT-WBVHZDCISA-N 1 0 418.560 -0.658 20 0 HBADRO CC(C)Nc1nc(N[C@@H](CN2CCOCC2)c2ccccc2)nc(NCCO)[nH+]1 ZINC000571901549 1070735706 /nfs/dbraw/zinc/73/57/06/1070735706.db2.gz HIVFGZILKCVCED-KRWDZBQOSA-N 1 0 401.515 -0.153 20 0 HBADRO CC(C)Nc1nc(N[C@H](CN2CCOCC2)c2ccccc2)nc(NCCO)[nH+]1 ZINC000571901550 1070735644 /nfs/dbraw/zinc/73/56/44/1070735644.db2.gz HIVFGZILKCVCED-QGZVFWFLSA-N 1 0 401.515 -0.153 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000571917484 1070735516 /nfs/dbraw/zinc/73/55/16/1070735516.db2.gz PRKRIRMHWATLPD-DLBZAZTESA-N 1 0 403.483 -0.578 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000571917492 1070735688 /nfs/dbraw/zinc/73/56/88/1070735688.db2.gz PRKRIRMHWATLPD-IAGOWNOFSA-N 1 0 403.483 -0.578 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000571917496 1070735631 /nfs/dbraw/zinc/73/56/31/1070735631.db2.gz PRKRIRMHWATLPD-IRXDYDNUSA-N 1 0 403.483 -0.578 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000571917498 1070735679 /nfs/dbraw/zinc/73/56/79/1070735679.db2.gz PRKRIRMHWATLPD-SJORKVTESA-N 1 0 403.483 -0.578 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000571932658 1070738993 /nfs/dbraw/zinc/73/89/93/1070738993.db2.gz BWJJLTRKRICYAE-UHFFFAOYSA-N 1 0 415.516 -0.553 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000571940593 1070738969 /nfs/dbraw/zinc/73/89/69/1070738969.db2.gz XVMNKYQGUBPACM-CABCVRRESA-N 1 0 422.507 -0.136 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000571940595 1070739363 /nfs/dbraw/zinc/73/93/63/1070739363.db2.gz XVMNKYQGUBPACM-GJZGRUSLSA-N 1 0 422.507 -0.136 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000571940598 1070739473 /nfs/dbraw/zinc/73/94/73/1070739473.db2.gz XVMNKYQGUBPACM-HUUCEWRRSA-N 1 0 422.507 -0.136 20 0 HBADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000571940601 1070739577 /nfs/dbraw/zinc/73/95/77/1070739577.db2.gz XVMNKYQGUBPACM-LSDHHAIUSA-N 1 0 422.507 -0.136 20 0 HBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000571943838 1070740112 /nfs/dbraw/zinc/74/01/12/1070740112.db2.gz HCIDAWVJPVGJBS-UHFFFAOYSA-N 1 0 417.558 -0.095 20 0 HBADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H]1CCC(=O)N1 ZINC000571953612 1070740076 /nfs/dbraw/zinc/74/00/76/1070740076.db2.gz BWSAIDHPQAIKNC-CVEARBPZSA-N 1 0 407.515 -0.684 20 0 HBADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H]1CCC(=O)N1 ZINC000571953616 1070739995 /nfs/dbraw/zinc/73/99/95/1070739995.db2.gz BWSAIDHPQAIKNC-HOTGVXAUSA-N 1 0 407.515 -0.684 20 0 HBADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)N1)C(=O)[C@H]1CCC(=O)N1 ZINC000571953617 1070740164 /nfs/dbraw/zinc/74/01/64/1070740164.db2.gz BWSAIDHPQAIKNC-HZPDHXFCSA-N 1 0 407.515 -0.684 20 0 HBADRO CN(CCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)N1)C(=O)[C@@H]1CCC(=O)N1 ZINC000571953618 1070740054 /nfs/dbraw/zinc/74/00/54/1070740054.db2.gz BWSAIDHPQAIKNC-JKSUJKDBSA-N 1 0 407.515 -0.684 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000571961834 1070740692 /nfs/dbraw/zinc/74/06/92/1070740692.db2.gz OUABOHZQZRVKTH-HNNXBMFYSA-N 1 0 405.543 -0.212 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000571961835 1070740774 /nfs/dbraw/zinc/74/07/74/1070740774.db2.gz OUABOHZQZRVKTH-OAHLLOKOSA-N 1 0 405.543 -0.212 20 0 HBADRO CC(=O)NCC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCSCC1 ZINC000571982178 1070740621 /nfs/dbraw/zinc/74/06/21/1070740621.db2.gz USJGZSHWYDQXPP-UHFFFAOYSA-N 1 0 408.528 -0.233 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000572106505 1070751166 /nfs/dbraw/zinc/75/11/66/1070751166.db2.gz NZACLEPJZUFIMW-IBGZPJMESA-N 1 0 414.572 -0.461 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000572106508 1070751276 /nfs/dbraw/zinc/75/12/76/1070751276.db2.gz NZACLEPJZUFIMW-LJQANCHMSA-N 1 0 414.572 -0.461 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000572154922 1070750642 /nfs/dbraw/zinc/75/06/42/1070750642.db2.gz UGJFPQUYKUNBGJ-HNNXBMFYSA-N 1 0 404.533 -0.903 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000572154923 1070750720 /nfs/dbraw/zinc/75/07/20/1070750720.db2.gz UGJFPQUYKUNBGJ-OAHLLOKOSA-N 1 0 404.533 -0.903 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)C1=O ZINC000572199407 1070753980 /nfs/dbraw/zinc/75/39/80/1070753980.db2.gz SGIGRFWCBYGHCI-AWEZNQCLSA-N 1 0 400.439 -0.541 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)C1=O ZINC000572199408 1070753797 /nfs/dbraw/zinc/75/37/97/1070753797.db2.gz SGIGRFWCBYGHCI-CQSZACIVSA-N 1 0 400.439 -0.541 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000572208220 1070753811 /nfs/dbraw/zinc/75/38/11/1070753811.db2.gz AXVLHKBCXJEQRE-KRWDZBQOSA-N 1 0 419.592 -0.727 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000572208221 1070753950 /nfs/dbraw/zinc/75/39/50/1070753950.db2.gz AXVLHKBCXJEQRE-QGZVFWFLSA-N 1 0 419.592 -0.727 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)no1 ZINC000572286722 1069594950 /nfs/dbraw/zinc/59/49/50/1069594950.db2.gz XEFFTMTUINOKRK-HNNXBMFYSA-N 1 0 418.498 -0.168 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)no1 ZINC000572286723 1069595519 /nfs/dbraw/zinc/59/55/19/1069595519.db2.gz XEFFTMTUINOKRK-OAHLLOKOSA-N 1 0 418.498 -0.168 20 0 HBADRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1S(N)(=O)=O ZINC000572317597 1070754461 /nfs/dbraw/zinc/75/44/61/1070754461.db2.gz CUQKDZOREAEBCX-CYBMUJFWSA-N 1 0 413.500 -0.518 20 0 HBADRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1S(N)(=O)=O ZINC000572317598 1070754368 /nfs/dbraw/zinc/75/43/68/1070754368.db2.gz CUQKDZOREAEBCX-ZDUSSCGKSA-N 1 0 413.500 -0.518 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000572379713 1070756101 /nfs/dbraw/zinc/75/61/01/1070756101.db2.gz OLLBHRHOFUJQEB-PBHICJAKSA-N 1 0 424.523 -0.134 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000572379714 1070756124 /nfs/dbraw/zinc/75/61/24/1070756124.db2.gz OLLBHRHOFUJQEB-RHSMWYFYSA-N 1 0 424.523 -0.134 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000572379715 1070756303 /nfs/dbraw/zinc/75/63/03/1070756303.db2.gz OLLBHRHOFUJQEB-WMLDXEAASA-N 1 0 424.523 -0.134 20 0 HBADRO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000572379716 1070756237 /nfs/dbraw/zinc/75/62/37/1070756237.db2.gz OLLBHRHOFUJQEB-YOEHRIQHSA-N 1 0 424.523 -0.134 20 0 HBADRO COCCO[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000572389692 1070755685 /nfs/dbraw/zinc/75/56/85/1070755685.db2.gz CCBBHZSLFDHKHF-KRWDZBQOSA-N 1 0 412.531 -0.301 20 0 HBADRO COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000572389693 1070755503 /nfs/dbraw/zinc/75/55/03/1070755503.db2.gz CCBBHZSLFDHKHF-QGZVFWFLSA-N 1 0 412.531 -0.301 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)S(C)(=O)=O ZINC000572391725 1070755623 /nfs/dbraw/zinc/75/56/23/1070755623.db2.gz CBEGEKHZEJXIGJ-DOTOQJQBSA-N 1 0 411.524 -0.057 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)S(C)(=O)=O ZINC000572391726 1070755701 /nfs/dbraw/zinc/75/57/01/1070755701.db2.gz CBEGEKHZEJXIGJ-NVXWUHKLSA-N 1 0 411.524 -0.057 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)S(C)(=O)=O ZINC000572391727 1070755422 /nfs/dbraw/zinc/75/54/22/1070755422.db2.gz CBEGEKHZEJXIGJ-RDJZCZTQSA-N 1 0 411.524 -0.057 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)S(C)(=O)=O ZINC000572391728 1070755592 /nfs/dbraw/zinc/75/55/92/1070755592.db2.gz CBEGEKHZEJXIGJ-WBVHZDCISA-N 1 0 411.524 -0.057 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3ncccn3)CC2)ccn1 ZINC000572399739 1070755577 /nfs/dbraw/zinc/75/55/77/1070755577.db2.gz XUSUKPXAIPLAOG-UHFFFAOYSA-N 1 0 413.482 -0.223 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](CNS(=O)(=O)C4CC4)C3)c2c(=O)n(C)c1=O ZINC000572401736 1070756140 /nfs/dbraw/zinc/75/61/40/1070756140.db2.gz IEFZOBWZRFIFSY-CYBMUJFWSA-N 1 0 424.527 -0.773 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)c2c(=O)n(C)c1=O ZINC000572401741 1070756169 /nfs/dbraw/zinc/75/61/69/1070756169.db2.gz IEFZOBWZRFIFSY-ZDUSSCGKSA-N 1 0 424.527 -0.773 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCCO1 ZINC000572415738 1070756030 /nfs/dbraw/zinc/75/60/30/1070756030.db2.gz AZEAKWSGJJFSCP-CYBMUJFWSA-N 1 0 411.532 -0.614 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCCO1 ZINC000572415740 1069687925 /nfs/dbraw/zinc/68/79/25/1069687925.db2.gz AZEAKWSGJJFSCP-ZDUSSCGKSA-N 1 0 411.532 -0.614 20 0 HBADRO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)n1 ZINC000572493120 1070757589 /nfs/dbraw/zinc/75/75/89/1070757589.db2.gz WQZYZLODVMLSJZ-HNNXBMFYSA-N 1 0 421.546 -0.016 20 0 HBADRO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)n1 ZINC000572493121 1070757755 /nfs/dbraw/zinc/75/77/55/1070757755.db2.gz WQZYZLODVMLSJZ-OAHLLOKOSA-N 1 0 421.546 -0.016 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000572542525 1072131118 /nfs/dbraw/zinc/13/11/18/1072131118.db2.gz DMEAWJVFXRWKSU-GDBMZVCRSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000572542526 1072131088 /nfs/dbraw/zinc/13/10/88/1072131088.db2.gz DMEAWJVFXRWKSU-GOEBONIOSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000572542527 1070775939 /nfs/dbraw/zinc/77/59/39/1070775939.db2.gz DMEAWJVFXRWKSU-HOCLYGCPSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000572542528 1070776694 /nfs/dbraw/zinc/77/66/94/1070776694.db2.gz DMEAWJVFXRWKSU-ZBFHGGJFSA-N 1 0 408.480 -0.909 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000572547096 1072132938 /nfs/dbraw/zinc/13/29/38/1072132938.db2.gz ZUFULLROWQPEDW-UHFFFAOYSA-N 1 0 420.510 -0.188 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000572556290 1072138664 /nfs/dbraw/zinc/13/86/64/1072138664.db2.gz GKTZDVFXRZHEED-HNNXBMFYSA-N 1 0 404.515 -0.030 20 0 HBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000572556291 1072138585 /nfs/dbraw/zinc/13/85/85/1072138585.db2.gz GKTZDVFXRZHEED-OAHLLOKOSA-N 1 0 404.515 -0.030 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000572587857 1072170393 /nfs/dbraw/zinc/17/03/93/1072170393.db2.gz VKELLODYQOYMEB-UHFFFAOYSA-N 1 0 402.495 -0.132 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000572640961 1070780291 /nfs/dbraw/zinc/78/02/91/1070780291.db2.gz XQQWRGCPTRDMKX-UHFFFAOYSA-N 1 0 414.503 -0.003 20 0 HBADRO Cc1c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000572656051 1070781083 /nfs/dbraw/zinc/78/10/83/1070781083.db2.gz QGKXCKHCNHBVRS-UHFFFAOYSA-N 1 0 404.515 -0.104 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000572668625 1070780913 /nfs/dbraw/zinc/78/09/13/1070780913.db2.gz JZJSXSWGWLQIFO-UHFFFAOYSA-N 1 0 403.487 -0.421 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000572673602 1070781501 /nfs/dbraw/zinc/78/15/01/1070781501.db2.gz HQZAWFHMFOBBKJ-CVEARBPZSA-N 1 0 402.499 -0.024 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000572673603 1070781571 /nfs/dbraw/zinc/78/15/71/1070781571.db2.gz HQZAWFHMFOBBKJ-HOTGVXAUSA-N 1 0 402.499 -0.024 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000572673604 1070781581 /nfs/dbraw/zinc/78/15/81/1070781581.db2.gz HQZAWFHMFOBBKJ-HZPDHXFCSA-N 1 0 402.499 -0.024 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000572673605 1070781486 /nfs/dbraw/zinc/78/14/86/1070781486.db2.gz HQZAWFHMFOBBKJ-JKSUJKDBSA-N 1 0 402.499 -0.024 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CCCO1 ZINC000572675512 1070781447 /nfs/dbraw/zinc/78/14/47/1070781447.db2.gz RVFSLYNTTMIGMM-NJAFHUGGSA-N 1 0 407.515 -0.429 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CCCO1 ZINC000572675513 1070782071 /nfs/dbraw/zinc/78/20/71/1070782071.db2.gz RVFSLYNTTMIGMM-SZMVWBNQSA-N 1 0 407.515 -0.429 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000572678556 1070781910 /nfs/dbraw/zinc/78/19/10/1070781910.db2.gz XCYQDMPZYGFPNM-GOSISDBHSA-N 1 0 417.620 -0.867 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000572678557 1070782113 /nfs/dbraw/zinc/78/21/13/1070782113.db2.gz XCYQDMPZYGFPNM-SFHVURJKSA-N 1 0 417.620 -0.867 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)CCN2C1=O ZINC000572736325 1070782493 /nfs/dbraw/zinc/78/24/93/1070782493.db2.gz QAOKJSDUJTYKFN-DZGCQCFKSA-N 1 0 414.445 -0.139 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)CCN2C1=O ZINC000572736326 1070782595 /nfs/dbraw/zinc/78/25/95/1070782595.db2.gz QAOKJSDUJTYKFN-HIFRSBDPSA-N 1 0 414.445 -0.139 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)CCN2C1=O ZINC000572736327 1070782736 /nfs/dbraw/zinc/78/27/36/1070782736.db2.gz QAOKJSDUJTYKFN-UKRRQHHQSA-N 1 0 414.445 -0.139 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)CCN2C1=O ZINC000572736328 1070782554 /nfs/dbraw/zinc/78/25/54/1070782554.db2.gz QAOKJSDUJTYKFN-ZFWWWQNUSA-N 1 0 414.445 -0.139 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000572829793 1070783630 /nfs/dbraw/zinc/78/36/30/1070783630.db2.gz SDYFZMBNQWJQHY-UHFFFAOYSA-N 1 0 420.514 -0.626 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000572856692 1070785665 /nfs/dbraw/zinc/78/56/65/1070785665.db2.gz FNXIIKKMLLDUPT-GXTWGEPZSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000572856693 1070785336 /nfs/dbraw/zinc/78/53/36/1070785336.db2.gz FNXIIKKMLLDUPT-JSGCOSHPSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000572856694 1070785480 /nfs/dbraw/zinc/78/54/80/1070785480.db2.gz FNXIIKKMLLDUPT-OCCSQVGLSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000572856695 1070785643 /nfs/dbraw/zinc/78/56/43/1070785643.db2.gz FNXIIKKMLLDUPT-TZMCWYRMSA-N 1 0 400.888 -0.221 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572856751 1070785411 /nfs/dbraw/zinc/78/54/11/1070785411.db2.gz GOSWKDKCABQHIQ-AAEUAGOBSA-N 1 0 424.299 -0.252 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572856752 1070785549 /nfs/dbraw/zinc/78/55/49/1070785549.db2.gz GOSWKDKCABQHIQ-DGCLKSJQSA-N 1 0 424.299 -0.252 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572856754 1070785743 /nfs/dbraw/zinc/78/57/43/1070785743.db2.gz GOSWKDKCABQHIQ-WCQYABFASA-N 1 0 424.299 -0.252 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572856756 1070785433 /nfs/dbraw/zinc/78/54/33/1070785433.db2.gz GOSWKDKCABQHIQ-YPMHNXCESA-N 1 0 424.299 -0.252 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572900481 1070784855 /nfs/dbraw/zinc/78/48/55/1070784855.db2.gz GOPQBUNFXAMOAV-NXEZZACHSA-N 1 0 406.917 -0.208 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572900482 1070784941 /nfs/dbraw/zinc/78/49/41/1070784941.db2.gz GOPQBUNFXAMOAV-UWVGGRQHSA-N 1 0 406.917 -0.208 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572900483 1070785692 /nfs/dbraw/zinc/78/56/92/1070785692.db2.gz GOPQBUNFXAMOAV-VHSXEESVSA-N 1 0 406.917 -0.208 20 0 HBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572900484 1070785617 /nfs/dbraw/zinc/78/56/17/1070785617.db2.gz GOPQBUNFXAMOAV-ZJUUUORDSA-N 1 0 406.917 -0.208 20 0 HBADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000573027068 1070835316 /nfs/dbraw/zinc/83/53/16/1070835316.db2.gz KUOZPIKTHSUGSR-UHFFFAOYSA-N 1 0 411.524 -0.041 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000573028762 1070835361 /nfs/dbraw/zinc/83/53/61/1070835361.db2.gz XTFOMDWVOXJQHH-INIZCTEOSA-N 1 0 401.511 -0.213 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000573028764 1070835792 /nfs/dbraw/zinc/83/57/92/1070835792.db2.gz XTFOMDWVOXJQHH-MRXNPFEDSA-N 1 0 401.511 -0.213 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000573035251 1070835594 /nfs/dbraw/zinc/83/55/94/1070835594.db2.gz SGDXJSVXNQHOEV-KFWWJZLASA-N 1 0 403.545 -0.117 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000573035252 1070836789 /nfs/dbraw/zinc/83/67/89/1070836789.db2.gz SGDXJSVXNQHOEV-QLFBSQMISA-N 1 0 403.545 -0.117 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000573035253 1070836451 /nfs/dbraw/zinc/83/64/51/1070836451.db2.gz SGDXJSVXNQHOEV-RBSFLKMASA-N 1 0 403.545 -0.117 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000573035254 1070836335 /nfs/dbraw/zinc/83/63/35/1070836335.db2.gz SGDXJSVXNQHOEV-ZNMIVQPWSA-N 1 0 403.545 -0.117 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000573042216 1070837011 /nfs/dbraw/zinc/83/70/11/1070837011.db2.gz NZYQUCWNVCFEGE-HOTGVXAUSA-N 1 0 412.531 -0.254 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000573042217 1070837502 /nfs/dbraw/zinc/83/75/02/1070837502.db2.gz NZYQUCWNVCFEGE-HZPDHXFCSA-N 1 0 412.531 -0.254 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000573042218 1070837374 /nfs/dbraw/zinc/83/73/74/1070837374.db2.gz NZYQUCWNVCFEGE-IYBDPMFKSA-N 1 0 412.531 -0.254 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000573042318 1070837291 /nfs/dbraw/zinc/83/72/91/1070837291.db2.gz QSYDMSFESWHQLR-UHFFFAOYSA-N 1 0 405.503 -0.637 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCc2c(C)nc3ncnn3c2C)CC1=O ZINC000573099654 1070851474 /nfs/dbraw/zinc/85/14/74/1070851474.db2.gz HJZWZVAKAZOJMV-INIZCTEOSA-N 1 0 417.514 -0.031 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CCc2c(C)nc3ncnn3c2C)CC1=O ZINC000573099655 1070851921 /nfs/dbraw/zinc/85/19/21/1070851921.db2.gz HJZWZVAKAZOJMV-MRXNPFEDSA-N 1 0 417.514 -0.031 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000573099740 1070851570 /nfs/dbraw/zinc/85/15/70/1070851570.db2.gz OVAQVEFZUGRBKR-NRFANRHFSA-N 1 0 418.494 -0.388 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000573099741 1070851865 /nfs/dbraw/zinc/85/18/65/1070851865.db2.gz OVAQVEFZUGRBKR-OAQYLSRUSA-N 1 0 418.494 -0.388 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000573127399 1070851721 /nfs/dbraw/zinc/85/17/21/1070851721.db2.gz IZANEDCQIWQODI-BZUAXINKSA-N 1 0 402.499 -0.026 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000573127400 1070852186 /nfs/dbraw/zinc/85/21/86/1070852186.db2.gz IZANEDCQIWQODI-OAGGEKHMSA-N 1 0 402.499 -0.026 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000573127401 1070851784 /nfs/dbraw/zinc/85/17/84/1070851784.db2.gz IZANEDCQIWQODI-OWCLPIDISA-N 1 0 402.499 -0.026 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000573127402 1070851599 /nfs/dbraw/zinc/85/15/99/1070851599.db2.gz IZANEDCQIWQODI-PMPSAXMXSA-N 1 0 402.499 -0.026 20 0 HBADRO C[NH+](C)[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000573188495 1070855205 /nfs/dbraw/zinc/85/52/05/1070855205.db2.gz RLONHWAZXJJXFP-IRXDYDNUSA-N 1 0 412.512 -0.747 20 0 HBADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000573192966 1070855009 /nfs/dbraw/zinc/85/50/09/1070855009.db2.gz MWFXITYPHAWCFD-UHFFFAOYSA-N 1 0 402.499 -0.323 20 0 HBADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000573211348 1070855081 /nfs/dbraw/zinc/85/50/81/1070855081.db2.gz MPJMRTMSFZWAPP-UHFFFAOYSA-N 1 0 405.480 -0.265 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000573244369 1070861143 /nfs/dbraw/zinc/86/11/43/1070861143.db2.gz CPJSQBCMGJUBSO-UHFFFAOYSA-N 1 0 424.542 -0.299 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000573246578 1070861692 /nfs/dbraw/zinc/86/16/92/1070861692.db2.gz RNNJHBRCGYQBFF-JFIYKMOQSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000573246579 1070861041 /nfs/dbraw/zinc/86/10/41/1070861041.db2.gz RNNJHBRCGYQBFF-NUJGCVRESA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000573246580 1070860875 /nfs/dbraw/zinc/86/08/75/1070860875.db2.gz RNNJHBRCGYQBFF-RYRKJORJSA-N 1 0 405.543 -0.260 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000573246581 1070861405 /nfs/dbraw/zinc/86/14/05/1070861405.db2.gz RNNJHBRCGYQBFF-SOLBZPMBSA-N 1 0 405.543 -0.260 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000573268007 1070862621 /nfs/dbraw/zinc/86/26/21/1070862621.db2.gz WQORSSUFCQLACH-DOTOQJQBSA-N 1 0 406.508 -0.142 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000573268008 1070863199 /nfs/dbraw/zinc/86/31/99/1070863199.db2.gz WQORSSUFCQLACH-NVXWUHKLSA-N 1 0 406.508 -0.142 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000573268009 1070862720 /nfs/dbraw/zinc/86/27/20/1070862720.db2.gz WQORSSUFCQLACH-RDJZCZTQSA-N 1 0 406.508 -0.142 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCN2C1=O ZINC000573268010 1070862675 /nfs/dbraw/zinc/86/26/75/1070862675.db2.gz WQORSSUFCQLACH-WBVHZDCISA-N 1 0 406.508 -0.142 20 0 HBADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCn2cnnc2C1 ZINC000573271384 1070862944 /nfs/dbraw/zinc/86/29/44/1070862944.db2.gz JCWQTGOUGKGBLP-UHFFFAOYSA-N 1 0 411.510 -0.056 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000573271704 1070862861 /nfs/dbraw/zinc/86/28/61/1070862861.db2.gz XGZMCNIAQGKSLH-UHFFFAOYSA-N 1 0 419.526 -0.016 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000573282166 1070860313 /nfs/dbraw/zinc/86/03/13/1070860313.db2.gz SCULWUMMMZBKDK-CABCVRRESA-N 1 0 418.564 -0.714 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000573282167 1070860023 /nfs/dbraw/zinc/86/00/23/1070860023.db2.gz SCULWUMMMZBKDK-GJZGRUSLSA-N 1 0 418.564 -0.714 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000573282168 1070860553 /nfs/dbraw/zinc/86/05/53/1070860553.db2.gz SCULWUMMMZBKDK-HUUCEWRRSA-N 1 0 418.564 -0.714 20 0 HBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000573282169 1070860741 /nfs/dbraw/zinc/86/07/41/1070860741.db2.gz SCULWUMMMZBKDK-LSDHHAIUSA-N 1 0 418.564 -0.714 20 0 HBADRO CSC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000573339518 1070864249 /nfs/dbraw/zinc/86/42/49/1070864249.db2.gz NTNVYPHWCRRGNB-GZBLMMOJSA-N 1 0 408.524 -0.336 20 0 HBADRO CSC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000573339519 1070864678 /nfs/dbraw/zinc/86/46/78/1070864678.db2.gz NTNVYPHWCRRGNB-KJWHEZOQSA-N 1 0 408.524 -0.336 20 0 HBADRO CSC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000573339520 1070864149 /nfs/dbraw/zinc/86/41/49/1070864149.db2.gz NTNVYPHWCRRGNB-UXXRCYHCSA-N 1 0 408.524 -0.336 20 0 HBADRO CSC[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000573339521 1070864629 /nfs/dbraw/zinc/86/46/29/1070864629.db2.gz NTNVYPHWCRRGNB-VQJWOFKYSA-N 1 0 408.524 -0.336 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC(C)(CO)CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000573428604 1070866716 /nfs/dbraw/zinc/86/67/16/1070866716.db2.gz GRHGPWBFXDMDKY-INIZCTEOSA-N 1 0 406.483 -0.349 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC(C)(CO)CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000573428607 1070866509 /nfs/dbraw/zinc/86/65/09/1070866509.db2.gz GRHGPWBFXDMDKY-MRXNPFEDSA-N 1 0 406.483 -0.349 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C(=O)N3CCOCC3)CC1)c(=O)n2C ZINC000573495657 1070876883 /nfs/dbraw/zinc/87/68/83/1070876883.db2.gz HUIWAUOMPAMVCY-UHFFFAOYSA-N 1 0 418.498 -0.605 20 0 HBADRO COc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2=O)c(OC)c1 ZINC000573506911 1070877748 /nfs/dbraw/zinc/87/77/48/1070877748.db2.gz QLPCGXAUMBBBAP-IPYPFGDCSA-N 1 0 402.451 -0.173 20 0 HBADRO COc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2=O)c(OC)c1 ZINC000573506912 1070877691 /nfs/dbraw/zinc/87/76/91/1070877691.db2.gz QLPCGXAUMBBBAP-NFAWXSAZSA-N 1 0 402.451 -0.173 20 0 HBADRO COc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2=O)c(OC)c1 ZINC000573506913 1070877635 /nfs/dbraw/zinc/87/76/35/1070877635.db2.gz QLPCGXAUMBBBAP-UMVBOHGHSA-N 1 0 402.451 -0.173 20 0 HBADRO COc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2=O)c(OC)c1 ZINC000573506914 1070877468 /nfs/dbraw/zinc/87/74/68/1070877468.db2.gz QLPCGXAUMBBBAP-VNHYZAJKSA-N 1 0 402.451 -0.173 20 0 HBADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n(C)c2)C1 ZINC000573579602 1070878304 /nfs/dbraw/zinc/87/83/04/1070878304.db2.gz WHNSMESGDZMDBJ-FMKPAKJESA-N 1 0 423.539 -0.170 20 0 HBADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n(C)c2)C1 ZINC000573579607 1070878618 /nfs/dbraw/zinc/87/86/18/1070878618.db2.gz WHNSMESGDZMDBJ-IIAWOOMASA-N 1 0 423.539 -0.170 20 0 HBADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n(C)c2)C1 ZINC000573579608 1070878259 /nfs/dbraw/zinc/87/82/59/1070878259.db2.gz WHNSMESGDZMDBJ-IJEWVQPXSA-N 1 0 423.539 -0.170 20 0 HBADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n(C)c2)C1 ZINC000573579609 1070878893 /nfs/dbraw/zinc/87/88/93/1070878893.db2.gz WHNSMESGDZMDBJ-YCPHGPKFSA-N 1 0 423.539 -0.170 20 0 HBADRO COc1cc(OC)c(CCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000573589465 1070879339 /nfs/dbraw/zinc/87/93/39/1070879339.db2.gz GAZKMQZXYZBMHP-AWEZNQCLSA-N 1 0 408.499 -0.267 20 0 HBADRO COc1cc(OC)c(CCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OC)c1 ZINC000573589470 1070879665 /nfs/dbraw/zinc/87/96/65/1070879665.db2.gz GAZKMQZXYZBMHP-CQSZACIVSA-N 1 0 408.499 -0.267 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)ccn1 ZINC000573597474 1070879276 /nfs/dbraw/zinc/87/92/76/1070879276.db2.gz KDVMXLGSZFWVPJ-HNNXBMFYSA-N 1 0 406.487 -0.455 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)ccn1 ZINC000573597493 1070879193 /nfs/dbraw/zinc/87/91/93/1070879193.db2.gz KDVMXLGSZFWVPJ-OAHLLOKOSA-N 1 0 406.487 -0.455 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)N1CCOCC1 ZINC000573598386 1070879588 /nfs/dbraw/zinc/87/95/88/1070879588.db2.gz YXJHUYGSLVJHKW-KRWDZBQOSA-N 1 0 412.531 -0.254 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)N1CCOCC1 ZINC000573598388 1070879630 /nfs/dbraw/zinc/87/96/30/1070879630.db2.gz YXJHUYGSLVJHKW-QGZVFWFLSA-N 1 0 412.531 -0.254 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000573613842 1070880081 /nfs/dbraw/zinc/88/00/81/1070880081.db2.gz YYPXGGFAZWQBRR-UHFFFAOYSA-N 1 0 414.510 -0.457 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000573707594 1070884509 /nfs/dbraw/zinc/88/45/09/1070884509.db2.gz CZKYZHRUXNCBCI-AWEZNQCLSA-N 1 0 403.483 -0.717 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC(=O)N1C ZINC000573707595 1070884822 /nfs/dbraw/zinc/88/48/22/1070884822.db2.gz CZKYZHRUXNCBCI-CQSZACIVSA-N 1 0 403.483 -0.717 20 0 HBADRO Cn1cc([C@H]2[C@H](C(=O)NCc3ccncc3OCC[NH+](C)C)OCC(=O)N2C)cn1 ZINC000573790046 1070887113 /nfs/dbraw/zinc/88/71/13/1070887113.db2.gz ABZQXQGXZUSDKO-RBUKOAKNSA-N 1 0 416.482 -0.030 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000573821903 1070885545 /nfs/dbraw/zinc/88/55/45/1070885545.db2.gz BBDDUSJEWJXJTO-UHFFFAOYSA-N 1 0 420.510 -0.003 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000573822370 1070885225 /nfs/dbraw/zinc/88/52/25/1070885225.db2.gz OARDWNLWODKKNP-UHFFFAOYSA-N 1 0 407.490 -0.346 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)on1 ZINC000573826146 1070886424 /nfs/dbraw/zinc/88/64/24/1070886424.db2.gz OPDIARBHDOKRLU-INIZCTEOSA-N 1 0 420.514 -0.669 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)on1 ZINC000573826147 1070886269 /nfs/dbraw/zinc/88/62/69/1070886269.db2.gz OPDIARBHDOKRLU-MRXNPFEDSA-N 1 0 420.514 -0.669 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000573863278 1070887942 /nfs/dbraw/zinc/88/79/42/1070887942.db2.gz MTWPKLXIBIMNND-GDBMZVCRSA-N 1 0 424.498 -0.003 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000573863279 1070887573 /nfs/dbraw/zinc/88/75/73/1070887573.db2.gz MTWPKLXIBIMNND-GOEBONIOSA-N 1 0 424.498 -0.003 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000573863280 1070887789 /nfs/dbraw/zinc/88/77/89/1070887789.db2.gz MTWPKLXIBIMNND-HOCLYGCPSA-N 1 0 424.498 -0.003 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000573863281 1070888242 /nfs/dbraw/zinc/88/82/42/1070888242.db2.gz MTWPKLXIBIMNND-ZBFHGGJFSA-N 1 0 424.498 -0.003 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N([C@@H]3CCS(=O)(=O)C3)C3CCCCC3)CCN2C1=O ZINC000573863804 1070887712 /nfs/dbraw/zinc/88/77/12/1070887712.db2.gz ZACONSNJHFPPJR-BRWVUGGUSA-N 1 0 412.556 -0.421 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N([C@H]3CCS(=O)(=O)C3)C3CCCCC3)CCN2C1=O ZINC000573863805 1070887893 /nfs/dbraw/zinc/88/78/93/1070887893.db2.gz ZACONSNJHFPPJR-GVDBMIGSSA-N 1 0 412.556 -0.421 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N([C@@H]3CCS(=O)(=O)C3)C3CCCCC3)CCN2C1=O ZINC000573863806 1070887993 /nfs/dbraw/zinc/88/79/93/1070887993.db2.gz ZACONSNJHFPPJR-IXDOHACOSA-N 1 0 412.556 -0.421 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N([C@H]3CCS(=O)(=O)C3)C3CCCCC3)CCN2C1=O ZINC000573863807 1070887855 /nfs/dbraw/zinc/88/78/55/1070887855.db2.gz ZACONSNJHFPPJR-YESZJQIVSA-N 1 0 412.556 -0.421 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000573877357 1070888049 /nfs/dbraw/zinc/88/80/49/1070888049.db2.gz YLASSARPPLLHJC-INIZCTEOSA-N 1 0 404.515 -0.030 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000573877358 1070887610 /nfs/dbraw/zinc/88/76/10/1070887610.db2.gz YLASSARPPLLHJC-MRXNPFEDSA-N 1 0 404.515 -0.030 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCc2ccc(C(N)=O)nc2)ccn1 ZINC000573953961 1070898102 /nfs/dbraw/zinc/89/81/02/1070898102.db2.gz FKHQNDKBBGJHRA-UHFFFAOYSA-N 1 0 400.439 -0.552 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000574065199 1070903498 /nfs/dbraw/zinc/90/34/98/1070903498.db2.gz VDODRDOSBJSXGU-KRWDZBQOSA-N 1 0 417.510 -0.211 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000574065203 1070903483 /nfs/dbraw/zinc/90/34/83/1070903483.db2.gz VDODRDOSBJSXGU-QGZVFWFLSA-N 1 0 417.510 -0.211 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]2CO)cn1 ZINC000574066127 1070903127 /nfs/dbraw/zinc/90/31/27/1070903127.db2.gz UYYQCKFKVFGHRD-ROUUACIJSA-N 1 0 419.526 -0.284 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000574066958 1070903414 /nfs/dbraw/zinc/90/34/14/1070903414.db2.gz YAIWZDJEGMUYBS-AWEZNQCLSA-N 1 0 417.532 -0.222 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000574074105 1070903204 /nfs/dbraw/zinc/90/32/04/1070903204.db2.gz YMAVIYOEBKRMIA-HNNXBMFYSA-N 1 0 408.503 -0.936 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000574074141 1070903388 /nfs/dbraw/zinc/90/33/88/1070903388.db2.gz YMAVIYOEBKRMIA-OAHLLOKOSA-N 1 0 408.503 -0.936 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)CC1 ZINC000574103133 1070905313 /nfs/dbraw/zinc/90/53/13/1070905313.db2.gz QIRQZLXOSJXHAM-UHFFFAOYSA-N 1 0 410.544 -0.607 20 0 HBADRO C[NH+](C)[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1O ZINC000574141998 1070907657 /nfs/dbraw/zinc/90/76/57/1070907657.db2.gz YDZBEMWBUZFBLJ-IRXDYDNUSA-N 1 0 412.512 -0.747 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1F ZINC000574207609 1069566887 /nfs/dbraw/zinc/56/68/87/1069566887.db2.gz RBFBRZSMRZKEKL-UHFFFAOYSA-N 1 0 412.447 0.069 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000574214610 1070909467 /nfs/dbraw/zinc/90/94/67/1070909467.db2.gz UDENROADKJNDDV-KRWDZBQOSA-N 1 0 406.458 -0.053 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000574214611 1070909731 /nfs/dbraw/zinc/90/97/31/1070909731.db2.gz UDENROADKJNDDV-QGZVFWFLSA-N 1 0 406.458 -0.053 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C[NH+](C)C ZINC000574297623 1070917207 /nfs/dbraw/zinc/91/72/07/1070917207.db2.gz AXLKEIKOQLNAKH-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C[NH+](C)C ZINC000574297624 1070917154 /nfs/dbraw/zinc/91/71/54/1070917154.db2.gz AXLKEIKOQLNAKH-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000574300104 1070917227 /nfs/dbraw/zinc/91/72/27/1070917227.db2.gz KWVXZFNDIYPJLG-GOSISDBHSA-N 1 0 423.558 -0.630 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000574300105 1070916983 /nfs/dbraw/zinc/91/69/83/1070916983.db2.gz KWVXZFNDIYPJLG-SFHVURJKSA-N 1 0 423.558 -0.630 20 0 HBADRO COCCN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000574300321 1070917182 /nfs/dbraw/zinc/91/71/82/1070917182.db2.gz AALAZIBQPLKXHC-KRWDZBQOSA-N 1 0 405.499 -0.287 20 0 HBADRO COCCN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000574300322 1070917273 /nfs/dbraw/zinc/91/72/73/1070917273.db2.gz AALAZIBQPLKXHC-QGZVFWFLSA-N 1 0 405.499 -0.287 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000574320192 1070917807 /nfs/dbraw/zinc/91/78/07/1070917807.db2.gz KXXNJPPVZUZPGH-INIZCTEOSA-N 1 0 420.514 -0.628 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000574320193 1070918008 /nfs/dbraw/zinc/91/80/08/1070918008.db2.gz KXXNJPPVZUZPGH-MRXNPFEDSA-N 1 0 420.514 -0.628 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(=O)n(C)c1=O ZINC000574423435 1070924663 /nfs/dbraw/zinc/92/46/63/1070924663.db2.gz TZBDNUHEXCOKMG-UHFFFAOYSA-N 1 0 422.507 -0.481 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)c(=O)n(C)c1=O ZINC000574480290 1070927189 /nfs/dbraw/zinc/92/71/89/1070927189.db2.gz PWYJFUAMMUBCMY-UHFFFAOYSA-N 1 0 411.484 -0.712 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](CO)O1 ZINC000574482667 1070927428 /nfs/dbraw/zinc/92/74/28/1070927428.db2.gz SMFFZJYJZSKYGX-GDBMZVCRSA-N 1 0 412.531 -0.663 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](CO)O1 ZINC000574482668 1070927231 /nfs/dbraw/zinc/92/72/31/1070927231.db2.gz SMFFZJYJZSKYGX-GOEBONIOSA-N 1 0 412.531 -0.663 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](CO)O1 ZINC000574482669 1070927463 /nfs/dbraw/zinc/92/74/63/1070927463.db2.gz SMFFZJYJZSKYGX-HOCLYGCPSA-N 1 0 412.531 -0.663 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](CO)O1 ZINC000574482670 1070928091 /nfs/dbraw/zinc/92/80/91/1070928091.db2.gz SMFFZJYJZSKYGX-ZBFHGGJFSA-N 1 0 412.531 -0.663 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1=O ZINC000574506459 1070932166 /nfs/dbraw/zinc/93/21/66/1070932166.db2.gz HMXGOIMNDONQCC-AWEZNQCLSA-N 1 0 417.466 -0.603 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1=O ZINC000574506462 1070933057 /nfs/dbraw/zinc/93/30/57/1070933057.db2.gz HMXGOIMNDONQCC-CQSZACIVSA-N 1 0 417.466 -0.603 20 0 HBADRO Cc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)c1 ZINC000574526948 1070931515 /nfs/dbraw/zinc/93/15/15/1070931515.db2.gz KUXXDFDYBVZCET-PMACEKPBSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)c1 ZINC000574526950 1070931280 /nfs/dbraw/zinc/93/12/80/1070931280.db2.gz KUXXDFDYBVZCET-UXHICEINSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N2CCOCC2)c1 ZINC000574526952 1070931593 /nfs/dbraw/zinc/93/15/93/1070931593.db2.gz KUXXDFDYBVZCET-VQTJNVASSA-N 1 0 417.554 -0.153 20 0 HBADRO Cc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N2CCOCC2)c1 ZINC000574526953 1070931375 /nfs/dbraw/zinc/93/13/75/1070931375.db2.gz KUXXDFDYBVZCET-WOJBJXKFSA-N 1 0 417.554 -0.153 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCN2C1=O ZINC000574531430 1070931631 /nfs/dbraw/zinc/93/16/31/1070931631.db2.gz CMPGPZGUPCMSPB-DZGCQCFKSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCN2C1=O ZINC000574531431 1070931331 /nfs/dbraw/zinc/93/13/31/1070931331.db2.gz CMPGPZGUPCMSPB-HIFRSBDPSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCN2C1=O ZINC000574531432 1070932272 /nfs/dbraw/zinc/93/22/72/1070932272.db2.gz CMPGPZGUPCMSPB-UKRRQHHQSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCN2C1=O ZINC000574531433 1070932493 /nfs/dbraw/zinc/93/24/93/1070932493.db2.gz CMPGPZGUPCMSPB-ZFWWWQNUSA-N 1 0 408.480 -0.909 20 0 HBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000574532488 1070932350 /nfs/dbraw/zinc/93/23/50/1070932350.db2.gz NABRWQJJECLGEP-CHWSQXEVSA-N 1 0 401.510 -0.361 20 0 HBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000574532490 1070932125 /nfs/dbraw/zinc/93/21/25/1070932125.db2.gz NABRWQJJECLGEP-OLZOCXBDSA-N 1 0 401.510 -0.361 20 0 HBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000574532492 1070932427 /nfs/dbraw/zinc/93/24/27/1070932427.db2.gz NABRWQJJECLGEP-QWHCGFSZSA-N 1 0 401.510 -0.361 20 0 HBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000574532493 1070932315 /nfs/dbraw/zinc/93/23/15/1070932315.db2.gz NABRWQJJECLGEP-STQMWFEESA-N 1 0 401.510 -0.361 20 0 HBADRO Cc1cc(NC(=O)CSCC(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)no1 ZINC000574539930 1069599852 /nfs/dbraw/zinc/59/98/52/1069599852.db2.gz NJSZIMHDFBBHRL-AWEZNQCLSA-N 1 0 409.512 0.466 20 0 HBADRO Cc1cc(NC(=O)CSCC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)no1 ZINC000574539931 1069599696 /nfs/dbraw/zinc/59/96/96/1069599696.db2.gz NJSZIMHDFBBHRL-CQSZACIVSA-N 1 0 409.512 0.466 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1)[N@H+](C)C1CC1 ZINC000574553110 1070934212 /nfs/dbraw/zinc/93/42/12/1070934212.db2.gz AZVOLLNFGSNZRJ-DOMZBBRYSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1)[N@H+](C)C1CC1 ZINC000574553115 1070933941 /nfs/dbraw/zinc/93/39/41/1070933941.db2.gz AZVOLLNFGSNZRJ-IUODEOHRSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1)[N@H+](C)C1CC1 ZINC000574553116 1070934123 /nfs/dbraw/zinc/93/41/23/1070934123.db2.gz AZVOLLNFGSNZRJ-SWLSCSKDSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1)[N@H+](C)C1CC1 ZINC000574553118 1070933784 /nfs/dbraw/zinc/93/37/84/1070933784.db2.gz AZVOLLNFGSNZRJ-WFASDCNBSA-N 1 0 417.470 -0.031 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000574553491 1070934152 /nfs/dbraw/zinc/93/41/52/1070934152.db2.gz GXJKGFYTFCVWSE-UHFFFAOYSA-N 1 0 418.542 -0.323 20 0 HBADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000574562748 1069598298 /nfs/dbraw/zinc/59/82/98/1069598298.db2.gz GZPPVQGUBYFLKX-OAHLLOKOSA-N 1 0 408.503 -0.083 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000574577115 1070934201 /nfs/dbraw/zinc/93/42/01/1070934201.db2.gz NTCBRFHTLMJMSX-OAHLLOKOSA-N 1 0 416.544 -0.712 20 0 HBADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1F ZINC000574713165 1070936509 /nfs/dbraw/zinc/93/65/09/1070936509.db2.gz BSSRWMAPRUATHQ-UHFFFAOYSA-N 1 0 419.501 -0.074 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCC1 ZINC000574726848 1070936002 /nfs/dbraw/zinc/93/60/02/1070936002.db2.gz RWNROMQVKYLDTI-DLBZAZTESA-N 1 0 407.559 -0.107 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCC1 ZINC000574726851 1070935866 /nfs/dbraw/zinc/93/58/66/1070935866.db2.gz RWNROMQVKYLDTI-IAGOWNOFSA-N 1 0 407.559 -0.107 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCC1 ZINC000574726853 1070936210 /nfs/dbraw/zinc/93/62/10/1070936210.db2.gz RWNROMQVKYLDTI-IRXDYDNUSA-N 1 0 407.559 -0.107 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCC1 ZINC000574726855 1070936560 /nfs/dbraw/zinc/93/65/60/1070936560.db2.gz RWNROMQVKYLDTI-SJORKVTESA-N 1 0 407.559 -0.107 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574780952 1070942907 /nfs/dbraw/zinc/94/29/07/1070942907.db2.gz BVEXEWVKEMUYQL-GXTWGEPZSA-N 1 0 420.432 -0.117 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574780953 1070943023 /nfs/dbraw/zinc/94/30/23/1070943023.db2.gz BVEXEWVKEMUYQL-JSGCOSHPSA-N 1 0 420.432 -0.117 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574780954 1070943109 /nfs/dbraw/zinc/94/31/09/1070943109.db2.gz BVEXEWVKEMUYQL-OCCSQVGLSA-N 1 0 420.432 -0.117 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574780955 1070942836 /nfs/dbraw/zinc/94/28/36/1070942836.db2.gz BVEXEWVKEMUYQL-TZMCWYRMSA-N 1 0 420.432 -0.117 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000574817425 1070943796 /nfs/dbraw/zinc/94/37/96/1070943796.db2.gz MDZCRYULPHOOJJ-INIZCTEOSA-N 1 0 404.515 -0.683 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000574817427 1070943692 /nfs/dbraw/zinc/94/36/92/1070943692.db2.gz MDZCRYULPHOOJJ-MRXNPFEDSA-N 1 0 404.515 -0.683 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1C ZINC000574827570 1069567769 /nfs/dbraw/zinc/56/77/69/1069567769.db2.gz OXJUREGVYHWVCD-UHFFFAOYSA-N 1 0 408.484 0.238 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000575086114 1070951377 /nfs/dbraw/zinc/95/13/77/1070951377.db2.gz HXKMGWOSCRNADQ-UHFFFAOYSA-N 1 0 412.512 -0.463 20 0 HBADRO CC[C@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C(=O)N1CCOCC1 ZINC000575086420 1070951318 /nfs/dbraw/zinc/95/13/18/1070951318.db2.gz OVKUHLMDFNMEMP-INIZCTEOSA-N 1 0 421.498 -0.608 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C(=O)N1CCOCC1 ZINC000575086421 1070951212 /nfs/dbraw/zinc/95/12/12/1070951212.db2.gz OVKUHLMDFNMEMP-MRXNPFEDSA-N 1 0 421.498 -0.608 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCN3CCCC3=O)cn2)CC1 ZINC000575128175 1070950725 /nfs/dbraw/zinc/95/07/25/1070950725.db2.gz CNAKWDWCPMBAOE-UHFFFAOYSA-N 1 0 402.499 -0.422 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000575159083 1070952750 /nfs/dbraw/zinc/95/27/50/1070952750.db2.gz MWZOVJUMEHSEAD-KRWDZBQOSA-N 1 0 418.542 -0.087 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000575159084 1070952894 /nfs/dbraw/zinc/95/28/94/1070952894.db2.gz MWZOVJUMEHSEAD-QGZVFWFLSA-N 1 0 418.542 -0.087 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)n2)CC1 ZINC000575191039 1070952039 /nfs/dbraw/zinc/95/20/39/1070952039.db2.gz IZHYENKCQKLMNN-UHFFFAOYSA-N 1 0 414.532 -0.078 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000575215420 1070952705 /nfs/dbraw/zinc/95/27/05/1070952705.db2.gz NEBIRJDYOFWWHW-UHFFFAOYSA-N 1 0 415.560 -0.009 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)no1 ZINC000575819762 1069594327 /nfs/dbraw/zinc/59/43/27/1069594327.db2.gz HNNMGAMNOBDWHF-OAHLLOKOSA-N 1 0 418.498 -0.334 20 0 HBADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000577684487 1069735363 /nfs/dbraw/zinc/73/53/63/1069735363.db2.gz HYBQMPKPINJPAY-AWEZNQCLSA-N 1 0 409.512 -0.791 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000577872144 1069676770 /nfs/dbraw/zinc/67/67/70/1069676770.db2.gz WAQTTXVLAKETMW-CYBMUJFWSA-N 1 0 411.532 -0.758 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000577872145 1069676566 /nfs/dbraw/zinc/67/65/66/1069676566.db2.gz WAQTTXVLAKETMW-ZDUSSCGKSA-N 1 0 411.532 -0.758 20 0 HBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)n1 ZINC000578095305 1069695522 /nfs/dbraw/zinc/69/55/22/1069695522.db2.gz JDKGRBOEBYHGQS-KGLIPLIRSA-N 1 0 423.543 -0.737 20 0 HBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)n1 ZINC000578095307 1069695140 /nfs/dbraw/zinc/69/51/40/1069695140.db2.gz JDKGRBOEBYHGQS-ZIAGYGMSSA-N 1 0 423.543 -0.737 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000578787635 1070403950 /nfs/dbraw/zinc/40/39/50/1070403950.db2.gz VUQBOEHONJNIJW-DOMZBBRYSA-N 1 0 414.509 -0.940 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000578787636 1070403836 /nfs/dbraw/zinc/40/38/36/1070403836.db2.gz VUQBOEHONJNIJW-IUODEOHRSA-N 1 0 414.509 -0.940 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000578787637 1070404139 /nfs/dbraw/zinc/40/41/39/1070404139.db2.gz VUQBOEHONJNIJW-SWLSCSKDSA-N 1 0 414.509 -0.940 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000578787638 1070404062 /nfs/dbraw/zinc/40/40/62/1070404062.db2.gz VUQBOEHONJNIJW-WFASDCNBSA-N 1 0 414.509 -0.940 20 0 HBADRO COCCNC(=O)CSc1ccccc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579377552 1070653393 /nfs/dbraw/zinc/65/33/93/1070653393.db2.gz SFHFYEIDULJVAJ-DZGCQCFKSA-N 1 0 406.508 -0.075 20 0 HBADRO COCCNC(=O)CSc1ccccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579377553 1070653672 /nfs/dbraw/zinc/65/36/72/1070653672.db2.gz SFHFYEIDULJVAJ-HIFRSBDPSA-N 1 0 406.508 -0.075 20 0 HBADRO COCCNC(=O)CSc1ccccc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579377554 1070653655 /nfs/dbraw/zinc/65/36/55/1070653655.db2.gz SFHFYEIDULJVAJ-UKRRQHHQSA-N 1 0 406.508 -0.075 20 0 HBADRO COCCNC(=O)CSc1ccccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579377555 1070653460 /nfs/dbraw/zinc/65/34/60/1070653460.db2.gz SFHFYEIDULJVAJ-ZFWWWQNUSA-N 1 0 406.508 -0.075 20 0 HBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000579744700 1068212325 /nfs/dbraw/zinc/21/23/25/1068212325.db2.gz KIINOGGWSFJYQQ-INIZCTEOSA-N 1 0 402.499 -0.423 20 0 HBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000579744705 1068212341 /nfs/dbraw/zinc/21/23/41/1068212341.db2.gz KIINOGGWSFJYQQ-MRXNPFEDSA-N 1 0 402.499 -0.423 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000579746627 1068212787 /nfs/dbraw/zinc/21/27/87/1068212787.db2.gz UBLNSWREVOLCGQ-UHFFFAOYSA-N 1 0 408.478 -0.119 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000579757085 1068214872 /nfs/dbraw/zinc/21/48/72/1068214872.db2.gz YDMWKTLQHCGMNU-INIZCTEOSA-N 1 0 404.515 -0.028 20 0 HBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000579757086 1068214982 /nfs/dbraw/zinc/21/49/82/1068214982.db2.gz YDMWKTLQHCGMNU-MRXNPFEDSA-N 1 0 404.515 -0.028 20 0 HBADRO CO[C@H](CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000579760402 1068215452 /nfs/dbraw/zinc/21/54/52/1068215452.db2.gz ZLMFYIPVMWTMQT-CYBMUJFWSA-N 1 0 408.421 -0.163 20 0 HBADRO CO[C@@H](CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000579760405 1068215534 /nfs/dbraw/zinc/21/55/34/1068215534.db2.gz ZLMFYIPVMWTMQT-ZDUSSCGKSA-N 1 0 408.421 -0.163 20 0 HBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000579763133 1068217446 /nfs/dbraw/zinc/21/74/46/1068217446.db2.gz RDRKBYMRXHADBQ-QGZVFWFLSA-N 1 0 410.540 -0.053 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC(=O)N1C ZINC000579764947 1068217550 /nfs/dbraw/zinc/21/75/50/1068217550.db2.gz PYQZWEDSNHHDNZ-CYJAXWMASA-N 1 0 416.526 -0.022 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC(=O)N1C ZINC000579764949 1068217938 /nfs/dbraw/zinc/21/79/38/1068217938.db2.gz PYQZWEDSNHHDNZ-OAFZBRQQSA-N 1 0 416.526 -0.022 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC(=O)N1C ZINC000579764950 1068218082 /nfs/dbraw/zinc/21/80/82/1068218082.db2.gz PYQZWEDSNHHDNZ-WFXMFSGNSA-N 1 0 416.526 -0.022 20 0 HBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC(=O)N1C ZINC000579764951 1068218269 /nfs/dbraw/zinc/21/82/69/1068218269.db2.gz PYQZWEDSNHHDNZ-YKTARERQSA-N 1 0 416.526 -0.022 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000579766279 1068218702 /nfs/dbraw/zinc/21/87/02/1068218702.db2.gz LQVZNTWOLWJAMT-CVEARBPZSA-N 1 0 404.581 -0.418 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000579766280 1068218590 /nfs/dbraw/zinc/21/85/90/1068218590.db2.gz LQVZNTWOLWJAMT-HOTGVXAUSA-N 1 0 404.581 -0.418 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000579766282 1068218951 /nfs/dbraw/zinc/21/89/51/1068218951.db2.gz LQVZNTWOLWJAMT-HZPDHXFCSA-N 1 0 404.581 -0.418 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000579766283 1068218659 /nfs/dbraw/zinc/21/86/59/1068218659.db2.gz LQVZNTWOLWJAMT-JKSUJKDBSA-N 1 0 404.581 -0.418 20 0 HBADRO Cc1ccc(CN(CCO)C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)o1 ZINC000579816973 1068234947 /nfs/dbraw/zinc/23/49/47/1068234947.db2.gz AVAWOGIFPSXFGD-UHFFFAOYSA-N 1 0 408.499 -0.032 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000579858732 1068259341 /nfs/dbraw/zinc/25/93/41/1068259341.db2.gz RMGWEXFOYPDUAI-MOPGFXCFSA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000579858733 1068259609 /nfs/dbraw/zinc/25/96/09/1068259609.db2.gz RMGWEXFOYPDUAI-OALUTQOASA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000579858734 1068260593 /nfs/dbraw/zinc/26/05/93/1068260593.db2.gz RMGWEXFOYPDUAI-RBUKOAKNSA-N 1 0 406.527 -0.573 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000579858735 1068260147 /nfs/dbraw/zinc/26/01/47/1068260147.db2.gz RMGWEXFOYPDUAI-RTBURBONSA-N 1 0 406.527 -0.573 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000579862155 1068261035 /nfs/dbraw/zinc/26/10/35/1068261035.db2.gz LHWJLFZYKZEXRY-KRWDZBQOSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000579862156 1068261128 /nfs/dbraw/zinc/26/11/28/1068261128.db2.gz LHWJLFZYKZEXRY-QGZVFWFLSA-N 1 0 423.558 -0.774 20 0 HBADRO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NCC[NH+](C)C ZINC000579863682 1068262305 /nfs/dbraw/zinc/26/23/05/1068262305.db2.gz HXEVQLYAFANSHB-AWEZNQCLSA-N 1 0 411.528 -0.335 20 0 HBADRO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NCC[NH+](C)C ZINC000579863683 1068262609 /nfs/dbraw/zinc/26/26/09/1068262609.db2.gz HXEVQLYAFANSHB-CQSZACIVSA-N 1 0 411.528 -0.335 20 0 HBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC2)n1 ZINC000579870293 1068264873 /nfs/dbraw/zinc/26/48/73/1068264873.db2.gz PBJRBPQGWRAUDS-UHFFFAOYSA-N 1 0 408.503 -0.392 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)C2)CC1 ZINC000579874336 1068266069 /nfs/dbraw/zinc/26/60/69/1068266069.db2.gz JABRBLDITPCPNI-FGTMMUONSA-N 1 0 405.543 -0.117 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)C2)CC1 ZINC000579874341 1068266102 /nfs/dbraw/zinc/26/61/02/1068266102.db2.gz JABRBLDITPCPNI-KURKYZTESA-N 1 0 405.543 -0.117 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)C2)CC1 ZINC000579874343 1068266137 /nfs/dbraw/zinc/26/61/37/1068266137.db2.gz JABRBLDITPCPNI-KZNAEPCWSA-N 1 0 405.543 -0.117 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)C2)CC1 ZINC000579874344 1068266307 /nfs/dbraw/zinc/26/63/07/1068266307.db2.gz JABRBLDITPCPNI-SQNIBIBYSA-N 1 0 405.543 -0.117 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000579882122 1068273557 /nfs/dbraw/zinc/27/35/57/1068273557.db2.gz REPGKMBXVXUUGR-AWEZNQCLSA-N 1 0 421.464 -0.248 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000579882123 1068273733 /nfs/dbraw/zinc/27/37/33/1068273733.db2.gz REPGKMBXVXUUGR-CQSZACIVSA-N 1 0 421.464 -0.248 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000579882684 1068278512 /nfs/dbraw/zinc/27/85/12/1068278512.db2.gz UNYCYFGZXGMIDT-BBWFWOEESA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000579882685 1068278187 /nfs/dbraw/zinc/27/81/87/1068278187.db2.gz UNYCYFGZXGMIDT-BRWVUGGUSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000579882686 1068278119 /nfs/dbraw/zinc/27/81/19/1068278119.db2.gz UNYCYFGZXGMIDT-GVDBMIGSSA-N 1 0 405.543 -0.117 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000579882687 1068278436 /nfs/dbraw/zinc/27/84/36/1068278436.db2.gz UNYCYFGZXGMIDT-ZACQAIPSSA-N 1 0 405.543 -0.117 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000579892144 1068297529 /nfs/dbraw/zinc/29/75/29/1068297529.db2.gz YQZXCMMBUNELEM-PBHICJAKSA-N 1 0 423.539 -0.032 20 0 HBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000579892145 1068297262 /nfs/dbraw/zinc/29/72/62/1068297262.db2.gz YQZXCMMBUNELEM-RHSMWYFYSA-N 1 0 423.539 -0.032 20 0 HBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000579892146 1068297155 /nfs/dbraw/zinc/29/71/55/1068297155.db2.gz YQZXCMMBUNELEM-WMLDXEAASA-N 1 0 423.539 -0.032 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000579892147 1068297463 /nfs/dbraw/zinc/29/74/63/1068297463.db2.gz YQZXCMMBUNELEM-YOEHRIQHSA-N 1 0 423.539 -0.032 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCN2C1=O ZINC000579973290 1068345270 /nfs/dbraw/zinc/34/52/70/1068345270.db2.gz YLQMDXPGAIHKJQ-HZMBPMFUSA-N 1 0 402.423 -0.596 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCN2C1=O ZINC000579973291 1068345106 /nfs/dbraw/zinc/34/51/06/1068345106.db2.gz YLQMDXPGAIHKJQ-IINYFYTJSA-N 1 0 402.423 -0.596 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCN2C1=O ZINC000579973292 1068345852 /nfs/dbraw/zinc/34/58/52/1068345852.db2.gz YLQMDXPGAIHKJQ-QMTHXVAHSA-N 1 0 402.423 -0.596 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CCN2C1=O ZINC000579973293 1068345598 /nfs/dbraw/zinc/34/55/98/1068345598.db2.gz YLQMDXPGAIHKJQ-YGRLFVJLSA-N 1 0 402.423 -0.596 20 0 HBADRO Cn1c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000579976043 1068347890 /nfs/dbraw/zinc/34/78/90/1068347890.db2.gz KRGPQIJAZUPBBQ-CQSZACIVSA-N 1 0 403.483 -0.240 20 0 HBADRO CC(C)(CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000579993151 1068353455 /nfs/dbraw/zinc/35/34/55/1068353455.db2.gz MEHNBDJACYOPLW-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000580000757 1068353862 /nfs/dbraw/zinc/35/38/62/1068353862.db2.gz VUVOXXYOUIQNKF-UHFFFAOYSA-N 1 0 401.489 -0.847 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)CNS(=O)(=O)c3cccnc3)ccn2)CC1 ZINC000580015828 1068359366 /nfs/dbraw/zinc/35/93/66/1068359366.db2.gz DQEOSRKYDBGTNG-UHFFFAOYSA-N 1 0 404.496 -0.177 20 0 HBADRO CCN(CC)C(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000580057961 1068371437 /nfs/dbraw/zinc/37/14/37/1068371437.db2.gz ZHOJNIZYRSYIMI-KRWDZBQOSA-N 1 0 423.558 -0.203 20 0 HBADRO CCN(CC)C(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000580057962 1069008958 /nfs/dbraw/zinc/00/89/58/1069008958.db2.gz ZHOJNIZYRSYIMI-QGZVFWFLSA-N 1 0 423.558 -0.203 20 0 HBADRO NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000580058846 1068371514 /nfs/dbraw/zinc/37/15/14/1068371514.db2.gz HBEPQPKNIQNPPL-CRAIPNDOSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000580058847 1068371795 /nfs/dbraw/zinc/37/17/95/1068371795.db2.gz HBEPQPKNIQNPPL-MAUKXSAKSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000580058848 1068372079 /nfs/dbraw/zinc/37/20/79/1068372079.db2.gz HBEPQPKNIQNPPL-QAPCUYQASA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000580058849 1068371933 /nfs/dbraw/zinc/37/19/33/1068371933.db2.gz HBEPQPKNIQNPPL-YJBOKZPZSA-N 1 0 402.495 -0.017 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000580081706 1068372699 /nfs/dbraw/zinc/37/26/99/1068372699.db2.gz BWWKSOLBQDFFNZ-BZUAXINKSA-N 1 0 416.544 -0.979 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000580081713 1068372566 /nfs/dbraw/zinc/37/25/66/1068372566.db2.gz BWWKSOLBQDFFNZ-OAGGEKHMSA-N 1 0 416.544 -0.979 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000580081714 1068371758 /nfs/dbraw/zinc/37/17/58/1068371758.db2.gz BWWKSOLBQDFFNZ-OWCLPIDISA-N 1 0 416.544 -0.979 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000580081715 1068372022 /nfs/dbraw/zinc/37/20/22/1068372022.db2.gz BWWKSOLBQDFFNZ-PMPSAXMXSA-N 1 0 416.544 -0.979 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 ZINC000580086490 1068372333 /nfs/dbraw/zinc/37/23/33/1068372333.db2.gz QVFGIKSODMKMKL-AWEZNQCLSA-N 1 0 401.467 -0.134 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 ZINC000580086493 1068372530 /nfs/dbraw/zinc/37/25/30/1068372530.db2.gz QVFGIKSODMKMKL-CQSZACIVSA-N 1 0 401.467 -0.134 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC000580096546 1069011386 /nfs/dbraw/zinc/01/13/86/1069011386.db2.gz IRWVCVUBHDHMQU-DLBZAZTESA-N 1 0 400.483 -0.394 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC000580096547 1068373091 /nfs/dbraw/zinc/37/30/91/1068373091.db2.gz IRWVCVUBHDHMQU-IAGOWNOFSA-N 1 0 400.483 -0.394 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC000580096548 1068373449 /nfs/dbraw/zinc/37/34/49/1068373449.db2.gz IRWVCVUBHDHMQU-IRXDYDNUSA-N 1 0 400.483 -0.394 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CCN2C1=O ZINC000580096549 1068373122 /nfs/dbraw/zinc/37/31/22/1068373122.db2.gz IRWVCVUBHDHMQU-SJORKVTESA-N 1 0 400.483 -0.394 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104376 1068375424 /nfs/dbraw/zinc/37/54/24/1068375424.db2.gz NZNHOQLZSFGDAP-MSOLQXFVSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104377 1068375049 /nfs/dbraw/zinc/37/50/49/1068375049.db2.gz NZNHOQLZSFGDAP-QZTJIDSGSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104378 1068375562 /nfs/dbraw/zinc/37/55/62/1068375562.db2.gz NZNHOQLZSFGDAP-ROUUACIJSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104379 1068375294 /nfs/dbraw/zinc/37/52/94/1068375294.db2.gz NZNHOQLZSFGDAP-ZWKOTPCHSA-N 1 0 405.543 -0.258 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000580108904 1068374676 /nfs/dbraw/zinc/37/46/76/1068374676.db2.gz WWQUEIOIDBJFEH-HNNXBMFYSA-N 1 0 409.531 -0.355 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000580108905 1068374447 /nfs/dbraw/zinc/37/44/47/1068374447.db2.gz WWQUEIOIDBJFEH-OAHLLOKOSA-N 1 0 409.531 -0.355 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)(C)C[NH+](C)C ZINC000580109521 1068374540 /nfs/dbraw/zinc/37/45/40/1068374540.db2.gz CEEHLOGVVYTADY-CYBMUJFWSA-N 1 0 408.590 -0.426 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)(C)C[NH+](C)C ZINC000580109522 1068374428 /nfs/dbraw/zinc/37/44/28/1068374428.db2.gz CEEHLOGVVYTADY-ZDUSSCGKSA-N 1 0 408.590 -0.426 20 0 HBADRO COc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000580110927 1068376271 /nfs/dbraw/zinc/37/62/71/1068376271.db2.gz GPBOFBWQEUWCLS-UHFFFAOYSA-N 1 0 412.512 -0.649 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)cn1 ZINC000580119377 1068376359 /nfs/dbraw/zinc/37/63/59/1068376359.db2.gz ACIIEVNFKYZDEK-MOPGFXCFSA-N 1 0 418.542 -0.442 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cn1 ZINC000580119378 1068376743 /nfs/dbraw/zinc/37/67/43/1068376743.db2.gz ACIIEVNFKYZDEK-OALUTQOASA-N 1 0 418.542 -0.442 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cn1 ZINC000580119379 1068376471 /nfs/dbraw/zinc/37/64/71/1068376471.db2.gz ACIIEVNFKYZDEK-RBUKOAKNSA-N 1 0 418.542 -0.442 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cn1 ZINC000580119380 1068376341 /nfs/dbraw/zinc/37/63/41/1068376341.db2.gz ACIIEVNFKYZDEK-RTBURBONSA-N 1 0 418.542 -0.442 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000580122376 1068377352 /nfs/dbraw/zinc/37/73/52/1068377352.db2.gz XLUHCSWNGDGFOY-HZPDHXFCSA-N 1 0 421.542 -0.534 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000580123026 1068377198 /nfs/dbraw/zinc/37/71/98/1068377198.db2.gz YBIGPASCXVCKIP-UHFFFAOYSA-N 1 0 413.544 -0.125 20 0 HBADRO C[NH+]1CCN(c2ccnc(-c3noc(CN4CCN(S(C)(=O)=O)CC4)n3)c2)CC1 ZINC000580125561 1068377908 /nfs/dbraw/zinc/37/79/08/1068377908.db2.gz QCLUWBFYXPEWKH-UHFFFAOYSA-N 1 0 421.527 -0.039 20 0 HBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580128002 1068377866 /nfs/dbraw/zinc/37/78/66/1068377866.db2.gz MEJNPKGLTFQSFO-CQSZACIVSA-N 1 0 400.501 -0.290 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)no1 ZINC000580175234 1069594316 /nfs/dbraw/zinc/59/43/16/1069594316.db2.gz SEJPOONRULBBKZ-HNNXBMFYSA-N 1 0 420.514 -0.086 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)no1 ZINC000580175235 1069593667 /nfs/dbraw/zinc/59/36/67/1069593667.db2.gz SEJPOONRULBBKZ-OAHLLOKOSA-N 1 0 420.514 -0.086 20 0 HBADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(F)c1 ZINC000580214287 1069021130 /nfs/dbraw/zinc/02/11/30/1069021130.db2.gz QBKFVVDAUWYJDQ-ZYHUDNBSSA-N 1 0 406.461 -0.870 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CCN2C1=O ZINC000580216886 1068383829 /nfs/dbraw/zinc/38/38/29/1068383829.db2.gz KTSVELVDNXXMAO-MSOLQXFVSA-N 1 0 405.543 -0.082 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CCN2C1=O ZINC000580216887 1068383638 /nfs/dbraw/zinc/38/36/38/1068383638.db2.gz KTSVELVDNXXMAO-QZTJIDSGSA-N 1 0 405.543 -0.082 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CCN2C1=O ZINC000580216888 1069021365 /nfs/dbraw/zinc/02/13/65/1069021365.db2.gz KTSVELVDNXXMAO-ROUUACIJSA-N 1 0 405.543 -0.082 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CCN2C1=O ZINC000580216889 1068383477 /nfs/dbraw/zinc/38/34/77/1068383477.db2.gz KTSVELVDNXXMAO-ZWKOTPCHSA-N 1 0 405.543 -0.082 20 0 HBADRO CCCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000580217591 1068383121 /nfs/dbraw/zinc/38/31/21/1068383121.db2.gz QRRWSQMOBFDAHL-HNNXBMFYSA-N 1 0 409.531 -0.485 20 0 HBADRO CCCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000580217592 1068383018 /nfs/dbraw/zinc/38/30/18/1068383018.db2.gz QRRWSQMOBFDAHL-OAHLLOKOSA-N 1 0 409.531 -0.485 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)ccn2)CC1 ZINC000580220365 1068383610 /nfs/dbraw/zinc/38/36/10/1068383610.db2.gz HWIMCKLLASEZEY-INIZCTEOSA-N 1 0 402.499 -0.436 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)ccn2)CC1 ZINC000580220366 1068383519 /nfs/dbraw/zinc/38/35/19/1068383519.db2.gz HWIMCKLLASEZEY-MRXNPFEDSA-N 1 0 402.499 -0.436 20 0 HBADRO COCC1(O)CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000580220644 1068383766 /nfs/dbraw/zinc/38/37/66/1068383766.db2.gz SQJINBDOSZUKQG-UHFFFAOYSA-N 1 0 405.499 -0.551 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000580231046 1068384279 /nfs/dbraw/zinc/38/42/79/1068384279.db2.gz KRGMOSRELZYMTN-OCCSQVGLSA-N 1 0 420.432 -0.023 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000580231047 1068384016 /nfs/dbraw/zinc/38/40/16/1068384016.db2.gz KRGMOSRELZYMTN-TZMCWYRMSA-N 1 0 420.432 -0.023 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000580234188 1068384145 /nfs/dbraw/zinc/38/41/45/1068384145.db2.gz LJVZAHILZRGUTF-INIZCTEOSA-N 1 0 418.560 -0.513 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000580234189 1068384390 /nfs/dbraw/zinc/38/43/90/1068384390.db2.gz LJVZAHILZRGUTF-MRXNPFEDSA-N 1 0 418.560 -0.513 20 0 HBADRO CC(C)Nc1nc(N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)nc(NCCO)[nH+]1 ZINC000580235805 1068384918 /nfs/dbraw/zinc/38/49/18/1068384918.db2.gz QGEPBKPXQFCCMM-HOCLYGCPSA-N 1 0 421.525 -0.278 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000580237135 1068384743 /nfs/dbraw/zinc/38/47/43/1068384743.db2.gz CNSQXAPNTKPWDG-CABCVRRESA-N 1 0 404.533 -0.856 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000580237136 1068384859 /nfs/dbraw/zinc/38/48/59/1068384859.db2.gz CNSQXAPNTKPWDG-GJZGRUSLSA-N 1 0 404.533 -0.856 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000580237137 1068384983 /nfs/dbraw/zinc/38/49/83/1068384983.db2.gz CNSQXAPNTKPWDG-HUUCEWRRSA-N 1 0 404.533 -0.856 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000580237138 1068384648 /nfs/dbraw/zinc/38/46/48/1068384648.db2.gz CNSQXAPNTKPWDG-LSDHHAIUSA-N 1 0 404.533 -0.856 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000580248147 1068385324 /nfs/dbraw/zinc/38/53/24/1068385324.db2.gz XVHNHTUHTXEXGN-UHFFFAOYSA-N 1 0 400.483 -0.095 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580278200 1068386626 /nfs/dbraw/zinc/38/66/26/1068386626.db2.gz VAHIJCQPUYSALO-KSZLIROESA-N 1 0 417.572 -0.119 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580278201 1068386449 /nfs/dbraw/zinc/38/64/49/1068386449.db2.gz VAHIJCQPUYSALO-KURKYZTESA-N 1 0 417.572 -0.119 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580278202 1069027631 /nfs/dbraw/zinc/02/76/31/1069027631.db2.gz VAHIJCQPUYSALO-KZNAEPCWSA-N 1 0 417.572 -0.119 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580278203 1069027501 /nfs/dbraw/zinc/02/75/01/1069027501.db2.gz VAHIJCQPUYSALO-RCCFBDPRSA-N 1 0 417.572 -0.119 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)n1 ZINC000580332975 1068388752 /nfs/dbraw/zinc/38/87/52/1068388752.db2.gz KYADYNFYBYPYRG-UHFFFAOYSA-N 1 0 403.531 -0.424 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000580346429 1068389778 /nfs/dbraw/zinc/38/97/78/1068389778.db2.gz HZANRQUNCBXBDJ-DLBZAZTESA-N 1 0 423.558 -0.238 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000580346430 1068389850 /nfs/dbraw/zinc/38/98/50/1068389850.db2.gz HZANRQUNCBXBDJ-IAGOWNOFSA-N 1 0 423.558 -0.238 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000580346431 1068389998 /nfs/dbraw/zinc/38/99/98/1068389998.db2.gz HZANRQUNCBXBDJ-IRXDYDNUSA-N 1 0 423.558 -0.238 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000580346432 1068390178 /nfs/dbraw/zinc/39/01/78/1068390178.db2.gz HZANRQUNCBXBDJ-SJORKVTESA-N 1 0 423.558 -0.238 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000580350926 1068390936 /nfs/dbraw/zinc/39/09/36/1068390936.db2.gz JQFRCNSSCAYWGJ-UHFFFAOYSA-N 1 0 417.558 -0.047 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1 ZINC000580353809 1068391673 /nfs/dbraw/zinc/39/16/73/1068391673.db2.gz HONZEGRLIVKYLO-UHFFFAOYSA-N 1 0 415.516 -0.552 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580356394 1068391606 /nfs/dbraw/zinc/39/16/06/1068391606.db2.gz MGIQCWCOTPPMEV-HDICACEKSA-N 1 0 422.489 -0.087 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000580357282 1068392361 /nfs/dbraw/zinc/39/23/61/1068392361.db2.gz ABHCGQZLUOHPCY-INIZCTEOSA-N 1 0 409.531 -0.628 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000580357283 1068392089 /nfs/dbraw/zinc/39/20/89/1068392089.db2.gz ABHCGQZLUOHPCY-MRXNPFEDSA-N 1 0 409.531 -0.628 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000580358406 1068392302 /nfs/dbraw/zinc/39/23/02/1068392302.db2.gz FADPFJWDISFDEQ-BRSBDYLESA-N 1 0 415.556 -0.115 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000580358407 1068392044 /nfs/dbraw/zinc/39/20/44/1068392044.db2.gz FADPFJWDISFDEQ-VSZNYVQBSA-N 1 0 415.556 -0.115 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000580358408 1068392344 /nfs/dbraw/zinc/39/23/44/1068392344.db2.gz FADPFJWDISFDEQ-XMTFNYHQSA-N 1 0 415.556 -0.115 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000580358409 1068392177 /nfs/dbraw/zinc/39/21/77/1068392177.db2.gz FADPFJWDISFDEQ-ZJPYXAASSA-N 1 0 415.556 -0.115 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000580371779 1068394200 /nfs/dbraw/zinc/39/42/00/1068394200.db2.gz WQDBIOSBNXNQNY-DLBZAZTESA-N 1 0 402.499 -0.381 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000580371781 1068394319 /nfs/dbraw/zinc/39/43/19/1068394319.db2.gz WQDBIOSBNXNQNY-IAGOWNOFSA-N 1 0 402.499 -0.381 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000580371782 1068394397 /nfs/dbraw/zinc/39/43/97/1068394397.db2.gz WQDBIOSBNXNQNY-IRXDYDNUSA-N 1 0 402.499 -0.381 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000580371783 1068394252 /nfs/dbraw/zinc/39/42/52/1068394252.db2.gz WQDBIOSBNXNQNY-SJORKVTESA-N 1 0 402.499 -0.381 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000580372315 1068394966 /nfs/dbraw/zinc/39/49/66/1068394966.db2.gz CWBSCTYCCZEUPX-GOSISDBHSA-N 1 0 414.547 -0.857 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000580372316 1068394847 /nfs/dbraw/zinc/39/48/47/1068394847.db2.gz CWBSCTYCCZEUPX-SFHVURJKSA-N 1 0 414.547 -0.857 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccncc3OCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000580384057 1068396631 /nfs/dbraw/zinc/39/66/31/1068396631.db2.gz AXBIBAQABYHGHW-UHFFFAOYSA-N 1 0 415.454 -0.915 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000580384586 1068396190 /nfs/dbraw/zinc/39/61/90/1068396190.db2.gz ISFREQXOJXNPEJ-UHFFFAOYSA-N 1 0 412.512 -0.114 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000580385673 1068396529 /nfs/dbraw/zinc/39/65/29/1068396529.db2.gz XCXDWKMFMRDNBF-UHFFFAOYSA-N 1 0 404.581 -0.464 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580442357 1068400270 /nfs/dbraw/zinc/40/02/70/1068400270.db2.gz SKEONDHTVKMRQV-GDBMZVCRSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580442358 1068400002 /nfs/dbraw/zinc/40/00/02/1068400002.db2.gz SKEONDHTVKMRQV-GOEBONIOSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580442359 1068400166 /nfs/dbraw/zinc/40/01/66/1068400166.db2.gz SKEONDHTVKMRQV-HOCLYGCPSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580442360 1068399984 /nfs/dbraw/zinc/39/99/84/1068399984.db2.gz SKEONDHTVKMRQV-ZBFHGGJFSA-N 1 0 400.545 -0.093 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1C ZINC000580457172 1068401659 /nfs/dbraw/zinc/40/16/59/1068401659.db2.gz IKUYADUFIXCFSW-UHFFFAOYSA-N 1 0 414.514 -0.435 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000580461600 1068402096 /nfs/dbraw/zinc/40/20/96/1068402096.db2.gz ZTEAROWEPYDCFV-UHFFFAOYSA-N 1 0 404.515 -0.272 20 0 HBADRO COCCn1cnc2c1c(=O)n(CC(=O)NCC[NH3+])c(=O)n2Cc1ccccc1 ZINC000580467344 1068403148 /nfs/dbraw/zinc/40/31/48/1068403148.db2.gz OAGQPCDYJNQDOE-UHFFFAOYSA-N 1 0 400.439 -0.871 20 0 HBADRO Cc1ncc2c(n1)CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000580476313 1068404737 /nfs/dbraw/zinc/40/47/37/1068404737.db2.gz KQKBFAUQCLZGCR-KRWDZBQOSA-N 1 0 402.499 -0.271 20 0 HBADRO Cc1ncc2c(n1)CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000580476314 1068404758 /nfs/dbraw/zinc/40/47/58/1068404758.db2.gz KQKBFAUQCLZGCR-QGZVFWFLSA-N 1 0 402.499 -0.271 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000580484169 1069383312 /nfs/dbraw/zinc/38/33/12/1069383312.db2.gz CLVRGZWVZVQRSS-KKBFJZEXSA-N 1 0 420.514 -0.529 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000580484170 1069383267 /nfs/dbraw/zinc/38/32/67/1069383267.db2.gz CLVRGZWVZVQRSS-KMCQBPLKSA-N 1 0 420.514 -0.529 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000580484171 1069383571 /nfs/dbraw/zinc/38/35/71/1069383571.db2.gz CLVRGZWVZVQRSS-SZXPJGKVSA-N 1 0 420.514 -0.529 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnc3cc(C)ccn3c2=O)CC1=O ZINC000580490369 1068407798 /nfs/dbraw/zinc/40/77/98/1068407798.db2.gz OVNSBCZLBUHACT-HNNXBMFYSA-N 1 0 401.467 -0.088 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnc3cc(C)ccn3c2=O)CC1=O ZINC000580490371 1068407549 /nfs/dbraw/zinc/40/75/49/1068407549.db2.gz OVNSBCZLBUHACT-OAHLLOKOSA-N 1 0 401.467 -0.088 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000580504396 1068409153 /nfs/dbraw/zinc/40/91/53/1068409153.db2.gz WJNQLJWHSNMHMA-UHFFFAOYSA-N 1 0 412.512 -0.786 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000580579165 1068411787 /nfs/dbraw/zinc/41/17/87/1068411787.db2.gz ZKPQBRQEEHTUQO-KRWDZBQOSA-N 1 0 407.490 -0.129 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000580579166 1068411901 /nfs/dbraw/zinc/41/19/01/1068411901.db2.gz ZKPQBRQEEHTUQO-QGZVFWFLSA-N 1 0 407.490 -0.129 20 0 HBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000580585988 1068412773 /nfs/dbraw/zinc/41/27/73/1068412773.db2.gz AUXKCSXHDWVEFU-UHFFFAOYSA-N 1 0 402.411 -0.102 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)CC2)CC1 ZINC000580589361 1072208246 /nfs/dbraw/zinc/20/82/46/1072208246.db2.gz YSYJXSCQMTXGQD-FQEVSTJZSA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)CC2)CC1 ZINC000580589362 1072208114 /nfs/dbraw/zinc/20/81/14/1072208114.db2.gz YSYJXSCQMTXGQD-HXUWFJFHSA-N 1 0 421.586 -0.016 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC[N@@H+](C3CCCC3)CC2)[C@H](O)[C@@H]1O ZINC000580594606 1072208134 /nfs/dbraw/zinc/20/81/34/1072208134.db2.gz UZJXESFFWZZMHS-WVSUBDOOSA-N 1 0 418.498 -0.108 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCCO1 ZINC000580619470 1068415132 /nfs/dbraw/zinc/41/51/32/1068415132.db2.gz IHYPZQXKBHNAKN-HNNXBMFYSA-N 1 0 408.478 -0.119 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCCO1 ZINC000580619471 1068415188 /nfs/dbraw/zinc/41/51/88/1068415188.db2.gz IHYPZQXKBHNAKN-OAHLLOKOSA-N 1 0 408.478 -0.119 20 0 HBADRO O=C(NCCn1cccn1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000580633692 1068416039 /nfs/dbraw/zinc/41/60/39/1068416039.db2.gz UDZQJXKVSNZLSI-UHFFFAOYSA-N 1 0 404.515 -0.160 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000580638315 1068416747 /nfs/dbraw/zinc/41/67/47/1068416747.db2.gz RJAZCKQBVOMJJZ-HNNXBMFYSA-N 1 0 400.545 -0.235 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000580638316 1068416642 /nfs/dbraw/zinc/41/66/42/1068416642.db2.gz RJAZCKQBVOMJJZ-OAHLLOKOSA-N 1 0 400.545 -0.235 20 0 HBADRO CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000580666360 1068418213 /nfs/dbraw/zinc/41/82/13/1068418213.db2.gz NJGZGYAJGPTAQZ-UHFFFAOYSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000580666394 1068418347 /nfs/dbraw/zinc/41/83/47/1068418347.db2.gz PEDCSOAHMVDJGC-CQSZACIVSA-N 1 0 404.471 -0.966 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000580667120 1068418398 /nfs/dbraw/zinc/41/83/98/1068418398.db2.gz NCDSBFOGEWNMSS-AJKMGBEJSA-N 1 0 406.487 -0.030 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000580667121 1068418251 /nfs/dbraw/zinc/41/82/51/1068418251.db2.gz NCDSBFOGEWNMSS-WNLTYMPLSA-N 1 0 406.487 -0.030 20 0 HBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000580728687 1068423811 /nfs/dbraw/zinc/42/38/11/1068423811.db2.gz BIAVHYKHOOAYEQ-KRWDZBQOSA-N 1 0 424.567 -0.188 20 0 HBADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000580728688 1068424012 /nfs/dbraw/zinc/42/40/12/1068424012.db2.gz BIAVHYKHOOAYEQ-QGZVFWFLSA-N 1 0 424.567 -0.188 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000580728824 1068423725 /nfs/dbraw/zinc/42/37/25/1068423725.db2.gz INLIIXJZJVIGRJ-MSOLQXFVSA-N 1 0 417.558 -0.049 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000580728825 1068423958 /nfs/dbraw/zinc/42/39/58/1068423958.db2.gz INLIIXJZJVIGRJ-QZTJIDSGSA-N 1 0 417.558 -0.049 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000580728826 1068423989 /nfs/dbraw/zinc/42/39/89/1068423989.db2.gz INLIIXJZJVIGRJ-ROUUACIJSA-N 1 0 417.558 -0.049 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000580728827 1068423886 /nfs/dbraw/zinc/42/38/86/1068423886.db2.gz INLIIXJZJVIGRJ-ZWKOTPCHSA-N 1 0 417.558 -0.049 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000580742495 1068426686 /nfs/dbraw/zinc/42/66/86/1068426686.db2.gz BBPCRMAGUOSCIH-HNNXBMFYSA-N 1 0 407.515 -0.828 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000580742496 1068426736 /nfs/dbraw/zinc/42/67/36/1068426736.db2.gz BBPCRMAGUOSCIH-OAHLLOKOSA-N 1 0 407.515 -0.828 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000580766249 1068428895 /nfs/dbraw/zinc/42/88/95/1068428895.db2.gz VMKSJGSNOMVDHB-DOTOQJQBSA-N 1 0 405.547 -0.413 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000580766250 1068428914 /nfs/dbraw/zinc/42/89/14/1068428914.db2.gz VMKSJGSNOMVDHB-NVXWUHKLSA-N 1 0 405.547 -0.413 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000580766251 1068428862 /nfs/dbraw/zinc/42/88/62/1068428862.db2.gz VMKSJGSNOMVDHB-RDJZCZTQSA-N 1 0 405.547 -0.413 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000580766252 1068428794 /nfs/dbraw/zinc/42/87/94/1068428794.db2.gz VMKSJGSNOMVDHB-WBVHZDCISA-N 1 0 405.547 -0.413 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)NCC[NH+]1CCCCCC1 ZINC000580788684 1068430069 /nfs/dbraw/zinc/43/00/69/1068430069.db2.gz JOZBTRJHFUTMOR-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000580788745 1068430006 /nfs/dbraw/zinc/43/00/06/1068430006.db2.gz NFRUPEQGHVHQOJ-IBGZPJMESA-N 1 0 417.554 -0.056 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000580788746 1068430126 /nfs/dbraw/zinc/43/01/26/1068430126.db2.gz NFRUPEQGHVHQOJ-LJQANCHMSA-N 1 0 417.554 -0.056 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000580790451 1068430923 /nfs/dbraw/zinc/43/09/23/1068430923.db2.gz CUVZPKRLCMQVLW-INIZCTEOSA-N 1 0 412.498 -0.519 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000580790454 1068431015 /nfs/dbraw/zinc/43/10/15/1068431015.db2.gz CUVZPKRLCMQVLW-MRXNPFEDSA-N 1 0 412.498 -0.519 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000580796737 1068431783 /nfs/dbraw/zinc/43/17/83/1068431783.db2.gz ATKNELZFOCARLY-UHFFFAOYSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCn1cc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000580798575 1068431724 /nfs/dbraw/zinc/43/17/24/1068431724.db2.gz XZUDACVACJRCRB-GOSISDBHSA-N 1 0 406.531 -0.226 20 0 HBADRO COCCn1cc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000580798576 1068431628 /nfs/dbraw/zinc/43/16/28/1068431628.db2.gz XZUDACVACJRCRB-SFHVURJKSA-N 1 0 406.531 -0.226 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1=O ZINC000580825537 1068435817 /nfs/dbraw/zinc/43/58/17/1068435817.db2.gz JOOPSVIIBAUBLL-AWEZNQCLSA-N 1 0 416.500 -0.561 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1=O ZINC000580825538 1068435647 /nfs/dbraw/zinc/43/56/47/1068435647.db2.gz JOOPSVIIBAUBLL-CQSZACIVSA-N 1 0 416.500 -0.561 20 0 HBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000580847445 1068437275 /nfs/dbraw/zinc/43/72/75/1068437275.db2.gz XPTDOIZPMDMLPO-FQEVSTJZSA-N 1 0 417.554 -0.070 20 0 HBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000580847451 1068437213 /nfs/dbraw/zinc/43/72/13/1068437213.db2.gz XPTDOIZPMDMLPO-HXUWFJFHSA-N 1 0 417.554 -0.070 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000580863110 1068437891 /nfs/dbraw/zinc/43/78/91/1068437891.db2.gz FSXFEGIFQTZBES-CYBMUJFWSA-N 1 0 401.485 -0.181 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000580863111 1068437996 /nfs/dbraw/zinc/43/79/96/1068437996.db2.gz FSXFEGIFQTZBES-ZDUSSCGKSA-N 1 0 401.485 -0.181 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897655 1068439642 /nfs/dbraw/zinc/43/96/42/1068439642.db2.gz QJOFMBNWXUMSEP-CRAIPNDOSA-N 1 0 405.543 -0.212 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897661 1068439524 /nfs/dbraw/zinc/43/95/24/1068439524.db2.gz QJOFMBNWXUMSEP-MAUKXSAKSA-N 1 0 405.543 -0.212 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897662 1068439419 /nfs/dbraw/zinc/43/94/19/1068439419.db2.gz QJOFMBNWXUMSEP-QAPCUYQASA-N 1 0 405.543 -0.212 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897663 1068439596 /nfs/dbraw/zinc/43/95/96/1068439596.db2.gz QJOFMBNWXUMSEP-YJBOKZPZSA-N 1 0 405.543 -0.212 20 0 HBADRO COC(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(C(=O)OC)c1 ZINC000580902523 1068440192 /nfs/dbraw/zinc/44/01/92/1068440192.db2.gz JKHNZXGOUWDUFM-CABCVRRESA-N 1 0 404.423 -0.558 20 0 HBADRO COC(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(C(=O)OC)c1 ZINC000580902524 1068440085 /nfs/dbraw/zinc/44/00/85/1068440085.db2.gz JKHNZXGOUWDUFM-GJZGRUSLSA-N 1 0 404.423 -0.558 20 0 HBADRO COC(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C(=O)OC)c1 ZINC000580902525 1068440367 /nfs/dbraw/zinc/44/03/67/1068440367.db2.gz JKHNZXGOUWDUFM-HUUCEWRRSA-N 1 0 404.423 -0.558 20 0 HBADRO COC(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(C(=O)OC)c1 ZINC000580902526 1068440283 /nfs/dbraw/zinc/44/02/83/1068440283.db2.gz JKHNZXGOUWDUFM-LSDHHAIUSA-N 1 0 404.423 -0.558 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000580907551 1068441605 /nfs/dbraw/zinc/44/16/05/1068441605.db2.gz OTAPRJBYGKKBPC-INIZCTEOSA-N 1 0 404.515 -0.125 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000580907553 1068441964 /nfs/dbraw/zinc/44/19/64/1068441964.db2.gz OTAPRJBYGKKBPC-MRXNPFEDSA-N 1 0 404.515 -0.125 20 0 HBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CCO2 ZINC000580909312 1068441866 /nfs/dbraw/zinc/44/18/66/1068441866.db2.gz QICJSMAUQVVUMC-HRAATJIYSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CCO2 ZINC000580909316 1068441954 /nfs/dbraw/zinc/44/19/54/1068441954.db2.gz QICJSMAUQVVUMC-IERDGZPVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CCO2 ZINC000580909317 1068441787 /nfs/dbraw/zinc/44/17/87/1068441787.db2.gz QICJSMAUQVVUMC-IIBYNOLFSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CCO2 ZINC000580909318 1068441893 /nfs/dbraw/zinc/44/18/93/1068441893.db2.gz QICJSMAUQVVUMC-KKSFZXQISA-N 1 0 417.510 -0.144 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000580909706 1068442782 /nfs/dbraw/zinc/44/27/82/1068442782.db2.gz CSGPWXVDOUYZDY-BIWSTMPVSA-N 1 0 408.503 -0.251 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000580909707 1068442684 /nfs/dbraw/zinc/44/26/84/1068442684.db2.gz CSGPWXVDOUYZDY-SHYRYGCCSA-N 1 0 408.503 -0.251 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000580910869 1068442645 /nfs/dbraw/zinc/44/26/45/1068442645.db2.gz JYGPSSCCRRXFRL-KRWDZBQOSA-N 1 0 421.929 -0.014 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000580910870 1068442589 /nfs/dbraw/zinc/44/25/89/1068442589.db2.gz JYGPSSCCRRXFRL-QGZVFWFLSA-N 1 0 421.929 -0.014 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000580943642 1068447576 /nfs/dbraw/zinc/44/75/76/1068447576.db2.gz KZSSZVPUIZAPPM-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000580943643 1068448191 /nfs/dbraw/zinc/44/81/91/1068448191.db2.gz KZSSZVPUIZAPPM-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000580959030 1068450030 /nfs/dbraw/zinc/45/00/30/1068450030.db2.gz HKWVVKFBESSISG-GOSISDBHSA-N 1 0 419.526 -0.017 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000580959031 1068449881 /nfs/dbraw/zinc/44/98/81/1068449881.db2.gz HKWVVKFBESSISG-SFHVURJKSA-N 1 0 419.526 -0.017 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)ccc1C ZINC000580976632 1068452223 /nfs/dbraw/zinc/45/22/23/1068452223.db2.gz MJFIQKAGVMNVFT-UHFFFAOYSA-N 1 0 413.544 -0.159 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581003244 1068453734 /nfs/dbraw/zinc/45/37/34/1068453734.db2.gz RVIKHIPVDXIBBQ-KBPBESRZSA-N 1 0 420.432 -0.163 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581003245 1068453628 /nfs/dbraw/zinc/45/36/28/1068453628.db2.gz RVIKHIPVDXIBBQ-UONOGXRCSA-N 1 0 420.432 -0.163 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000581089970 1068458983 /nfs/dbraw/zinc/45/89/83/1068458983.db2.gz XWEQNNVMWVTADN-AWEZNQCLSA-N 1 0 414.528 -0.192 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000581089973 1068459806 /nfs/dbraw/zinc/45/98/06/1068459806.db2.gz XWEQNNVMWVTADN-CQSZACIVSA-N 1 0 414.528 -0.192 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000581091993 1068458441 /nfs/dbraw/zinc/45/84/41/1068458441.db2.gz OFHMXZPVAFEFNC-DOTOQJQBSA-N 1 0 408.524 -0.131 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000581091994 1068458401 /nfs/dbraw/zinc/45/84/01/1068458401.db2.gz OFHMXZPVAFEFNC-NVXWUHKLSA-N 1 0 408.524 -0.131 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000581091995 1068458267 /nfs/dbraw/zinc/45/82/67/1068458267.db2.gz OFHMXZPVAFEFNC-RDJZCZTQSA-N 1 0 408.524 -0.131 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000581091996 1068458167 /nfs/dbraw/zinc/45/81/67/1068458167.db2.gz OFHMXZPVAFEFNC-WBVHZDCISA-N 1 0 408.524 -0.131 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCO1 ZINC000581092139 1068458113 /nfs/dbraw/zinc/45/81/13/1068458113.db2.gz WUPQOEQMQGJDSI-CVEARBPZSA-N 1 0 420.514 -0.351 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCO1 ZINC000581092140 1068458292 /nfs/dbraw/zinc/45/82/92/1068458292.db2.gz WUPQOEQMQGJDSI-HOTGVXAUSA-N 1 0 420.514 -0.351 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCO1 ZINC000581092141 1068458379 /nfs/dbraw/zinc/45/83/79/1068458379.db2.gz WUPQOEQMQGJDSI-HZPDHXFCSA-N 1 0 420.514 -0.351 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCO1 ZINC000581092142 1068458326 /nfs/dbraw/zinc/45/83/26/1068458326.db2.gz WUPQOEQMQGJDSI-JKSUJKDBSA-N 1 0 420.514 -0.351 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1=O ZINC000581098602 1068460568 /nfs/dbraw/zinc/46/05/68/1068460568.db2.gz GYVXKDUMWBSJRH-CABCVRRESA-N 1 0 401.529 -0.503 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1=O ZINC000581098603 1068460603 /nfs/dbraw/zinc/46/06/03/1068460603.db2.gz GYVXKDUMWBSJRH-GJZGRUSLSA-N 1 0 401.529 -0.503 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1=O ZINC000581098604 1068460623 /nfs/dbraw/zinc/46/06/23/1068460623.db2.gz GYVXKDUMWBSJRH-HUUCEWRRSA-N 1 0 401.529 -0.503 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1=O ZINC000581098605 1068460528 /nfs/dbraw/zinc/46/05/28/1068460528.db2.gz GYVXKDUMWBSJRH-LSDHHAIUSA-N 1 0 401.529 -0.503 20 0 HBADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000581155920 1068464559 /nfs/dbraw/zinc/46/45/59/1068464559.db2.gz WILPIHRTXNWBKH-UHFFFAOYSA-N 1 0 421.546 -0.094 20 0 HBADRO CSc1nnc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000581157657 1068464720 /nfs/dbraw/zinc/46/47/20/1068464720.db2.gz CMSXSDWFFWMWPM-LLVKDONJSA-N 1 0 412.541 -0.359 20 0 HBADRO CSc1nnc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000581157658 1068464474 /nfs/dbraw/zinc/46/44/74/1068464474.db2.gz CMSXSDWFFWMWPM-NSHDSACASA-N 1 0 412.541 -0.359 20 0 HBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000581206573 1068467055 /nfs/dbraw/zinc/46/70/55/1068467055.db2.gz VLKCUAGBRYBXKZ-GOSISDBHSA-N 1 0 417.558 -0.095 20 0 HBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000581206574 1068467138 /nfs/dbraw/zinc/46/71/38/1068467138.db2.gz VLKCUAGBRYBXKZ-SFHVURJKSA-N 1 0 417.558 -0.095 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C ZINC000581207828 1068468137 /nfs/dbraw/zinc/46/81/37/1068468137.db2.gz IQGQDLQXJLKYSX-DAEWCUBLSA-N 1 0 406.487 -0.253 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C ZINC000581207837 1068467867 /nfs/dbraw/zinc/46/78/67/1068467867.db2.gz IQGQDLQXJLKYSX-MZVSAMGMSA-N 1 0 406.487 -0.253 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H]1C ZINC000581207841 1068468062 /nfs/dbraw/zinc/46/80/62/1068468062.db2.gz IQGQDLQXJLKYSX-OAVPVUAOSA-N 1 0 406.487 -0.253 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H]1C ZINC000581207845 1068468196 /nfs/dbraw/zinc/46/81/96/1068468196.db2.gz IQGQDLQXJLKYSX-ZVWXDJDZSA-N 1 0 406.487 -0.253 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000581212102 1068467979 /nfs/dbraw/zinc/46/79/79/1068467979.db2.gz PHDFVHMJSHPYOZ-DLBZAZTESA-N 1 0 423.558 -0.585 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000581212110 1068468163 /nfs/dbraw/zinc/46/81/63/1068468163.db2.gz PHDFVHMJSHPYOZ-IAGOWNOFSA-N 1 0 423.558 -0.585 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000581212113 1068468045 /nfs/dbraw/zinc/46/80/45/1068468045.db2.gz PHDFVHMJSHPYOZ-IRXDYDNUSA-N 1 0 423.558 -0.585 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000581212115 1068467818 /nfs/dbraw/zinc/46/78/18/1068467818.db2.gz PHDFVHMJSHPYOZ-SJORKVTESA-N 1 0 423.558 -0.585 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCOCC1 ZINC000581213853 1068467782 /nfs/dbraw/zinc/46/77/82/1068467782.db2.gz ZRIWFBXMGQANIV-BBWFWOEESA-N 1 0 410.515 -0.766 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCOCC1 ZINC000581213854 1068467909 /nfs/dbraw/zinc/46/79/09/1068467909.db2.gz ZRIWFBXMGQANIV-GVDBMIGSSA-N 1 0 410.515 -0.766 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCOCC1 ZINC000581213855 1068468078 /nfs/dbraw/zinc/46/80/78/1068468078.db2.gz ZRIWFBXMGQANIV-ULQDDVLXSA-N 1 0 410.515 -0.766 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCOCC1 ZINC000581213856 1068468155 /nfs/dbraw/zinc/46/81/55/1068468155.db2.gz ZRIWFBXMGQANIV-YESZJQIVSA-N 1 0 410.515 -0.766 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000581241656 1068472534 /nfs/dbraw/zinc/47/25/34/1068472534.db2.gz MMQFCEPSRXJXOY-UHFFFAOYSA-N 1 0 411.528 -0.922 20 0 HBADRO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000581257565 1068473678 /nfs/dbraw/zinc/47/36/78/1068473678.db2.gz CLBOSZMCIRVBFN-UHFFFAOYSA-N 1 0 404.515 -0.538 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000581265306 1068474269 /nfs/dbraw/zinc/47/42/69/1068474269.db2.gz RJMNKCZJBMEDAD-GOSISDBHSA-N 1 0 407.559 -0.009 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000581265307 1068474415 /nfs/dbraw/zinc/47/44/15/1068474415.db2.gz RJMNKCZJBMEDAD-SFHVURJKSA-N 1 0 407.559 -0.009 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCN3CCSCC3)ccn2)CC1 ZINC000581265482 1068474526 /nfs/dbraw/zinc/47/45/26/1068474526.db2.gz WZVXDYNXCSRFOM-UHFFFAOYSA-N 1 0 406.556 -0.385 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000581265638 1068474375 /nfs/dbraw/zinc/47/43/75/1068474375.db2.gz ZZZJIWNNLDUPIH-HNNXBMFYSA-N 1 0 408.503 -0.149 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000581265639 1068474473 /nfs/dbraw/zinc/47/44/73/1068474473.db2.gz ZZZJIWNNLDUPIH-OAHLLOKOSA-N 1 0 408.503 -0.149 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)CC1 ZINC000581267402 1068474447 /nfs/dbraw/zinc/47/44/47/1068474447.db2.gz HRIPRGVYKHUBCJ-UHFFFAOYSA-N 1 0 407.559 -0.358 20 0 HBADRO CN1C[C@H](C(=O)N(CCNC(=O)[C@H]2CC(=O)N(C)C2)CC[NH+]2CCCCC2)CC1=O ZINC000581268430 1068474360 /nfs/dbraw/zinc/47/43/60/1068474360.db2.gz SNCNAYGDHVMLKX-DLBZAZTESA-N 1 0 421.542 -0.626 20 0 HBADRO CN1C[C@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@@H]2CC(=O)N(C)C2)CC1=O ZINC000581268431 1068474434 /nfs/dbraw/zinc/47/44/34/1068474434.db2.gz SNCNAYGDHVMLKX-IAGOWNOFSA-N 1 0 421.542 -0.626 20 0 HBADRO CN1C[C@@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@H]2CC(=O)N(C)C2)CC1=O ZINC000581268432 1068474404 /nfs/dbraw/zinc/47/44/04/1068474404.db2.gz SNCNAYGDHVMLKX-IRXDYDNUSA-N 1 0 421.542 -0.626 20 0 HBADRO CN1C[C@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@H]2CC(=O)N(C)C2)CC1=O ZINC000581268433 1068474241 /nfs/dbraw/zinc/47/42/41/1068474241.db2.gz SNCNAYGDHVMLKX-SJORKVTESA-N 1 0 421.542 -0.626 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)c1=O ZINC000581301081 1068476934 /nfs/dbraw/zinc/47/69/34/1068476934.db2.gz YOBSEXJAVIBJPB-UHFFFAOYSA-N 1 0 402.499 -0.581 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000581317065 1068477649 /nfs/dbraw/zinc/47/76/49/1068477649.db2.gz BFRMKKHPIZAXJV-IBGZPJMESA-N 1 0 417.554 -0.056 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000581317066 1068477720 /nfs/dbraw/zinc/47/77/20/1068477720.db2.gz BFRMKKHPIZAXJV-LJQANCHMSA-N 1 0 417.554 -0.056 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)no1 ZINC000581324242 1069593262 /nfs/dbraw/zinc/59/32/62/1069593262.db2.gz UEQIODGTPPBHPH-UHFFFAOYSA-N 1 0 420.514 0.058 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cn(Cc3ccccn3)nn2)CC1=O ZINC000581337484 1068479753 /nfs/dbraw/zinc/47/97/53/1068479753.db2.gz MBMNBAPDGVYULZ-INIZCTEOSA-N 1 0 401.471 -0.370 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cn(Cc3ccccn3)nn2)CC1=O ZINC000581337485 1068479828 /nfs/dbraw/zinc/47/98/28/1068479828.db2.gz MBMNBAPDGVYULZ-MRXNPFEDSA-N 1 0 401.471 -0.370 20 0 HBADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@@H](O)C[N@H+](C)C2CC2)c(=O)c1=O ZINC000581343098 1068480509 /nfs/dbraw/zinc/48/05/09/1068480509.db2.gz YUQUDHNXTZFJFT-AWEZNQCLSA-N 1 0 424.523 -0.112 20 0 HBADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@H](O)C[N@H+](C)C2CC2)c(=O)c1=O ZINC000581343099 1068480586 /nfs/dbraw/zinc/48/05/86/1068480586.db2.gz YUQUDHNXTZFJFT-CQSZACIVSA-N 1 0 424.523 -0.112 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H](C)N3CCOCC3)CC2)c1 ZINC000581376354 1068483734 /nfs/dbraw/zinc/48/37/34/1068483734.db2.gz ZHONTNGWSGWYGV-CVEARBPZSA-N 1 0 405.499 -0.036 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)N3CCOCC3)CC2)c1 ZINC000581376355 1068483509 /nfs/dbraw/zinc/48/35/09/1068483509.db2.gz ZHONTNGWSGWYGV-HOTGVXAUSA-N 1 0 405.499 -0.036 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)N3CCOCC3)CC2)c1 ZINC000581376356 1068483589 /nfs/dbraw/zinc/48/35/89/1068483589.db2.gz ZHONTNGWSGWYGV-HZPDHXFCSA-N 1 0 405.499 -0.036 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N3CCOCC3)CC2)c1 ZINC000581376357 1068483778 /nfs/dbraw/zinc/48/37/78/1068483778.db2.gz ZHONTNGWSGWYGV-JKSUJKDBSA-N 1 0 405.499 -0.036 20 0 HBADRO C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)NCC[NH+](C)C ZINC000581391768 1068485173 /nfs/dbraw/zinc/48/51/73/1068485173.db2.gz VHXUWEUUALZZGV-CYBMUJFWSA-N 1 0 409.512 -0.237 20 0 HBADRO C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)NCC[NH+](C)C ZINC000581391769 1068484997 /nfs/dbraw/zinc/48/49/97/1068484997.db2.gz VHXUWEUUALZZGV-ZDUSSCGKSA-N 1 0 409.512 -0.237 20 0 HBADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581440813 1068489993 /nfs/dbraw/zinc/48/99/93/1068489993.db2.gz SBSLVEXDERPAFB-GHMZBOCLSA-N 1 0 409.406 -0.528 20 0 HBADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581440814 1068490078 /nfs/dbraw/zinc/49/00/78/1068490078.db2.gz SBSLVEXDERPAFB-MNOVXSKESA-N 1 0 409.406 -0.528 20 0 HBADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581440815 1068490212 /nfs/dbraw/zinc/49/02/12/1068490212.db2.gz SBSLVEXDERPAFB-QWRGUYRKSA-N 1 0 409.406 -0.528 20 0 HBADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581440816 1068490271 /nfs/dbraw/zinc/49/02/71/1068490271.db2.gz SBSLVEXDERPAFB-WDEREUQCSA-N 1 0 409.406 -0.528 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000581442408 1068490898 /nfs/dbraw/zinc/49/08/98/1068490898.db2.gz DCRCYEVFDASEDY-UHFFFAOYSA-N 1 0 412.487 -0.131 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000581442421 1068490856 /nfs/dbraw/zinc/49/08/56/1068490856.db2.gz DSAVWJWMXNWHDZ-UHFFFAOYSA-N 1 0 403.527 -0.095 20 0 HBADRO COCCN1CCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000581443822 1068490141 /nfs/dbraw/zinc/49/01/41/1068490141.db2.gz PTHJELAQBRLOIG-FQEVSTJZSA-N 1 0 417.554 -0.118 20 0 HBADRO COCCN1CCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000581443823 1068490314 /nfs/dbraw/zinc/49/03/14/1068490314.db2.gz PTHJELAQBRLOIG-HXUWFJFHSA-N 1 0 417.554 -0.118 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC000581455970 1068490953 /nfs/dbraw/zinc/49/09/53/1068490953.db2.gz JTEIZYNSWNNLGE-HNNXBMFYSA-N 1 0 409.512 -0.243 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000581455971 1068491528 /nfs/dbraw/zinc/49/15/28/1068491528.db2.gz JTEIZYNSWNNLGE-OAHLLOKOSA-N 1 0 409.512 -0.243 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000581456864 1068491653 /nfs/dbraw/zinc/49/16/53/1068491653.db2.gz WUMPISXGDOXYDF-CUSZFKRNSA-N 1 0 402.499 -0.059 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000581456865 1068491542 /nfs/dbraw/zinc/49/15/42/1068491542.db2.gz WUMPISXGDOXYDF-HPFXQQBRSA-N 1 0 402.499 -0.059 20 0 HBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000581456866 1068491609 /nfs/dbraw/zinc/49/16/09/1068491609.db2.gz WUMPISXGDOXYDF-KONPQCLYSA-N 1 0 402.499 -0.059 20 0 HBADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000581456867 1068491693 /nfs/dbraw/zinc/49/16/93/1068491693.db2.gz WUMPISXGDOXYDF-LHHMISFZSA-N 1 0 402.499 -0.059 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000581482326 1068493634 /nfs/dbraw/zinc/49/36/34/1068493634.db2.gz FZSUZUGLMZGUFP-INIZCTEOSA-N 1 0 410.606 -0.302 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000581482327 1068493511 /nfs/dbraw/zinc/49/35/11/1068493511.db2.gz FZSUZUGLMZGUFP-MRXNPFEDSA-N 1 0 410.606 -0.302 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000581502260 1068494192 /nfs/dbraw/zinc/49/41/92/1068494192.db2.gz HJSNEQFQQQTRJG-CYBMUJFWSA-N 1 0 402.542 -0.039 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000581502261 1068494476 /nfs/dbraw/zinc/49/44/76/1068494476.db2.gz HJSNEQFQQQTRJG-ZDUSSCGKSA-N 1 0 402.542 -0.039 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1=O ZINC000581504494 1068494377 /nfs/dbraw/zinc/49/43/77/1068494377.db2.gz NHQXHIJVWJNEAU-INIZCTEOSA-N 1 0 401.471 -0.500 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1=O ZINC000581504495 1068494220 /nfs/dbraw/zinc/49/42/20/1068494220.db2.gz NHQXHIJVWJNEAU-MRXNPFEDSA-N 1 0 401.471 -0.500 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581512330 1068495232 /nfs/dbraw/zinc/49/52/32/1068495232.db2.gz WPBNJOQXHQDZGD-KBPBESRZSA-N 1 0 402.904 -0.052 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581512331 1068495158 /nfs/dbraw/zinc/49/51/58/1068495158.db2.gz WPBNJOQXHQDZGD-KGLIPLIRSA-N 1 0 402.904 -0.052 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581512332 1068495039 /nfs/dbraw/zinc/49/50/39/1068495039.db2.gz WPBNJOQXHQDZGD-UONOGXRCSA-N 1 0 402.904 -0.052 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581512333 1068495183 /nfs/dbraw/zinc/49/51/83/1068495183.db2.gz WPBNJOQXHQDZGD-ZIAGYGMSSA-N 1 0 402.904 -0.052 20 0 HBADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000581515469 1068495293 /nfs/dbraw/zinc/49/52/93/1068495293.db2.gz RTWCBVOSGKTTJU-HZPDHXFCSA-N 1 0 400.545 -0.283 20 0 HBADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000581515470 1068495286 /nfs/dbraw/zinc/49/52/86/1068495286.db2.gz RTWCBVOSGKTTJU-JKSUJKDBSA-N 1 0 400.545 -0.283 20 0 HBADRO CN1C(=O)COc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000581527133 1068495931 /nfs/dbraw/zinc/49/59/31/1068495931.db2.gz TZXKAMLWCFVLTB-UHFFFAOYSA-N 1 0 408.455 -0.621 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573850 1068499366 /nfs/dbraw/zinc/49/93/66/1068499366.db2.gz PFKPEHNVJSDZTL-AEFFLSMTSA-N 1 0 407.559 -0.012 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573851 1068499650 /nfs/dbraw/zinc/49/96/50/1068499650.db2.gz PFKPEHNVJSDZTL-FUHWJXTLSA-N 1 0 407.559 -0.012 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573852 1068499703 /nfs/dbraw/zinc/49/97/03/1068499703.db2.gz PFKPEHNVJSDZTL-SJLPKXTDSA-N 1 0 407.559 -0.012 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573853 1068499510 /nfs/dbraw/zinc/49/95/10/1068499510.db2.gz PFKPEHNVJSDZTL-WMZOPIPTSA-N 1 0 407.559 -0.012 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c1=O ZINC000581575947 1068500574 /nfs/dbraw/zinc/50/05/74/1068500574.db2.gz KLTXIRNJKMFSIH-HNNXBMFYSA-N 1 0 404.515 -0.335 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)c1=O ZINC000581575948 1068500773 /nfs/dbraw/zinc/50/07/73/1068500773.db2.gz KLTXIRNJKMFSIH-OAHLLOKOSA-N 1 0 404.515 -0.335 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000581600050 1068501375 /nfs/dbraw/zinc/50/13/75/1068501375.db2.gz YRRDOCZEQOSQPU-UHFFFAOYSA-N 1 0 412.516 -0.462 20 0 HBADRO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC(=O)N1C ZINC000581621221 1068502887 /nfs/dbraw/zinc/50/28/87/1068502887.db2.gz IFNTWBODECGFNU-BEFAXECRSA-N 1 0 402.499 -0.294 20 0 HBADRO Cn1nccc1[C@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC(=O)N1C ZINC000581621222 1068502803 /nfs/dbraw/zinc/50/28/03/1068502803.db2.gz IFNTWBODECGFNU-DNVCBOLYSA-N 1 0 402.499 -0.294 20 0 HBADRO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC(=O)N1C ZINC000581621223 1068502560 /nfs/dbraw/zinc/50/25/60/1068502560.db2.gz IFNTWBODECGFNU-HNAYVOBHSA-N 1 0 402.499 -0.294 20 0 HBADRO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC(=O)N1C ZINC000581621224 1068502601 /nfs/dbraw/zinc/50/26/01/1068502601.db2.gz IFNTWBODECGFNU-KXBFYZLASA-N 1 0 402.499 -0.294 20 0 HBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000581622130 1068503355 /nfs/dbraw/zinc/50/33/55/1068503355.db2.gz UEUQEYUCZCOBHW-UHFFFAOYSA-N 1 0 401.511 -0.213 20 0 HBADRO Cc1cnc(CCNC(=O)C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nc1 ZINC000581631814 1068505196 /nfs/dbraw/zinc/50/51/96/1068505196.db2.gz RWUYPMJVJWHSSB-GOSISDBHSA-N 1 0 418.542 -0.303 20 0 HBADRO Cc1cnc(CCNC(=O)C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nc1 ZINC000581631815 1068505032 /nfs/dbraw/zinc/50/50/32/1068505032.db2.gz RWUYPMJVJWHSSB-SFHVURJKSA-N 1 0 418.542 -0.303 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000581657673 1068506925 /nfs/dbraw/zinc/50/69/25/1068506925.db2.gz HWUMPFOIPMVLFJ-UHFFFAOYSA-N 1 0 407.437 -0.289 20 0 HBADRO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000581658367 1068507103 /nfs/dbraw/zinc/50/71/03/1068507103.db2.gz KBYDWAHNTDEXFV-CABCVRRESA-N 1 0 410.515 -0.120 20 0 HBADRO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000581658368 1068506660 /nfs/dbraw/zinc/50/66/60/1068506660.db2.gz KBYDWAHNTDEXFV-GJZGRUSLSA-N 1 0 410.515 -0.120 20 0 HBADRO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000581658369 1068507064 /nfs/dbraw/zinc/50/70/64/1068507064.db2.gz KBYDWAHNTDEXFV-HUUCEWRRSA-N 1 0 410.515 -0.120 20 0 HBADRO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000581658370 1068507442 /nfs/dbraw/zinc/50/74/42/1068507442.db2.gz KBYDWAHNTDEXFV-LSDHHAIUSA-N 1 0 410.515 -0.120 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCCn1ccnc1 ZINC000581671685 1068508537 /nfs/dbraw/zinc/50/85/37/1068508537.db2.gz DMZIBLSDGREWAL-UHFFFAOYSA-N 1 0 400.487 -0.492 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000581672906 1068508703 /nfs/dbraw/zinc/50/87/03/1068508703.db2.gz GVDGAGPGXFBBLJ-UHFFFAOYSA-N 1 0 407.559 -0.153 20 0 HBADRO C[NH+]1CCC([C@@H]2CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2)CC1 ZINC000581683891 1068509717 /nfs/dbraw/zinc/50/97/17/1068509717.db2.gz LENQCDHZHQKRHZ-CDUMDVBJSA-N 1 0 418.498 -0.394 20 0 HBADRO C[NH+]1CCC([C@H]2CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2)CC1 ZINC000581683892 1068509844 /nfs/dbraw/zinc/50/98/44/1068509844.db2.gz LENQCDHZHQKRHZ-SWQDORGXSA-N 1 0 418.498 -0.394 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000581689252 1068510235 /nfs/dbraw/zinc/51/02/35/1068510235.db2.gz ILMVHAUCGYKQTM-MSOLQXFVSA-N 1 0 423.558 -0.849 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000581689253 1068510337 /nfs/dbraw/zinc/51/03/37/1068510337.db2.gz ILMVHAUCGYKQTM-QZTJIDSGSA-N 1 0 423.558 -0.849 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000581689254 1068510387 /nfs/dbraw/zinc/51/03/87/1068510387.db2.gz ILMVHAUCGYKQTM-ROUUACIJSA-N 1 0 423.558 -0.849 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000581689255 1068510903 /nfs/dbraw/zinc/51/09/03/1068510903.db2.gz ILMVHAUCGYKQTM-ZWKOTPCHSA-N 1 0 423.558 -0.849 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000581691506 1068510873 /nfs/dbraw/zinc/51/08/73/1068510873.db2.gz CWZXSCZNAQJEJO-INMHGKMJSA-N 1 0 406.487 -0.872 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000581691507 1068511039 /nfs/dbraw/zinc/51/10/39/1068511039.db2.gz CWZXSCZNAQJEJO-UXLLHSPISA-N 1 0 406.487 -0.872 20 0 HBADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000581779517 1068521869 /nfs/dbraw/zinc/52/18/69/1068521869.db2.gz MMCBERQHLTTWAP-UHFFFAOYSA-N 1 0 409.295 -0.099 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000581828642 1069570487 /nfs/dbraw/zinc/57/04/87/1069570487.db2.gz JQYDTYNLYXKDAP-AWEZNQCLSA-N 1 0 406.487 0.261 20 0 HBADRO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000581828643 1069570363 /nfs/dbraw/zinc/57/03/63/1069570363.db2.gz JQYDTYNLYXKDAP-CQSZACIVSA-N 1 0 406.487 0.261 20 0 HBADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000581831061 1068524024 /nfs/dbraw/zinc/52/40/24/1068524024.db2.gz YRPONQJPTHJBDJ-UHFFFAOYSA-N 1 0 415.516 -0.552 20 0 HBADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581875262 1068531574 /nfs/dbraw/zinc/53/15/74/1068531574.db2.gz PJABNHQCULZESS-KRWDZBQOSA-N 1 0 414.514 -0.104 20 0 HBADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581875263 1068531796 /nfs/dbraw/zinc/53/17/96/1068531796.db2.gz PJABNHQCULZESS-QGZVFWFLSA-N 1 0 414.514 -0.104 20 0 HBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000581875831 1068531701 /nfs/dbraw/zinc/53/17/01/1068531701.db2.gz LQURALITFCMXBI-UHFFFAOYSA-N 1 0 402.499 -0.114 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000581897935 1068538456 /nfs/dbraw/zinc/53/84/56/1068538456.db2.gz YSUCFBFANWAFKJ-CABCVRRESA-N 1 0 421.498 -0.047 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000581897936 1068538380 /nfs/dbraw/zinc/53/83/80/1068538380.db2.gz YSUCFBFANWAFKJ-GJZGRUSLSA-N 1 0 421.498 -0.047 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000581897937 1068538181 /nfs/dbraw/zinc/53/81/81/1068538181.db2.gz YSUCFBFANWAFKJ-HUUCEWRRSA-N 1 0 421.498 -0.047 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000581897938 1068538512 /nfs/dbraw/zinc/53/85/12/1068538512.db2.gz YSUCFBFANWAFKJ-LSDHHAIUSA-N 1 0 421.498 -0.047 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)CC2)CC1 ZINC000581900517 1068539079 /nfs/dbraw/zinc/53/90/79/1068539079.db2.gz CCGAOSFTYPYLJH-UHFFFAOYSA-N 1 0 422.574 -0.931 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C1=O ZINC000581905037 1068540998 /nfs/dbraw/zinc/54/09/98/1068540998.db2.gz OSNQPGCJYBRSAI-CRAIPNDOSA-N 1 0 402.495 -0.051 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1=O ZINC000581905038 1068540747 /nfs/dbraw/zinc/54/07/47/1068540747.db2.gz OSNQPGCJYBRSAI-MAUKXSAKSA-N 1 0 402.495 -0.051 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C1=O ZINC000581905039 1068540868 /nfs/dbraw/zinc/54/08/68/1068540868.db2.gz OSNQPGCJYBRSAI-QAPCUYQASA-N 1 0 402.495 -0.051 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C1=O ZINC000581905040 1068540977 /nfs/dbraw/zinc/54/09/77/1068540977.db2.gz OSNQPGCJYBRSAI-YJBOKZPZSA-N 1 0 402.495 -0.051 20 0 HBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000581907965 1068541475 /nfs/dbraw/zinc/54/14/75/1068541475.db2.gz NIUHRGPYAQLSJB-HNNXBMFYSA-N 1 0 424.546 -0.741 20 0 HBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000581907966 1068541398 /nfs/dbraw/zinc/54/13/98/1068541398.db2.gz NIUHRGPYAQLSJB-OAHLLOKOSA-N 1 0 424.546 -0.741 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581910132 1068541764 /nfs/dbraw/zinc/54/17/64/1068541764.db2.gz KIJPLINPZYBHRO-BHYGNILZSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581910133 1068542037 /nfs/dbraw/zinc/54/20/37/1068542037.db2.gz KIJPLINPZYBHRO-UAGQMJEPSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581910134 1068541995 /nfs/dbraw/zinc/54/19/95/1068541995.db2.gz KIJPLINPZYBHRO-USXIJHARSA-N 1 0 408.524 -0.097 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581910135 1068541845 /nfs/dbraw/zinc/54/18/45/1068541845.db2.gz KIJPLINPZYBHRO-XIRDDKMYSA-N 1 0 408.524 -0.097 20 0 HBADRO C[N@H+](C[C@H](O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CC1 ZINC000581912585 1068542468 /nfs/dbraw/zinc/54/24/68/1068542468.db2.gz RQYKZVBATJCBRW-HNNXBMFYSA-N 1 0 424.523 -0.221 20 0 HBADRO C[N@H+](C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CC1 ZINC000581912586 1068542561 /nfs/dbraw/zinc/54/25/61/1068542561.db2.gz RQYKZVBATJCBRW-OAHLLOKOSA-N 1 0 424.523 -0.221 20 0 HBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000581957435 1068547033 /nfs/dbraw/zinc/54/70/33/1068547033.db2.gz INFQLDXIAGWYDF-KRWDZBQOSA-N 1 0 418.542 -0.371 20 0 HBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000581957436 1068547205 /nfs/dbraw/zinc/54/72/05/1068547205.db2.gz INFQLDXIAGWYDF-QGZVFWFLSA-N 1 0 418.542 -0.371 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000581961262 1068547750 /nfs/dbraw/zinc/54/77/50/1068547750.db2.gz OQHWISLFVHJZNG-UHFFFAOYSA-N 1 0 423.558 -0.585 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)S(C)(=O)=O ZINC000581962302 1068548342 /nfs/dbraw/zinc/54/83/42/1068548342.db2.gz UDBXNTXSVGKTKS-JZWPEALZSA-N 1 0 400.545 -0.695 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)S(C)(=O)=O ZINC000581962303 1068548202 /nfs/dbraw/zinc/54/82/02/1068548202.db2.gz UDBXNTXSVGKTKS-LSVZVQIISA-N 1 0 400.545 -0.695 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000581991685 1069680646 /nfs/dbraw/zinc/68/06/46/1069680646.db2.gz WTOMWORCBSEDJS-UHFFFAOYSA-N 1 0 411.510 0.067 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)CC2)n1 ZINC000582019901 1068646400 /nfs/dbraw/zinc/64/64/00/1068646400.db2.gz HLLLFDVSMHGFBO-AWEZNQCLSA-N 1 0 410.544 -0.024 20 0 HBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[N@@H+]3CCOC)CC2)n1 ZINC000582019902 1068646548 /nfs/dbraw/zinc/64/65/48/1068646548.db2.gz HLLLFDVSMHGFBO-CQSZACIVSA-N 1 0 410.544 -0.024 20 0 HBADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000582023038 1068646307 /nfs/dbraw/zinc/64/63/07/1068646307.db2.gz QKILVRNCJWRBSW-DLBZAZTESA-N 1 0 411.547 -0.742 20 0 HBADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000582023039 1068646511 /nfs/dbraw/zinc/64/65/11/1068646511.db2.gz QKILVRNCJWRBSW-IAGOWNOFSA-N 1 0 411.547 -0.742 20 0 HBADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000582023040 1068646448 /nfs/dbraw/zinc/64/64/48/1068646448.db2.gz QKILVRNCJWRBSW-IRXDYDNUSA-N 1 0 411.547 -0.742 20 0 HBADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000582023041 1068646128 /nfs/dbraw/zinc/64/61/28/1068646128.db2.gz QKILVRNCJWRBSW-SJORKVTESA-N 1 0 411.547 -0.742 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000582027731 1068647264 /nfs/dbraw/zinc/64/72/64/1068647264.db2.gz JDSLSBBCUUHZHG-UHFFFAOYSA-N 1 0 411.547 -0.477 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000582069820 1068650073 /nfs/dbraw/zinc/65/00/73/1068650073.db2.gz WRLVEDVRZBRKBB-UHFFFAOYSA-N 1 0 406.549 -0.657 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)N1CCOCC1 ZINC000582076212 1068651572 /nfs/dbraw/zinc/65/15/72/1068651572.db2.gz HBPKNIYWEPIHOW-IBGZPJMESA-N 1 0 411.591 -0.055 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)N1CCOCC1 ZINC000582076213 1069089066 /nfs/dbraw/zinc/08/90/66/1069089066.db2.gz HBPKNIYWEPIHOW-LJQANCHMSA-N 1 0 411.591 -0.055 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)n(C)n1 ZINC000582082297 1069090659 /nfs/dbraw/zinc/09/06/59/1069090659.db2.gz FAEDNWVIZDNGHZ-INIZCTEOSA-N 1 0 420.514 -0.481 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)n(C)n1 ZINC000582082298 1068652418 /nfs/dbraw/zinc/65/24/18/1068652418.db2.gz FAEDNWVIZDNGHZ-MRXNPFEDSA-N 1 0 420.514 -0.481 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000582086982 1068653996 /nfs/dbraw/zinc/65/39/96/1068653996.db2.gz PYYIURIEZNFSSN-HNNXBMFYSA-N 1 0 413.500 -0.703 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000582086983 1068653750 /nfs/dbraw/zinc/65/37/50/1068653750.db2.gz PYYIURIEZNFSSN-OAHLLOKOSA-N 1 0 413.500 -0.703 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000582088438 1069091631 /nfs/dbraw/zinc/09/16/31/1069091631.db2.gz JGMAMNDPCMICOE-AEFFLSMTSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000582088439 1068654036 /nfs/dbraw/zinc/65/40/36/1068654036.db2.gz JGMAMNDPCMICOE-FUHWJXTLSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000582088440 1068653964 /nfs/dbraw/zinc/65/39/64/1068653964.db2.gz JGMAMNDPCMICOE-SJLPKXTDSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000582088441 1068653841 /nfs/dbraw/zinc/65/38/41/1068653841.db2.gz JGMAMNDPCMICOE-WMZOPIPTSA-N 1 0 405.543 -0.258 20 0 HBADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000582136162 1068661078 /nfs/dbraw/zinc/66/10/78/1068661078.db2.gz CKCMIAHXUQZPLN-UHFFFAOYSA-N 1 0 405.547 -0.097 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000582139988 1068662666 /nfs/dbraw/zinc/66/26/66/1068662666.db2.gz OHOJVIRWILZLKG-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000582140793 1068661921 /nfs/dbraw/zinc/66/19/21/1068661921.db2.gz SCBIMCWKKBKTEG-KRWDZBQOSA-N 1 0 424.567 -0.188 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000582140794 1068662481 /nfs/dbraw/zinc/66/24/81/1068662481.db2.gz SCBIMCWKKBKTEG-QGZVFWFLSA-N 1 0 424.567 -0.188 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000582202583 1068669326 /nfs/dbraw/zinc/66/93/26/1068669326.db2.gz RUNBGVIGZTYODV-DYESRHJHSA-N 1 0 402.495 -0.146 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000582202584 1068669412 /nfs/dbraw/zinc/66/94/12/1068669412.db2.gz RUNBGVIGZTYODV-LAUBAEHRSA-N 1 0 402.495 -0.146 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000582202585 1068669484 /nfs/dbraw/zinc/66/94/84/1068669484.db2.gz RUNBGVIGZTYODV-UTKZUKDTSA-N 1 0 402.495 -0.146 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000582202586 1068669449 /nfs/dbraw/zinc/66/94/49/1068669449.db2.gz RUNBGVIGZTYODV-UWJYYQICSA-N 1 0 402.495 -0.146 20 0 HBADRO C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000582205448 1068669967 /nfs/dbraw/zinc/66/99/67/1068669967.db2.gz NGQLXXRFCXTJOE-CEXHIMGSSA-N 1 0 402.561 -0.388 20 0 HBADRO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000582205449 1068670133 /nfs/dbraw/zinc/67/01/33/1068670133.db2.gz NGQLXXRFCXTJOE-JGTBNHKDSA-N 1 0 402.561 -0.388 20 0 HBADRO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000582205450 1068670112 /nfs/dbraw/zinc/67/01/12/1068670112.db2.gz NGQLXXRFCXTJOE-PFUSGODGSA-N 1 0 402.561 -0.388 20 0 HBADRO C[C@H](C[S@](C)=O)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000582205451 1068670912 /nfs/dbraw/zinc/67/09/12/1068670912.db2.gz NGQLXXRFCXTJOE-QWVSSGJLSA-N 1 0 402.561 -0.388 20 0 HBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000582209959 1068670195 /nfs/dbraw/zinc/67/01/95/1068670195.db2.gz PSEAPHSVHOHUDB-IAGOWNOFSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000582209960 1068670041 /nfs/dbraw/zinc/67/00/41/1068670041.db2.gz PSEAPHSVHOHUDB-SJORKVTESA-N 1 0 411.547 -0.776 20 0 HBADRO COC(=O)c1cc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1C ZINC000582268290 1068675559 /nfs/dbraw/zinc/67/55/59/1068675559.db2.gz HIXLNASWYCXSGU-UHFFFAOYSA-N 1 0 400.501 -0.057 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000582292836 1068677384 /nfs/dbraw/zinc/67/73/84/1068677384.db2.gz POKJCEIQKBHGJW-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000582292837 1068677352 /nfs/dbraw/zinc/67/73/52/1068677352.db2.gz POKJCEIQKBHGJW-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000582292838 1068677377 /nfs/dbraw/zinc/67/73/77/1068677377.db2.gz POKJCEIQKBHGJW-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000582292839 1068677211 /nfs/dbraw/zinc/67/72/11/1068677211.db2.gz POKJCEIQKBHGJW-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000582314472 1068678919 /nfs/dbraw/zinc/67/89/19/1068678919.db2.gz ZAJAPTPPXOYMPQ-KRWDZBQOSA-N 1 0 401.577 -0.113 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000582314473 1068678770 /nfs/dbraw/zinc/67/87/70/1068678770.db2.gz ZAJAPTPPXOYMPQ-QGZVFWFLSA-N 1 0 401.577 -0.113 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)c1C ZINC000582324843 1068679413 /nfs/dbraw/zinc/67/94/13/1068679413.db2.gz KRXAWOKUEYARMT-UHFFFAOYSA-N 1 0 413.544 -0.111 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1 ZINC000582331094 1068680360 /nfs/dbraw/zinc/68/03/60/1068680360.db2.gz ZSRUSUVRISFUOD-KRWDZBQOSA-N 1 0 400.382 -0.449 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1 ZINC000582331095 1068680495 /nfs/dbraw/zinc/68/04/95/1068680495.db2.gz ZSRUSUVRISFUOD-QGZVFWFLSA-N 1 0 400.382 -0.449 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000582367472 1068685286 /nfs/dbraw/zinc/68/52/86/1068685286.db2.gz OPUQDVBKKIENOL-CYBMUJFWSA-N 1 0 407.437 -0.592 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000582367473 1068685351 /nfs/dbraw/zinc/68/53/51/1068685351.db2.gz OPUQDVBKKIENOL-ZDUSSCGKSA-N 1 0 407.437 -0.592 20 0 HBADRO Cc1n[nH]cc1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582375007 1068686074 /nfs/dbraw/zinc/68/60/74/1068686074.db2.gz RAZDTOZMGAXLKK-UHFFFAOYSA-N 1 0 400.487 -0.157 20 0 HBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000582375200 1068686109 /nfs/dbraw/zinc/68/61/09/1068686109.db2.gz AWFKRLSYIQGXFE-UHFFFAOYSA-N 1 0 423.539 -0.237 20 0 HBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000582376929 1068685913 /nfs/dbraw/zinc/68/59/13/1068685913.db2.gz LAXUCPARPINJNS-UHFFFAOYSA-N 1 0 407.515 -0.828 20 0 HBADRO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000582378524 1068685890 /nfs/dbraw/zinc/68/58/90/1068685890.db2.gz JKRKNKHZUBGANY-UHFFFAOYSA-N 1 0 424.523 -0.332 20 0 HBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCCC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000582392972 1068688868 /nfs/dbraw/zinc/68/88/68/1068688868.db2.gz GIQRNUXDGXSJQT-UHFFFAOYSA-N 1 0 408.543 -0.118 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000582435135 1068691660 /nfs/dbraw/zinc/69/16/60/1068691660.db2.gz ZJLJLPZHFBPBOV-IBGZPJMESA-N 1 0 413.588 -0.448 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000582435136 1068692269 /nfs/dbraw/zinc/69/22/69/1068692269.db2.gz ZJLJLPZHFBPBOV-LJQANCHMSA-N 1 0 413.588 -0.448 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000582438876 1068692287 /nfs/dbraw/zinc/69/22/87/1068692287.db2.gz PWUIAWBCXAGIFA-UHFFFAOYSA-N 1 0 400.501 -0.753 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000582443216 1068693716 /nfs/dbraw/zinc/69/37/16/1068693716.db2.gz DCERRSFOCPJGJE-CABCVRRESA-N 1 0 404.467 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000582443217 1068693595 /nfs/dbraw/zinc/69/35/95/1068693595.db2.gz DCERRSFOCPJGJE-GJZGRUSLSA-N 1 0 404.467 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000582443218 1068693830 /nfs/dbraw/zinc/69/38/30/1068693830.db2.gz DCERRSFOCPJGJE-HUUCEWRRSA-N 1 0 404.467 -0.246 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000582443219 1068693619 /nfs/dbraw/zinc/69/36/19/1068693619.db2.gz DCERRSFOCPJGJE-LSDHHAIUSA-N 1 0 404.467 -0.246 20 0 HBADRO Cc1c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccn(C)n1 ZINC000582477202 1068697604 /nfs/dbraw/zinc/69/76/04/1068697604.db2.gz GDLNVZDSWJDLEM-AWEZNQCLSA-N 1 0 409.516 -0.110 20 0 HBADRO Cc1c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccn(C)n1 ZINC000582477203 1068697394 /nfs/dbraw/zinc/69/73/94/1068697394.db2.gz GDLNVZDSWJDLEM-CQSZACIVSA-N 1 0 409.516 -0.110 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)ccn2)CC1 ZINC000582511118 1068699718 /nfs/dbraw/zinc/69/97/18/1068699718.db2.gz KVZVWZMFQNGAIL-GOSISDBHSA-N 1 0 416.526 -0.504 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)ccn2)CC1 ZINC000582511119 1068699627 /nfs/dbraw/zinc/69/96/27/1068699627.db2.gz KVZVWZMFQNGAIL-SFHVURJKSA-N 1 0 416.526 -0.504 20 0 HBADRO COCCCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000582519344 1068699637 /nfs/dbraw/zinc/69/96/37/1068699637.db2.gz LNHGMAGLKPNJRI-UHFFFAOYSA-N 1 0 420.514 -0.217 20 0 HBADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000582567462 1068703297 /nfs/dbraw/zinc/70/32/97/1068703297.db2.gz PHHIRPUKMYSQMF-KZNAEPCWSA-N 1 0 400.479 -0.394 20 0 HBADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000582567463 1068703545 /nfs/dbraw/zinc/70/35/45/1068703545.db2.gz PHHIRPUKMYSQMF-RCCFBDPRSA-N 1 0 400.479 -0.394 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1C ZINC000582570569 1068703518 /nfs/dbraw/zinc/70/35/18/1068703518.db2.gz JHBWNFNNBDEGRO-CQSZACIVSA-N 1 0 400.483 0.513 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NCCCN2CC[NH2+]CC2)cc1OC ZINC000582598338 1068706172 /nfs/dbraw/zinc/70/61/72/1068706172.db2.gz UQIJAQJXDOATNP-UHFFFAOYSA-N 1 0 414.528 -0.216 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@]2(CCOC2)O1 ZINC000582620293 1068711971 /nfs/dbraw/zinc/71/19/71/1068711971.db2.gz CJNXSHREXFATMK-HRAATJIYSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@]2(CCOC2)O1 ZINC000582620295 1068712103 /nfs/dbraw/zinc/71/21/03/1068712103.db2.gz CJNXSHREXFATMK-IERDGZPVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@]2(CCOC2)O1 ZINC000582620296 1068712221 /nfs/dbraw/zinc/71/22/21/1068712221.db2.gz CJNXSHREXFATMK-IIBYNOLFSA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@]2(CCOC2)O1 ZINC000582620298 1068712172 /nfs/dbraw/zinc/71/21/72/1068712172.db2.gz CJNXSHREXFATMK-KKSFZXQISA-N 1 0 417.510 -0.144 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000582620858 1068712077 /nfs/dbraw/zinc/71/20/77/1068712077.db2.gz UFZSKKDRABBYMX-OAHLLOKOSA-N 1 0 403.483 -0.361 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000582621586 1068711988 /nfs/dbraw/zinc/71/19/88/1068711988.db2.gz LMVRQEMBAIPCQY-INIZCTEOSA-N 1 0 406.506 -0.131 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000582621589 1068712261 /nfs/dbraw/zinc/71/22/61/1068712261.db2.gz LMVRQEMBAIPCQY-MRXNPFEDSA-N 1 0 406.506 -0.131 20 0 HBADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CCOC)CC[NH+](C)C)cn1 ZINC000582631713 1068714182 /nfs/dbraw/zinc/71/41/82/1068714182.db2.gz URRLNYNXQXHBFQ-WBVHZDCISA-N 1 0 408.503 -0.625 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000582632283 1068713146 /nfs/dbraw/zinc/71/31/46/1068713146.db2.gz BUJAYVKLXWMCOE-KRWDZBQOSA-N 1 0 410.540 -0.053 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000582632284 1068713316 /nfs/dbraw/zinc/71/33/16/1068713316.db2.gz BUJAYVKLXWMCOE-QGZVFWFLSA-N 1 0 410.540 -0.053 20 0 HBADRO C[C@]1(C2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)NC(=O)NC1=O ZINC000582633187 1068713943 /nfs/dbraw/zinc/71/39/43/1068713943.db2.gz OBLKBGWJVMYFOX-FOIQADDNSA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@]1(C2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)NC(=O)NC1=O ZINC000582633188 1068714026 /nfs/dbraw/zinc/71/40/26/1068714026.db2.gz OBLKBGWJVMYFOX-MGPUTAFESA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@@]1(C2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)NC(=O)NC1=O ZINC000582633189 1068713700 /nfs/dbraw/zinc/71/37/00/1068713700.db2.gz OBLKBGWJVMYFOX-QRWLVFNGSA-N 1 0 405.499 -0.044 20 0 HBADRO C[C@@]1(C2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)NC(=O)NC1=O ZINC000582633190 1068713794 /nfs/dbraw/zinc/71/37/94/1068713794.db2.gz OBLKBGWJVMYFOX-YWZLYKJASA-N 1 0 405.499 -0.044 20 0 HBADRO COC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000582635469 1068714150 /nfs/dbraw/zinc/71/41/50/1068714150.db2.gz SBLVVTYCJJLPNX-AUUYWEPGSA-N 1 0 412.487 -0.277 20 0 HBADRO COC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000582635470 1068714116 /nfs/dbraw/zinc/71/41/16/1068714116.db2.gz SBLVVTYCJJLPNX-IFXJQAMLSA-N 1 0 412.487 -0.277 20 0 HBADRO COC(=O)CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000582635471 1068713870 /nfs/dbraw/zinc/71/38/70/1068713870.db2.gz SBLVVTYCJJLPNX-KUHUBIRLSA-N 1 0 412.487 -0.277 20 0 HBADRO COC(=O)CC[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000582635472 1068713750 /nfs/dbraw/zinc/71/37/50/1068713750.db2.gz SBLVVTYCJJLPNX-LIRRHRJNSA-N 1 0 412.487 -0.277 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1cccs1 ZINC000582679010 1068716454 /nfs/dbraw/zinc/71/64/54/1068716454.db2.gz DALBCPIVVKXMQR-AWEZNQCLSA-N 1 0 421.523 -0.584 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1cccs1 ZINC000582679011 1068716324 /nfs/dbraw/zinc/71/63/24/1068716324.db2.gz DALBCPIVVKXMQR-CQSZACIVSA-N 1 0 421.523 -0.584 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1)N1CCOCC1 ZINC000582683337 1068716546 /nfs/dbraw/zinc/71/65/46/1068716546.db2.gz RYEVZJGNTLWTBT-KRWDZBQOSA-N 1 0 424.567 -0.267 20 0 HBADRO O=C(C(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1)N1CCOCC1 ZINC000582683340 1068716843 /nfs/dbraw/zinc/71/68/43/1068716843.db2.gz RYEVZJGNTLWTBT-QGZVFWFLSA-N 1 0 424.567 -0.267 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000582716322 1068720374 /nfs/dbraw/zinc/72/03/74/1068720374.db2.gz LLXJPCUNCSVXMD-INIZCTEOSA-N 1 0 418.560 -0.655 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000582717236 1068719964 /nfs/dbraw/zinc/71/99/64/1068719964.db2.gz JDNHUXOWUCXLJV-UHFFFAOYSA-N 1 0 421.420 -0.764 20 0 HBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C2 ZINC000582718611 1068720646 /nfs/dbraw/zinc/72/06/46/1068720646.db2.gz UGZGTTZXJBATBS-UHFFFAOYSA-N 1 0 419.530 -0.328 20 0 HBADRO CSC1(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[NH+](C)CC1 ZINC000582733023 1068722523 /nfs/dbraw/zinc/72/25/23/1068722523.db2.gz PMMBQXCTAXQQRD-UHFFFAOYSA-N 1 0 413.588 0.000 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000582740874 1068723703 /nfs/dbraw/zinc/72/37/03/1068723703.db2.gz ZNNKPVUNQGENMX-AWEZNQCLSA-N 1 0 400.483 -0.570 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000582740875 1068723595 /nfs/dbraw/zinc/72/35/95/1068723595.db2.gz ZNNKPVUNQGENMX-CQSZACIVSA-N 1 0 400.483 -0.570 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000582741115 1068723560 /nfs/dbraw/zinc/72/35/60/1068723560.db2.gz MMMPZUBJKLRFEG-GOSISDBHSA-N 1 0 404.511 -0.017 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1=O ZINC000582741116 1068723656 /nfs/dbraw/zinc/72/36/56/1068723656.db2.gz MMMPZUBJKLRFEG-SFHVURJKSA-N 1 0 404.511 -0.017 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)ccn1 ZINC000582748259 1068724370 /nfs/dbraw/zinc/72/43/70/1068724370.db2.gz ZOEMEYUMEPUQCI-UHFFFAOYSA-N 1 0 413.482 -0.223 20 0 HBADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000582776098 1068726766 /nfs/dbraw/zinc/72/67/66/1068726766.db2.gz HGGPZEUIYKLDPL-UHFFFAOYSA-N 1 0 407.446 -0.029 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000582799255 1068728433 /nfs/dbraw/zinc/72/84/33/1068728433.db2.gz LTLOHLILEUNNMV-UHFFFAOYSA-N 1 0 405.503 -0.911 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C[NH+]1CCCC1 ZINC000582805774 1068728753 /nfs/dbraw/zinc/72/87/53/1068728753.db2.gz PTAOODPKMDSBEA-UHFFFAOYSA-N 1 0 415.516 -0.552 20 0 HBADRO C[C@@H](CCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCCCC1 ZINC000582805929 1068728264 /nfs/dbraw/zinc/72/82/64/1068728264.db2.gz URCSYQMZESZVPO-INIZCTEOSA-N 1 0 404.515 -0.190 20 0 HBADRO C[C@H](CCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCCCC1 ZINC000582805930 1068728239 /nfs/dbraw/zinc/72/82/39/1068728239.db2.gz URCSYQMZESZVPO-MRXNPFEDSA-N 1 0 404.515 -0.190 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000582837009 1068732311 /nfs/dbraw/zinc/73/23/11/1068732311.db2.gz BHNVUUXJKJIAJN-UHFFFAOYSA-N 1 0 409.531 -0.626 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)CC1 ZINC000582859186 1068732808 /nfs/dbraw/zinc/73/28/08/1068732808.db2.gz WADYYLSRJDFPLQ-KRWDZBQOSA-N 1 0 416.526 -0.229 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)CC1 ZINC000582859187 1068733153 /nfs/dbraw/zinc/73/31/53/1068733153.db2.gz WADYYLSRJDFPLQ-QGZVFWFLSA-N 1 0 416.526 -0.229 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)cn2)CC1 ZINC000582859899 1068733257 /nfs/dbraw/zinc/73/32/57/1068733257.db2.gz HBTRBUJVFLNTMF-UHFFFAOYSA-N 1 0 419.530 -0.431 20 0 HBADRO C[NH+](C)CC1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000582862620 1068733871 /nfs/dbraw/zinc/73/38/71/1068733871.db2.gz SIXBVOGNFFJCMS-UIKOTCIDSA-N 1 0 406.487 -0.030 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000582870134 1068734813 /nfs/dbraw/zinc/73/48/13/1068734813.db2.gz AQECTILAUAGWJJ-UHFFFAOYSA-N 1 0 407.519 -0.834 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c1 ZINC000582893215 1068735972 /nfs/dbraw/zinc/73/59/72/1068735972.db2.gz GFAIAYQHPHMRQQ-INIZCTEOSA-N 1 0 412.512 -0.482 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c1 ZINC000582893218 1068736074 /nfs/dbraw/zinc/73/60/74/1068736074.db2.gz GFAIAYQHPHMRQQ-MRXNPFEDSA-N 1 0 412.512 -0.482 20 0 HBADRO COCCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000582896827 1068736553 /nfs/dbraw/zinc/73/65/53/1068736553.db2.gz JEUARSRFLFQBRH-UHFFFAOYSA-N 1 0 421.498 -0.038 20 0 HBADRO CC[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926421 1068741058 /nfs/dbraw/zinc/74/10/58/1068741058.db2.gz ZSTWQBANYDUIRL-KRWDZBQOSA-N 1 0 411.547 -0.776 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926422 1068740973 /nfs/dbraw/zinc/74/09/73/1068740973.db2.gz ZSTWQBANYDUIRL-QGZVFWFLSA-N 1 0 411.547 -0.776 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000582954901 1068744637 /nfs/dbraw/zinc/74/46/37/1068744637.db2.gz HNLSDBLJXSDTPS-KRWDZBQOSA-N 1 0 423.539 -0.298 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000582954906 1068745122 /nfs/dbraw/zinc/74/51/22/1068745122.db2.gz HNLSDBLJXSDTPS-QGZVFWFLSA-N 1 0 423.539 -0.298 20 0 HBADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000582954999 1068745228 /nfs/dbraw/zinc/74/52/28/1068745228.db2.gz AWVFMLGWBJUGTJ-HNNXBMFYSA-N 1 0 421.523 -0.485 20 0 HBADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000582955000 1068745327 /nfs/dbraw/zinc/74/53/27/1068745327.db2.gz AWVFMLGWBJUGTJ-OAHLLOKOSA-N 1 0 421.523 -0.485 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c(=O)n2C ZINC000582970451 1068746255 /nfs/dbraw/zinc/74/62/55/1068746255.db2.gz PBSJTUZRGYHXEG-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c(=O)n2C ZINC000582970454 1068747028 /nfs/dbraw/zinc/74/70/28/1068747028.db2.gz PBSJTUZRGYHXEG-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000582971177 1068746976 /nfs/dbraw/zinc/74/69/76/1068746976.db2.gz URKGCKIXBRJCOU-MSOLQXFVSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000582971180 1068746907 /nfs/dbraw/zinc/74/69/07/1068746907.db2.gz URKGCKIXBRJCOU-QZTJIDSGSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000582971182 1068747191 /nfs/dbraw/zinc/74/71/91/1068747191.db2.gz URKGCKIXBRJCOU-ROUUACIJSA-N 1 0 415.542 -0.343 20 0 HBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000582971183 1068747098 /nfs/dbraw/zinc/74/70/98/1068747098.db2.gz URKGCKIXBRJCOU-ZWKOTPCHSA-N 1 0 415.542 -0.343 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978965 1068748116 /nfs/dbraw/zinc/74/81/16/1068748116.db2.gz GLTYWYSGALCAHJ-HKUYNNGSSA-N 1 0 401.511 -0.125 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978966 1068748207 /nfs/dbraw/zinc/74/82/07/1068748207.db2.gz GLTYWYSGALCAHJ-IEBWSBKVSA-N 1 0 401.511 -0.125 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978967 1068748394 /nfs/dbraw/zinc/74/83/94/1068748394.db2.gz GLTYWYSGALCAHJ-MJGOQNOKSA-N 1 0 401.511 -0.125 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978968 1068748049 /nfs/dbraw/zinc/74/80/49/1068748049.db2.gz GLTYWYSGALCAHJ-PKOBYXMFSA-N 1 0 401.511 -0.125 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000582982541 1068747520 /nfs/dbraw/zinc/74/75/20/1068747520.db2.gz WDECWRCAIIHNEZ-DLBZAZTESA-N 1 0 424.542 -0.158 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000582982542 1068747639 /nfs/dbraw/zinc/74/76/39/1068747639.db2.gz WDECWRCAIIHNEZ-IAGOWNOFSA-N 1 0 424.542 -0.158 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000582982543 1068747732 /nfs/dbraw/zinc/74/77/32/1068747732.db2.gz WDECWRCAIIHNEZ-IRXDYDNUSA-N 1 0 424.542 -0.158 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000582982544 1068747748 /nfs/dbraw/zinc/74/77/48/1068747748.db2.gz WDECWRCAIIHNEZ-SJORKVTESA-N 1 0 424.542 -0.158 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000582986205 1068748349 /nfs/dbraw/zinc/74/83/49/1068748349.db2.gz KVMZLKCABRFANV-DLBZAZTESA-N 1 0 416.526 -0.028 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000582986206 1068748385 /nfs/dbraw/zinc/74/83/85/1068748385.db2.gz KVMZLKCABRFANV-IAGOWNOFSA-N 1 0 416.526 -0.028 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000582986207 1068748261 /nfs/dbraw/zinc/74/82/61/1068748261.db2.gz KVMZLKCABRFANV-IRXDYDNUSA-N 1 0 416.526 -0.028 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000582986208 1068748358 /nfs/dbraw/zinc/74/83/58/1068748358.db2.gz KVMZLKCABRFANV-SJORKVTESA-N 1 0 416.526 -0.028 20 0 HBADRO COc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1OCC(=O)NC(C)C ZINC000583036012 1068752989 /nfs/dbraw/zinc/75/29/89/1068752989.db2.gz VFXSGAGTHFAEPQ-CABCVRRESA-N 1 0 404.467 -0.017 20 0 HBADRO COc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OCC(=O)NC(C)C ZINC000583036013 1068753131 /nfs/dbraw/zinc/75/31/31/1068753131.db2.gz VFXSGAGTHFAEPQ-GJZGRUSLSA-N 1 0 404.467 -0.017 20 0 HBADRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OCC(=O)NC(C)C ZINC000583036014 1068753112 /nfs/dbraw/zinc/75/31/12/1068753112.db2.gz VFXSGAGTHFAEPQ-HUUCEWRRSA-N 1 0 404.467 -0.017 20 0 HBADRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OCC(=O)NC(C)C ZINC000583036015 1068753019 /nfs/dbraw/zinc/75/30/19/1068753019.db2.gz VFXSGAGTHFAEPQ-LSDHHAIUSA-N 1 0 404.467 -0.017 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000583037485 1068753095 /nfs/dbraw/zinc/75/30/95/1068753095.db2.gz FVEHEQNCPJDQIC-UHFFFAOYSA-N 1 0 408.524 -0.056 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CCOC[C@@H]3C)cn2)CC1 ZINC000583038077 1068753718 /nfs/dbraw/zinc/75/37/18/1068753718.db2.gz BZJCNTHSBYGHON-KRWDZBQOSA-N 1 0 418.542 -0.323 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CCOC[C@H]3C)cn2)CC1 ZINC000583038078 1068753525 /nfs/dbraw/zinc/75/35/25/1068753525.db2.gz BZJCNTHSBYGHON-QGZVFWFLSA-N 1 0 418.542 -0.323 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000583045101 1068754257 /nfs/dbraw/zinc/75/42/57/1068754257.db2.gz JHTNJUYMANLKQI-UHFFFAOYSA-N 1 0 414.503 -0.132 20 0 HBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000583091245 1068757211 /nfs/dbraw/zinc/75/72/11/1068757211.db2.gz NTBBSJVIWFIWFD-KRWDZBQOSA-N 1 0 416.526 -0.081 20 0 HBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000583091246 1068757402 /nfs/dbraw/zinc/75/74/02/1068757402.db2.gz NTBBSJVIWFIWFD-QGZVFWFLSA-N 1 0 416.526 -0.081 20 0 HBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCSC1 ZINC000583098712 1068757955 /nfs/dbraw/zinc/75/79/55/1068757955.db2.gz VWLRAANXTLPRLC-IBGZPJMESA-N 1 0 420.539 -0.617 20 0 HBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCSC1 ZINC000583098713 1068758122 /nfs/dbraw/zinc/75/81/22/1068758122.db2.gz VWLRAANXTLPRLC-LJQANCHMSA-N 1 0 420.539 -0.617 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000583102479 1068757977 /nfs/dbraw/zinc/75/79/77/1068757977.db2.gz DVKWAKZSKJXQNZ-AWEZNQCLSA-N 1 0 414.528 -0.284 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000583102480 1068757879 /nfs/dbraw/zinc/75/78/79/1068757879.db2.gz DVKWAKZSKJXQNZ-CQSZACIVSA-N 1 0 414.528 -0.284 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000583134684 1068761078 /nfs/dbraw/zinc/76/10/78/1068761078.db2.gz VOHITUYPGGPKKX-UHFFFAOYSA-N 1 0 409.575 -0.158 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000583134721 1068761828 /nfs/dbraw/zinc/76/18/28/1068761828.db2.gz XHJLAJBNWXWZBR-HOTGVXAUSA-N 1 0 410.515 -0.153 20 0 HBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000583134722 1068761906 /nfs/dbraw/zinc/76/19/06/1068761906.db2.gz XHJLAJBNWXWZBR-JKSUJKDBSA-N 1 0 410.515 -0.153 20 0 HBADRO COc1ccc(CN2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583155257 1068762989 /nfs/dbraw/zinc/76/29/89/1068762989.db2.gz OYMZJTGLPODNBJ-HKUYNNGSSA-N 1 0 401.511 -0.417 20 0 HBADRO COc1ccc(CN2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583155261 1068762916 /nfs/dbraw/zinc/76/29/16/1068762916.db2.gz OYMZJTGLPODNBJ-IEBWSBKVSA-N 1 0 401.511 -0.417 20 0 HBADRO COc1ccc(CN2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583155262 1068763144 /nfs/dbraw/zinc/76/31/44/1068763144.db2.gz OYMZJTGLPODNBJ-MJGOQNOKSA-N 1 0 401.511 -0.417 20 0 HBADRO COc1ccc(CN2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583155264 1068763231 /nfs/dbraw/zinc/76/32/31/1068763231.db2.gz OYMZJTGLPODNBJ-PKOBYXMFSA-N 1 0 401.511 -0.417 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583165500 1068764279 /nfs/dbraw/zinc/76/42/79/1068764279.db2.gz RKDLZJDQTYWEKM-CABCVRRESA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583165508 1068764428 /nfs/dbraw/zinc/76/44/28/1068764428.db2.gz RKDLZJDQTYWEKM-GJZGRUSLSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583165509 1068764166 /nfs/dbraw/zinc/76/41/66/1068764166.db2.gz RKDLZJDQTYWEKM-HUUCEWRRSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583165510 1068764193 /nfs/dbraw/zinc/76/41/93/1068764193.db2.gz RKDLZJDQTYWEKM-LSDHHAIUSA-N 1 0 400.545 -0.141 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000583169767 1068764968 /nfs/dbraw/zinc/76/49/68/1068764968.db2.gz CODRFFAZHGRTOS-DOMZBBRYSA-N 1 0 409.437 -0.452 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000583169769 1068765024 /nfs/dbraw/zinc/76/50/24/1068765024.db2.gz CODRFFAZHGRTOS-IUODEOHRSA-N 1 0 409.437 -0.452 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000583169771 1068765215 /nfs/dbraw/zinc/76/52/15/1068765215.db2.gz CODRFFAZHGRTOS-SWLSCSKDSA-N 1 0 409.437 -0.452 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000583169773 1068764879 /nfs/dbraw/zinc/76/48/79/1068764879.db2.gz CODRFFAZHGRTOS-WFASDCNBSA-N 1 0 409.437 -0.452 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1=CC[N@H+](C)CC1 ZINC000583171773 1068765163 /nfs/dbraw/zinc/76/51/63/1068765163.db2.gz FIDNKYSOUFNECC-AWEZNQCLSA-N 1 0 400.483 -0.404 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1=CC[N@H+](C)CC1 ZINC000583171774 1068765104 /nfs/dbraw/zinc/76/51/04/1068765104.db2.gz FIDNKYSOUFNECC-CQSZACIVSA-N 1 0 400.483 -0.404 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000583216549 1068768251 /nfs/dbraw/zinc/76/82/51/1068768251.db2.gz NDMGTFDHOCGAFB-HNNXBMFYSA-N 1 0 405.499 -0.059 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000583216550 1068768277 /nfs/dbraw/zinc/76/82/77/1068768277.db2.gz NDMGTFDHOCGAFB-OAHLLOKOSA-N 1 0 405.499 -0.059 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000583217208 1068768979 /nfs/dbraw/zinc/76/89/79/1068768979.db2.gz QGXMRXAFLZMYDX-UHFFFAOYSA-N 1 0 419.526 -0.430 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCC(C)CC1 ZINC000583217317 1068768726 /nfs/dbraw/zinc/76/87/26/1068768726.db2.gz VQAHGIJGLDDPTJ-GOSISDBHSA-N 1 0 417.558 -0.049 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[NH+]1CCC(C)CC1 ZINC000583217318 1068768903 /nfs/dbraw/zinc/76/89/03/1068768903.db2.gz VQAHGIJGLDDPTJ-SFHVURJKSA-N 1 0 417.558 -0.049 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)n1 ZINC000583219773 1068768197 /nfs/dbraw/zinc/76/81/97/1068768197.db2.gz BUQQZLJTNNILPK-UHFFFAOYSA-N 1 0 408.503 -0.292 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000583220478 1068768998 /nfs/dbraw/zinc/76/89/98/1068768998.db2.gz NJSDJUZHOUEHTO-UHFFFAOYSA-N 1 0 419.530 -0.522 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)c2ccccc2O1 ZINC000583225802 1068769460 /nfs/dbraw/zinc/76/94/60/1068769460.db2.gz BWOSNTJEZWCMJC-GOSISDBHSA-N 1 0 419.526 -0.132 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)c2ccccc2O1 ZINC000583225803 1068769617 /nfs/dbraw/zinc/76/96/17/1068769617.db2.gz BWOSNTJEZWCMJC-SFHVURJKSA-N 1 0 419.526 -0.132 20 0 HBADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cn1 ZINC000583231671 1068769633 /nfs/dbraw/zinc/76/96/33/1068769633.db2.gz MWYZYXZWOHDTIU-JZXOWHBKSA-N 1 0 420.514 -0.575 20 0 HBADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cn1 ZINC000583231672 1068769566 /nfs/dbraw/zinc/76/95/66/1068769566.db2.gz MWYZYXZWOHDTIU-NUJGCVRESA-N 1 0 420.514 -0.575 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277664 1068772720 /nfs/dbraw/zinc/77/27/20/1068772720.db2.gz GSWLZRLAJSVOLF-CEXWTWQISA-N 1 0 409.575 -0.254 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277665 1068772901 /nfs/dbraw/zinc/77/29/01/1068772901.db2.gz GSWLZRLAJSVOLF-GUDVDZBRSA-N 1 0 409.575 -0.254 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277666 1068772821 /nfs/dbraw/zinc/77/28/21/1068772821.db2.gz GSWLZRLAJSVOLF-QRVBRYPASA-N 1 0 409.575 -0.254 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277667 1068772689 /nfs/dbraw/zinc/77/26/89/1068772689.db2.gz GSWLZRLAJSVOLF-QYZOEREBSA-N 1 0 409.575 -0.254 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1=O ZINC000583280350 1068774060 /nfs/dbraw/zinc/77/40/60/1068774060.db2.gz SKGJIEIFRZWQBD-CABCVRRESA-N 1 0 406.487 -0.649 20 0 HBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1=O ZINC000583280351 1068774144 /nfs/dbraw/zinc/77/41/44/1068774144.db2.gz SKGJIEIFRZWQBD-GJZGRUSLSA-N 1 0 406.487 -0.649 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1=O ZINC000583280352 1068774128 /nfs/dbraw/zinc/77/41/28/1068774128.db2.gz SKGJIEIFRZWQBD-HUUCEWRRSA-N 1 0 406.487 -0.649 20 0 HBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1=O ZINC000583280353 1068773955 /nfs/dbraw/zinc/77/39/55/1068773955.db2.gz SKGJIEIFRZWQBD-LSDHHAIUSA-N 1 0 406.487 -0.649 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000583282644 1068774523 /nfs/dbraw/zinc/77/45/23/1068774523.db2.gz KUGIFRGWWUXSKO-IBGZPJMESA-N 1 0 419.526 -0.434 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000583282645 1068774691 /nfs/dbraw/zinc/77/46/91/1068774691.db2.gz KUGIFRGWWUXSKO-LJQANCHMSA-N 1 0 419.526 -0.434 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCN2CCOC(C)(C)C2)ccn1 ZINC000583285971 1068775199 /nfs/dbraw/zinc/77/51/99/1068775199.db2.gz XVQAEHFXWSRRJL-UHFFFAOYSA-N 1 0 407.515 -0.135 20 0 HBADRO CCc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)cs1 ZINC000583339923 1068777800 /nfs/dbraw/zinc/77/78/00/1068777800.db2.gz MLRBXIYOQKRXKE-INIZCTEOSA-N 1 0 408.572 -0.288 20 0 HBADRO CCc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)cs1 ZINC000583339924 1068223312 /nfs/dbraw/zinc/22/33/12/1068223312.db2.gz MLRBXIYOQKRXKE-MRXNPFEDSA-N 1 0 408.572 -0.288 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCO1 ZINC000583343515 1068778876 /nfs/dbraw/zinc/77/88/76/1068778876.db2.gz ZRXUEUNBJAHBEA-INIZCTEOSA-N 1 0 420.514 -0.954 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCO1 ZINC000583343516 1068778910 /nfs/dbraw/zinc/77/89/10/1068778910.db2.gz ZRXUEUNBJAHBEA-MRXNPFEDSA-N 1 0 420.514 -0.954 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)CCN2C1=O ZINC000583393120 1068782298 /nfs/dbraw/zinc/78/22/98/1068782298.db2.gz ZMIVXXYCCLOKNW-NEPJUHHUSA-N 1 0 423.267 -0.055 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)CCN2C1=O ZINC000583393121 1068782437 /nfs/dbraw/zinc/78/24/37/1068782437.db2.gz ZMIVXXYCCLOKNW-NWDGAFQWSA-N 1 0 423.267 -0.055 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)CCN2C1=O ZINC000583393122 1068783215 /nfs/dbraw/zinc/78/32/15/1068783215.db2.gz ZMIVXXYCCLOKNW-RYUDHWBXSA-N 1 0 423.267 -0.055 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)CCN2C1=O ZINC000583393123 1068783094 /nfs/dbraw/zinc/78/30/94/1068783094.db2.gz ZMIVXXYCCLOKNW-VXGBXAGGSA-N 1 0 423.267 -0.055 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583393135 1068783150 /nfs/dbraw/zinc/78/31/50/1068783150.db2.gz ZYEYDWCEDDZNEF-MSOLQXFVSA-N 1 0 415.494 -0.981 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583393136 1068783252 /nfs/dbraw/zinc/78/32/52/1068783252.db2.gz ZYEYDWCEDDZNEF-QZTJIDSGSA-N 1 0 415.494 -0.981 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583393137 1068783012 /nfs/dbraw/zinc/78/30/12/1068783012.db2.gz ZYEYDWCEDDZNEF-ROUUACIJSA-N 1 0 415.494 -0.981 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583393138 1068783116 /nfs/dbraw/zinc/78/31/16/1068783116.db2.gz ZYEYDWCEDDZNEF-ZWKOTPCHSA-N 1 0 415.494 -0.981 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000583399450 1068782926 /nfs/dbraw/zinc/78/29/26/1068782926.db2.gz PYOXJDFOJDGUMF-UHFFFAOYSA-N 1 0 420.518 -0.884 20 0 HBADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000583423518 1068785173 /nfs/dbraw/zinc/78/51/73/1068785173.db2.gz PDMGPCOBDNMHAZ-QGZVFWFLSA-N 1 0 418.608 -0.074 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000583457008 1068787295 /nfs/dbraw/zinc/78/72/95/1068787295.db2.gz KUAZLDSLJIUIJC-UHFFFAOYSA-N 1 0 406.487 -0.284 20 0 HBADRO CC[N@H+](CCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000583457526 1068787907 /nfs/dbraw/zinc/78/79/07/1068787907.db2.gz JNGVUNKCZSVNHN-UHFFFAOYSA-N 1 0 407.559 -0.010 20 0 HBADRO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)c1 ZINC000583457726 1068788043 /nfs/dbraw/zinc/78/80/43/1068788043.db2.gz VOKPEXWHEVWDGV-GDBMZVCRSA-N 1 0 403.483 -0.721 20 0 HBADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)c1 ZINC000583457727 1068787789 /nfs/dbraw/zinc/78/77/89/1068787789.db2.gz VOKPEXWHEVWDGV-GOEBONIOSA-N 1 0 403.483 -0.721 20 0 HBADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)c1 ZINC000583457728 1068787942 /nfs/dbraw/zinc/78/79/42/1068787942.db2.gz VOKPEXWHEVWDGV-HOCLYGCPSA-N 1 0 403.483 -0.721 20 0 HBADRO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)c1 ZINC000583457729 1068787760 /nfs/dbraw/zinc/78/77/60/1068787760.db2.gz VOKPEXWHEVWDGV-ZBFHGGJFSA-N 1 0 403.483 -0.721 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000583462917 1068788466 /nfs/dbraw/zinc/78/84/66/1068788466.db2.gz DTVCJQNANZQSIH-DLBZAZTESA-N 1 0 404.515 -0.452 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000583462918 1068788538 /nfs/dbraw/zinc/78/85/38/1068788538.db2.gz DTVCJQNANZQSIH-IAGOWNOFSA-N 1 0 404.515 -0.452 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000583462919 1068788354 /nfs/dbraw/zinc/78/83/54/1068788354.db2.gz DTVCJQNANZQSIH-IRXDYDNUSA-N 1 0 404.515 -0.452 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000583462920 1068788541 /nfs/dbraw/zinc/78/85/41/1068788541.db2.gz DTVCJQNANZQSIH-SJORKVTESA-N 1 0 404.515 -0.452 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000583463352 1068788007 /nfs/dbraw/zinc/78/80/07/1068788007.db2.gz YFAHLXLTWITWQS-FGTMMUONSA-N 1 0 422.526 -0.670 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000583463353 1068787878 /nfs/dbraw/zinc/78/78/78/1068787878.db2.gz YFAHLXLTWITWQS-KURKYZTESA-N 1 0 422.526 -0.670 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000583463354 1068787840 /nfs/dbraw/zinc/78/78/40/1068787840.db2.gz YFAHLXLTWITWQS-KZNAEPCWSA-N 1 0 422.526 -0.670 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000583463355 1068788024 /nfs/dbraw/zinc/78/80/24/1068788024.db2.gz YFAHLXLTWITWQS-SQNIBIBYSA-N 1 0 422.526 -0.670 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CC2 ZINC000583466609 1068789158 /nfs/dbraw/zinc/78/91/58/1068789158.db2.gz OMPRXADMZJHMCB-CABCVRRESA-N 1 0 408.503 -0.575 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CC2 ZINC000583466610 1068789183 /nfs/dbraw/zinc/78/91/83/1068789183.db2.gz OMPRXADMZJHMCB-GJZGRUSLSA-N 1 0 408.503 -0.575 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CC2 ZINC000583466611 1068789749 /nfs/dbraw/zinc/78/97/49/1068789749.db2.gz OMPRXADMZJHMCB-HUUCEWRRSA-N 1 0 408.503 -0.575 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CC2 ZINC000583466612 1068789829 /nfs/dbraw/zinc/78/98/29/1068789829.db2.gz OMPRXADMZJHMCB-LSDHHAIUSA-N 1 0 408.503 -0.575 20 0 HBADRO COCC1(O)CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000583516012 1068792611 /nfs/dbraw/zinc/79/26/11/1068792611.db2.gz HLXLKYRLGGQTRZ-UHFFFAOYSA-N 1 0 405.499 -0.551 20 0 HBADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000583519836 1068792082 /nfs/dbraw/zinc/79/20/82/1068792082.db2.gz SSRLYTFSBCIBCG-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1F ZINC000583529500 1068793209 /nfs/dbraw/zinc/79/32/09/1068793209.db2.gz NAVJJSZTIAKHNQ-UHFFFAOYSA-N 1 0 400.476 -0.393 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529855 1068793273 /nfs/dbraw/zinc/79/32/73/1068793273.db2.gz AGOUWZBWEFERRJ-DZGCQCFKSA-N 1 0 413.500 -0.847 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529856 1068793396 /nfs/dbraw/zinc/79/33/96/1068793396.db2.gz AGOUWZBWEFERRJ-HIFRSBDPSA-N 1 0 413.500 -0.847 20 0 HBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529857 1068793188 /nfs/dbraw/zinc/79/31/88/1068793188.db2.gz AGOUWZBWEFERRJ-UKRRQHHQSA-N 1 0 413.500 -0.847 20 0 HBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529858 1068793326 /nfs/dbraw/zinc/79/33/26/1068793326.db2.gz AGOUWZBWEFERRJ-ZFWWWQNUSA-N 1 0 413.500 -0.847 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1)N1CCOCC1 ZINC000583533470 1068793998 /nfs/dbraw/zinc/79/39/98/1068793998.db2.gz VICZZAICFJCOGV-GOSISDBHSA-N 1 0 421.542 -0.878 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1)N1CCOCC1 ZINC000583533471 1068793698 /nfs/dbraw/zinc/79/36/98/1068793698.db2.gz VICZZAICFJCOGV-SFHVURJKSA-N 1 0 421.542 -0.878 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000583541705 1068793796 /nfs/dbraw/zinc/79/37/96/1068793796.db2.gz VPRPHXYSJNJPEF-ZDUSSCGKSA-N 1 0 403.483 -0.099 20 0 HBADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000583575911 1068796164 /nfs/dbraw/zinc/79/61/64/1068796164.db2.gz WJEDMPCDFTXIFC-BBRMVZONSA-N 1 0 410.496 -0.476 20 0 HBADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000583575912 1068796340 /nfs/dbraw/zinc/79/63/40/1068796340.db2.gz WJEDMPCDFTXIFC-CJNGLKHVSA-N 1 0 410.496 -0.476 20 0 HBADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000583575913 1068796459 /nfs/dbraw/zinc/79/64/59/1068796459.db2.gz WJEDMPCDFTXIFC-CZUORRHYSA-N 1 0 410.496 -0.476 20 0 HBADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000583575914 1068796494 /nfs/dbraw/zinc/79/64/94/1068796494.db2.gz WJEDMPCDFTXIFC-XJKSGUPXSA-N 1 0 410.496 -0.476 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581670 1068796127 /nfs/dbraw/zinc/79/61/27/1068796127.db2.gz YXSDRYZCFVLRLM-MSOLQXFVSA-N 1 0 417.510 -0.084 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581671 1068796382 /nfs/dbraw/zinc/79/63/82/1068796382.db2.gz YXSDRYZCFVLRLM-QZTJIDSGSA-N 1 0 417.510 -0.084 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581672 1068796520 /nfs/dbraw/zinc/79/65/20/1068796520.db2.gz YXSDRYZCFVLRLM-ROUUACIJSA-N 1 0 417.510 -0.084 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581673 1068796255 /nfs/dbraw/zinc/79/62/55/1068796255.db2.gz YXSDRYZCFVLRLM-ZWKOTPCHSA-N 1 0 417.510 -0.084 20 0 HBADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000583585693 1068796997 /nfs/dbraw/zinc/79/69/97/1068796997.db2.gz KZVROAXSLKQTTP-GOSISDBHSA-N 1 0 400.479 -0.297 20 0 HBADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000583585694 1068797028 /nfs/dbraw/zinc/79/70/28/1068797028.db2.gz KZVROAXSLKQTTP-SFHVURJKSA-N 1 0 400.479 -0.297 20 0 HBADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000583586966 1068797613 /nfs/dbraw/zinc/79/76/13/1068797613.db2.gz QDYPTAHPHGSWPL-OAHLLOKOSA-N 1 0 404.558 -0.082 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000583588758 1068797570 /nfs/dbraw/zinc/79/75/70/1068797570.db2.gz PKFUJSHZLSBMBX-CVEARBPZSA-N 1 0 423.558 -0.240 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000583588759 1068797822 /nfs/dbraw/zinc/79/78/22/1068797822.db2.gz PKFUJSHZLSBMBX-HOTGVXAUSA-N 1 0 423.558 -0.240 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000583588760 1068797467 /nfs/dbraw/zinc/79/74/67/1068797467.db2.gz PKFUJSHZLSBMBX-HZPDHXFCSA-N 1 0 423.558 -0.240 20 0 HBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000583588761 1068797746 /nfs/dbraw/zinc/79/77/46/1068797746.db2.gz PKFUJSHZLSBMBX-JKSUJKDBSA-N 1 0 423.558 -0.240 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000583591137 1068797710 /nfs/dbraw/zinc/79/77/10/1068797710.db2.gz BKVPOKUZTPVRGX-UHFFFAOYSA-N 1 0 423.495 -0.961 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000583619368 1068805205 /nfs/dbraw/zinc/80/52/05/1068805205.db2.gz QBVPNSFYUUGRNL-KBPBESRZSA-N 1 0 421.464 -0.202 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000583619369 1068805485 /nfs/dbraw/zinc/80/54/85/1068805485.db2.gz QBVPNSFYUUGRNL-KGLIPLIRSA-N 1 0 421.464 -0.202 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000583619370 1068805564 /nfs/dbraw/zinc/80/55/64/1068805564.db2.gz QBVPNSFYUUGRNL-UONOGXRCSA-N 1 0 421.464 -0.202 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000583619371 1068805132 /nfs/dbraw/zinc/80/51/32/1068805132.db2.gz QBVPNSFYUUGRNL-ZIAGYGMSSA-N 1 0 421.464 -0.202 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000583665126 1068818133 /nfs/dbraw/zinc/81/81/33/1068818133.db2.gz IVKPEWIFHDPMPU-AWEZNQCLSA-N 1 0 413.500 -0.665 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000583665127 1068818394 /nfs/dbraw/zinc/81/83/94/1068818394.db2.gz IVKPEWIFHDPMPU-CQSZACIVSA-N 1 0 413.500 -0.665 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H](CO)O1 ZINC000583707557 1068820095 /nfs/dbraw/zinc/82/00/95/1068820095.db2.gz HBZXZFHYNFCUPP-BHIYHBOVSA-N 1 0 404.511 -0.301 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@@H](CO)O1 ZINC000583707558 1068820163 /nfs/dbraw/zinc/82/01/63/1068820163.db2.gz HBZXZFHYNFCUPP-NEWSRXKRSA-N 1 0 404.511 -0.301 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@@H](CO)O1 ZINC000583707559 1068820071 /nfs/dbraw/zinc/82/00/71/1068820071.db2.gz HBZXZFHYNFCUPP-NZSAHSFTSA-N 1 0 404.511 -0.301 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H](CO)O1 ZINC000583707560 1068820147 /nfs/dbraw/zinc/82/01/47/1068820147.db2.gz HBZXZFHYNFCUPP-QRQLOZEOSA-N 1 0 404.511 -0.301 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000583710485 1068819998 /nfs/dbraw/zinc/81/99/98/1068819998.db2.gz BNMZICYFJXMCCC-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO COCCn1cc(CNC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cn1 ZINC000583716944 1068820608 /nfs/dbraw/zinc/82/06/08/1068820608.db2.gz WMQQGBNMJPVJAJ-UHFFFAOYSA-N 1 0 402.455 -0.102 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)o1 ZINC000583735126 1068822955 /nfs/dbraw/zinc/82/29/55/1068822955.db2.gz XVFMDFJXZJLENC-HNNXBMFYSA-N 1 0 418.475 -0.074 20 0 HBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)o1 ZINC000583735127 1068822753 /nfs/dbraw/zinc/82/27/53/1068822753.db2.gz XVFMDFJXZJLENC-OAHLLOKOSA-N 1 0 418.475 -0.074 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000583743333 1068822650 /nfs/dbraw/zinc/82/26/50/1068822650.db2.gz HJYDSMZPXAGKEP-INIZCTEOSA-N 1 0 403.527 -0.166 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000583743334 1068822828 /nfs/dbraw/zinc/82/28/28/1068822828.db2.gz HJYDSMZPXAGKEP-MRXNPFEDSA-N 1 0 403.527 -0.166 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000583760303 1068824206 /nfs/dbraw/zinc/82/42/06/1068824206.db2.gz MGRIOFKCHLLPPG-MSOLQXFVSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000583760304 1068824174 /nfs/dbraw/zinc/82/41/74/1068824174.db2.gz MGRIOFKCHLLPPG-QZTJIDSGSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000583760305 1068824503 /nfs/dbraw/zinc/82/45/03/1068824503.db2.gz MGRIOFKCHLLPPG-ROUUACIJSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000583760306 1068824342 /nfs/dbraw/zinc/82/43/42/1068824342.db2.gz MGRIOFKCHLLPPG-ZWKOTPCHSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000583767868 1068824401 /nfs/dbraw/zinc/82/44/01/1068824401.db2.gz XWSLOEJRBNUBCC-KRWDZBQOSA-N 1 0 403.531 -0.295 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000583767869 1068825076 /nfs/dbraw/zinc/82/50/76/1068825076.db2.gz XWSLOEJRBNUBCC-QGZVFWFLSA-N 1 0 403.531 -0.295 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCCO1 ZINC000583774488 1068824995 /nfs/dbraw/zinc/82/49/95/1068824995.db2.gz SQIYGYJNUPDLAC-HNNXBMFYSA-N 1 0 406.487 -0.788 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCCO1 ZINC000583774489 1068825167 /nfs/dbraw/zinc/82/51/67/1068825167.db2.gz SQIYGYJNUPDLAC-OAHLLOKOSA-N 1 0 406.487 -0.788 20 0 HBADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000583780319 1068826182 /nfs/dbraw/zinc/82/61/82/1068826182.db2.gz JJXGDMZVCPXQAF-AEFFLSMTSA-N 1 0 402.499 -0.057 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC000583800699 1068827609 /nfs/dbraw/zinc/82/76/09/1068827609.db2.gz ASSAJXMIPUZOOC-HNNXBMFYSA-N 1 0 417.470 -0.030 20 0 HBADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC000583800700 1068827526 /nfs/dbraw/zinc/82/75/26/1068827526.db2.gz ASSAJXMIPUZOOC-OAHLLOKOSA-N 1 0 417.470 -0.030 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000583802810 1068827446 /nfs/dbraw/zinc/82/74/46/1068827446.db2.gz NZOYUPHIOPRUTQ-UHFFFAOYSA-N 1 0 416.526 -0.586 20 0 HBADRO Cc1cc(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000583823883 1068828035 /nfs/dbraw/zinc/82/80/35/1068828035.db2.gz LADTWWDKKNZBDE-BFYDXBDKSA-N 1 0 408.524 -0.109 20 0 HBADRO Cc1cc(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000583823884 1068827881 /nfs/dbraw/zinc/82/78/81/1068827881.db2.gz LADTWWDKKNZBDE-HLLBOEOZSA-N 1 0 408.524 -0.109 20 0 HBADRO Cc1cc(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000583823885 1068828246 /nfs/dbraw/zinc/82/82/46/1068828246.db2.gz LADTWWDKKNZBDE-YQQAZPJKSA-N 1 0 408.524 -0.109 20 0 HBADRO Cc1cc(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000583823886 1068828378 /nfs/dbraw/zinc/82/83/78/1068828378.db2.gz LADTWWDKKNZBDE-ZMSDIMECSA-N 1 0 408.524 -0.109 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000583830452 1068828312 /nfs/dbraw/zinc/82/83/12/1068828312.db2.gz ARETZGXDYVJLOT-HNNXBMFYSA-N 1 0 412.556 -0.172 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000583830453 1068828106 /nfs/dbraw/zinc/82/81/06/1068828106.db2.gz ARETZGXDYVJLOT-OAHLLOKOSA-N 1 0 412.556 -0.172 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000583833083 1068828705 /nfs/dbraw/zinc/82/87/05/1068828705.db2.gz ZUWAAQKZVGUEBI-KRWDZBQOSA-N 1 0 411.547 -0.774 20 0 HBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000583833084 1068828739 /nfs/dbraw/zinc/82/87/39/1068828739.db2.gz ZUWAAQKZVGUEBI-QGZVFWFLSA-N 1 0 411.547 -0.774 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000583900572 1068832691 /nfs/dbraw/zinc/83/26/91/1068832691.db2.gz KCILQHGYODTEDB-HHHXNRCGSA-N 1 0 400.545 -0.584 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000583900573 1068832920 /nfs/dbraw/zinc/83/29/20/1068832920.db2.gz KCILQHGYODTEDB-MHZLTWQESA-N 1 0 400.545 -0.584 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000583948605 1068834655 /nfs/dbraw/zinc/83/46/55/1068834655.db2.gz RJTHZHHDBBBBNS-UHFFFAOYSA-N 1 0 423.539 -0.344 20 0 HBADRO C[N@H+](CCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCCCC1 ZINC000583948849 1068834564 /nfs/dbraw/zinc/83/45/64/1068834564.db2.gz CIUVIOBXAKSPNC-UHFFFAOYSA-N 1 0 420.518 -0.885 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC000583951275 1068834994 /nfs/dbraw/zinc/83/49/94/1068834994.db2.gz TZEAPVXEIAQHLE-UHFFFAOYSA-N 1 0 400.501 -0.072 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000583962996 1068835935 /nfs/dbraw/zinc/83/59/35/1068835935.db2.gz OWSXFBDMUNLLGB-KRWDZBQOSA-N 1 0 423.558 -0.774 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000583962997 1068836107 /nfs/dbraw/zinc/83/61/07/1068836107.db2.gz OWSXFBDMUNLLGB-QGZVFWFLSA-N 1 0 423.558 -0.774 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CCOC)CC3)cn2)CC1 ZINC000584008378 1068839927 /nfs/dbraw/zinc/83/99/27/1068839927.db2.gz OMOZPJHJEKXCHZ-UHFFFAOYSA-N 1 0 418.542 -0.370 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1=O ZINC000584009995 1068840290 /nfs/dbraw/zinc/84/02/90/1068840290.db2.gz WNRDSKYGUDOJKF-INIZCTEOSA-N 1 0 412.512 -0.033 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1=O ZINC000584009996 1068840421 /nfs/dbraw/zinc/84/04/21/1068840421.db2.gz WNRDSKYGUDOJKF-MRXNPFEDSA-N 1 0 412.512 -0.033 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000584026357 1068842327 /nfs/dbraw/zinc/84/23/27/1068842327.db2.gz HDMXYTFXKGCSGI-KRWDZBQOSA-N 1 0 418.608 -0.216 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000584026358 1068842697 /nfs/dbraw/zinc/84/26/97/1068842697.db2.gz HDMXYTFXKGCSGI-QGZVFWFLSA-N 1 0 418.608 -0.216 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000584045078 1068843366 /nfs/dbraw/zinc/84/33/66/1068843366.db2.gz QPNXTGITXIEQCK-KBPBESRZSA-N 1 0 400.487 -0.389 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000584045079 1068843078 /nfs/dbraw/zinc/84/30/78/1068843078.db2.gz QPNXTGITXIEQCK-KGLIPLIRSA-N 1 0 400.487 -0.389 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000584045080 1068842975 /nfs/dbraw/zinc/84/29/75/1068842975.db2.gz QPNXTGITXIEQCK-UONOGXRCSA-N 1 0 400.487 -0.389 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000584045081 1068843187 /nfs/dbraw/zinc/84/31/87/1068843187.db2.gz QPNXTGITXIEQCK-ZIAGYGMSSA-N 1 0 400.487 -0.389 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)COC)CC2)[C@@H](C)C1 ZINC000584071619 1068844284 /nfs/dbraw/zinc/84/42/84/1068844284.db2.gz NRVLPCGVLQCNOR-DLBZAZTESA-N 1 0 412.531 -0.443 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)COC)CC2)[C@H](C)C1 ZINC000584071620 1068844549 /nfs/dbraw/zinc/84/45/49/1068844549.db2.gz NRVLPCGVLQCNOR-IAGOWNOFSA-N 1 0 412.531 -0.443 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)COC)CC2)[C@@H](C)C1 ZINC000584071621 1068844343 /nfs/dbraw/zinc/84/43/43/1068844343.db2.gz NRVLPCGVLQCNOR-IRXDYDNUSA-N 1 0 412.531 -0.443 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)COC)CC2)[C@H](C)C1 ZINC000584071622 1068844232 /nfs/dbraw/zinc/84/42/32/1068844232.db2.gz NRVLPCGVLQCNOR-SJORKVTESA-N 1 0 412.531 -0.443 20 0 HBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000584105399 1068846385 /nfs/dbraw/zinc/84/63/85/1068846385.db2.gz WMRDBKXAIVHGES-UHFFFAOYSA-N 1 0 402.499 -0.470 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1OC ZINC000584129063 1068846235 /nfs/dbraw/zinc/84/62/35/1068846235.db2.gz CYWNPNNACWKCEC-KBPBESRZSA-N 1 0 401.485 -0.495 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000584130025 1068846591 /nfs/dbraw/zinc/84/65/91/1068846591.db2.gz DOPLOEZDJXTYIG-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000584130026 1068847214 /nfs/dbraw/zinc/84/72/14/1068847214.db2.gz DOPLOEZDJXTYIG-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000584137331 1068847421 /nfs/dbraw/zinc/84/74/21/1068847421.db2.gz LNZSTHHETDXEBK-NRFANRHFSA-N 1 0 423.558 -0.286 20 0 HBADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000584137332 1068847320 /nfs/dbraw/zinc/84/73/20/1068847320.db2.gz LNZSTHHETDXEBK-OAQYLSRUSA-N 1 0 423.558 -0.286 20 0 HBADRO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C ZINC000584192008 1068848830 /nfs/dbraw/zinc/84/88/30/1068848830.db2.gz KIQHIJGEGPLYBA-UHFFFAOYSA-N 1 0 409.531 -0.439 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000584246506 1068850403 /nfs/dbraw/zinc/85/04/03/1068850403.db2.gz TVAFCFUYMIPFPH-UHFFFAOYSA-N 1 0 407.559 -0.009 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000584304343 1068853885 /nfs/dbraw/zinc/85/38/85/1068853885.db2.gz QSFAZIZXEKBJLM-UHFFFAOYSA-N 1 0 416.525 -0.819 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000584316784 1068854092 /nfs/dbraw/zinc/85/40/92/1068854092.db2.gz IBOSFNOKAGOREP-KBPBESRZSA-N 1 0 400.483 -0.430 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000584316785 1068854440 /nfs/dbraw/zinc/85/44/40/1068854440.db2.gz IBOSFNOKAGOREP-KGLIPLIRSA-N 1 0 400.483 -0.430 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000584316786 1068854584 /nfs/dbraw/zinc/85/45/84/1068854584.db2.gz IBOSFNOKAGOREP-UONOGXRCSA-N 1 0 400.483 -0.430 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000584316787 1068854313 /nfs/dbraw/zinc/85/43/13/1068854313.db2.gz IBOSFNOKAGOREP-ZIAGYGMSSA-N 1 0 400.483 -0.430 20 0 HBADRO Cc1cnn([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)c1 ZINC000584322257 1068854956 /nfs/dbraw/zinc/85/49/56/1068854956.db2.gz IYRRZCOPUABARN-INIZCTEOSA-N 1 0 416.486 -0.522 20 0 HBADRO Cc1cnn([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)c1 ZINC000584322258 1068855096 /nfs/dbraw/zinc/85/50/96/1068855096.db2.gz IYRRZCOPUABARN-MRXNPFEDSA-N 1 0 416.486 -0.522 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000584323131 1068854988 /nfs/dbraw/zinc/85/49/88/1068854988.db2.gz ZCUFVTFUIGVHHS-AWEZNQCLSA-N 1 0 406.302 -0.090 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000584323132 1068855055 /nfs/dbraw/zinc/85/50/55/1068855055.db2.gz ZCUFVTFUIGVHHS-CQSZACIVSA-N 1 0 406.302 -0.090 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584342567 1068855650 /nfs/dbraw/zinc/85/56/50/1068855650.db2.gz SKQSKMBQSHDUEU-FOIQADDNSA-N 1 0 407.515 -0.826 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584342568 1068855490 /nfs/dbraw/zinc/85/54/90/1068855490.db2.gz SKQSKMBQSHDUEU-MGPUTAFESA-N 1 0 407.515 -0.826 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000584342569 1068855704 /nfs/dbraw/zinc/85/57/04/1068855704.db2.gz SKQSKMBQSHDUEU-QRWLVFNGSA-N 1 0 407.515 -0.826 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000584342570 1068855767 /nfs/dbraw/zinc/85/57/67/1068855767.db2.gz SKQSKMBQSHDUEU-YWZLYKJASA-N 1 0 407.515 -0.826 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000584363949 1068857208 /nfs/dbraw/zinc/85/72/08/1068857208.db2.gz GQJURKOPRIMETL-UHFFFAOYSA-N 1 0 423.558 -0.585 20 0 HBADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000584366902 1068857138 /nfs/dbraw/zinc/85/71/38/1068857138.db2.gz STULBRAUKFINRN-UHFFFAOYSA-N 1 0 413.482 -0.191 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000584368575 1068857474 /nfs/dbraw/zinc/85/74/74/1068857474.db2.gz XRUFSPJGSSGLTL-HNNXBMFYSA-N 1 0 418.560 -0.468 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000584368576 1068857581 /nfs/dbraw/zinc/85/75/81/1068857581.db2.gz XRUFSPJGSSGLTL-OAHLLOKOSA-N 1 0 418.560 -0.468 20 0 HBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000584369089 1068856983 /nfs/dbraw/zinc/85/69/83/1068856983.db2.gz XCDUPMYTJFSZQZ-CVEARBPZSA-N 1 0 410.540 -0.365 20 0 HBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000584369090 1068857025 /nfs/dbraw/zinc/85/70/25/1068857025.db2.gz XCDUPMYTJFSZQZ-HOTGVXAUSA-N 1 0 410.540 -0.365 20 0 HBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000584369091 1068856769 /nfs/dbraw/zinc/85/67/69/1068856769.db2.gz XCDUPMYTJFSZQZ-HZPDHXFCSA-N 1 0 410.540 -0.365 20 0 HBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000584369092 1068856845 /nfs/dbraw/zinc/85/68/45/1068856845.db2.gz XCDUPMYTJFSZQZ-JKSUJKDBSA-N 1 0 410.540 -0.365 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000584373222 1068858124 /nfs/dbraw/zinc/85/81/24/1068858124.db2.gz DKUQCDOFIVMRBA-FGTMMUONSA-N 1 0 410.515 -0.766 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000584373223 1068858023 /nfs/dbraw/zinc/85/80/23/1068858023.db2.gz DKUQCDOFIVMRBA-KURKYZTESA-N 1 0 410.515 -0.766 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000584373224 1068857991 /nfs/dbraw/zinc/85/79/91/1068857991.db2.gz DKUQCDOFIVMRBA-KZNAEPCWSA-N 1 0 410.515 -0.766 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000584373225 1068858136 /nfs/dbraw/zinc/85/81/36/1068858136.db2.gz DKUQCDOFIVMRBA-SQNIBIBYSA-N 1 0 410.515 -0.766 20 0 HBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000584375935 1068858113 /nfs/dbraw/zinc/85/81/13/1068858113.db2.gz PIPHBSNZADOXKD-DLBZAZTESA-N 1 0 407.559 -0.107 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000584375936 1068858180 /nfs/dbraw/zinc/85/81/80/1068858180.db2.gz PIPHBSNZADOXKD-IAGOWNOFSA-N 1 0 407.559 -0.107 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000584375937 1068858074 /nfs/dbraw/zinc/85/80/74/1068858074.db2.gz PIPHBSNZADOXKD-IRXDYDNUSA-N 1 0 407.559 -0.107 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000584375938 1068858161 /nfs/dbraw/zinc/85/81/61/1068858161.db2.gz PIPHBSNZADOXKD-SJORKVTESA-N 1 0 407.559 -0.107 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCn3cc(CO)nn3)c2)CC1 ZINC000584381698 1068858764 /nfs/dbraw/zinc/85/87/64/1068858764.db2.gz KTCJYAUQMJOJFR-UHFFFAOYSA-N 1 0 415.498 -0.337 20 0 HBADRO COC(=O)c1cn([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nn1 ZINC000584381843 1068858033 /nfs/dbraw/zinc/85/80/33/1068858033.db2.gz PSDDXUYXJNUJSD-CYBMUJFWSA-N 1 0 422.467 -0.012 20 0 HBADRO COC(=O)c1cn([C@H]2CC[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nn1 ZINC000584381844 1068857889 /nfs/dbraw/zinc/85/78/89/1068857889.db2.gz PSDDXUYXJNUJSD-ZDUSSCGKSA-N 1 0 422.467 -0.012 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000584401055 1068858629 /nfs/dbraw/zinc/85/86/29/1068858629.db2.gz AJSGODCMUPWQRW-UHFFFAOYSA-N 1 0 406.483 -0.440 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCOCC1 ZINC000584402576 1068859119 /nfs/dbraw/zinc/85/91/19/1068859119.db2.gz CTJSXQNXMKTNNM-BZSNNMDCSA-N 1 0 424.542 -0.376 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCOCC1 ZINC000584402577 1068859057 /nfs/dbraw/zinc/85/90/57/1068859057.db2.gz CTJSXQNXMKTNNM-KSZLIROESA-N 1 0 424.542 -0.376 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCOCC1 ZINC000584402578 1068859363 /nfs/dbraw/zinc/85/93/63/1068859363.db2.gz CTJSXQNXMKTNNM-OKZBNKHCSA-N 1 0 424.542 -0.376 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCOCC1 ZINC000584402579 1068859115 /nfs/dbraw/zinc/85/91/15/1068859115.db2.gz CTJSXQNXMKTNNM-RCCFBDPRSA-N 1 0 424.542 -0.376 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000584426556 1068860781 /nfs/dbraw/zinc/86/07/81/1068860781.db2.gz FQUYIWMSIBDOLN-ILXRZTDVSA-N 1 0 400.501 -0.175 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000584426557 1068861209 /nfs/dbraw/zinc/86/12/09/1068861209.db2.gz FQUYIWMSIBDOLN-KKUMJFAQSA-N 1 0 400.501 -0.175 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnc3ccc(C)cn3c2=O)CC1=O ZINC000584426630 1068861124 /nfs/dbraw/zinc/86/11/24/1068861124.db2.gz JGDKUNLTRVGFCO-HNNXBMFYSA-N 1 0 401.467 -0.088 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnc3ccc(C)cn3c2=O)CC1=O ZINC000584426631 1068860914 /nfs/dbraw/zinc/86/09/14/1068860914.db2.gz JGDKUNLTRVGFCO-OAHLLOKOSA-N 1 0 401.467 -0.088 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000584435155 1068862403 /nfs/dbraw/zinc/86/24/03/1068862403.db2.gz URUAZGAYTYMZPM-CVEARBPZSA-N 1 0 402.561 -0.636 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000584435156 1068862310 /nfs/dbraw/zinc/86/23/10/1068862310.db2.gz URUAZGAYTYMZPM-HOTGVXAUSA-N 1 0 402.561 -0.636 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000584435157 1068862222 /nfs/dbraw/zinc/86/22/22/1068862222.db2.gz URUAZGAYTYMZPM-HZPDHXFCSA-N 1 0 402.561 -0.636 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000584435158 1069184694 /nfs/dbraw/zinc/18/46/94/1069184694.db2.gz URUAZGAYTYMZPM-JKSUJKDBSA-N 1 0 402.561 -0.636 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccccc1 ZINC000584458392 1069670702 /nfs/dbraw/zinc/67/07/02/1069670702.db2.gz NQZVSKAEFVBISJ-HNNXBMFYSA-N 1 0 417.539 0.058 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccccc1 ZINC000584458393 1069670858 /nfs/dbraw/zinc/67/08/58/1069670858.db2.gz NQZVSKAEFVBISJ-OAHLLOKOSA-N 1 0 417.539 0.058 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000584461349 1068929930 /nfs/dbraw/zinc/92/99/30/1068929930.db2.gz RJUWGEYFSFHGNO-HNNXBMFYSA-N 1 0 406.483 -0.047 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000584461350 1068929872 /nfs/dbraw/zinc/92/98/72/1068929872.db2.gz RJUWGEYFSFHGNO-OAHLLOKOSA-N 1 0 406.483 -0.047 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000584474149 1068938104 /nfs/dbraw/zinc/93/81/04/1068938104.db2.gz FQEYUGMBFPUSOK-MRXNPFEDSA-N 1 0 410.544 -0.166 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000584481074 1068944150 /nfs/dbraw/zinc/94/41/50/1068944150.db2.gz ZNWPBEOQIIXSSY-GDBMZVCRSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000584481075 1068943918 /nfs/dbraw/zinc/94/39/18/1068943918.db2.gz ZNWPBEOQIIXSSY-GOEBONIOSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000584481076 1068943690 /nfs/dbraw/zinc/94/36/90/1068943690.db2.gz ZNWPBEOQIIXSSY-HOCLYGCPSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000584481077 1068944070 /nfs/dbraw/zinc/94/40/70/1068944070.db2.gz ZNWPBEOQIIXSSY-ZBFHGGJFSA-N 1 0 408.480 -0.909 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000584483678 1068946851 /nfs/dbraw/zinc/94/68/51/1068946851.db2.gz YRSAGJDLOQALBE-FQEVSTJZSA-N 1 0 415.538 -0.537 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000584483679 1068946491 /nfs/dbraw/zinc/94/64/91/1068946491.db2.gz YRSAGJDLOQALBE-HXUWFJFHSA-N 1 0 415.538 -0.537 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000584483723 1068946820 /nfs/dbraw/zinc/94/68/20/1068946820.db2.gz AQYAVAFMKUBSPL-KRWDZBQOSA-N 1 0 403.531 -0.296 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000584483724 1068946790 /nfs/dbraw/zinc/94/67/90/1068946790.db2.gz AQYAVAFMKUBSPL-QGZVFWFLSA-N 1 0 403.531 -0.296 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000584483970 1068945955 /nfs/dbraw/zinc/94/59/55/1068945955.db2.gz KTMHVPXYOUJXBY-LLVKDONJSA-N 1 0 404.393 -0.140 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000584483971 1068946036 /nfs/dbraw/zinc/94/60/36/1068946036.db2.gz KTMHVPXYOUJXBY-NSHDSACASA-N 1 0 404.393 -0.140 20 0 HBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000584497957 1068960298 /nfs/dbraw/zinc/96/02/98/1068960298.db2.gz SJFALMUDTPTBFY-GOSISDBHSA-N 1 0 407.559 -0.406 20 0 HBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000584497958 1068960175 /nfs/dbraw/zinc/96/01/75/1068960175.db2.gz SJFALMUDTPTBFY-SFHVURJKSA-N 1 0 407.559 -0.406 20 0 HBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584544101 1069064214 /nfs/dbraw/zinc/06/42/14/1069064214.db2.gz NFJFLMZJXAIMIJ-UHFFFAOYSA-N 1 0 415.542 -0.152 20 0 HBADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000584549311 1069067442 /nfs/dbraw/zinc/06/74/42/1069067442.db2.gz UAUKMAOBNSYXCC-KBXCAEBGSA-N 1 0 418.542 -0.151 20 0 HBADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000584549312 1069067405 /nfs/dbraw/zinc/06/74/05/1069067405.db2.gz UAUKMAOBNSYXCC-KDOFPFPSSA-N 1 0 418.542 -0.151 20 0 HBADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000584549313 1069067340 /nfs/dbraw/zinc/06/73/40/1069067340.db2.gz UAUKMAOBNSYXCC-KSSFIOAISA-N 1 0 418.542 -0.151 20 0 HBADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000584549314 1069067348 /nfs/dbraw/zinc/06/73/48/1069067348.db2.gz UAUKMAOBNSYXCC-RDTXWAMCSA-N 1 0 418.542 -0.151 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1=O ZINC000584551764 1069067365 /nfs/dbraw/zinc/06/73/65/1069067365.db2.gz WTQRXOSMXIGCJZ-HNNXBMFYSA-N 1 0 417.470 -0.420 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1=O ZINC000584551765 1069067426 /nfs/dbraw/zinc/06/74/26/1069067426.db2.gz WTQRXOSMXIGCJZ-OAHLLOKOSA-N 1 0 417.470 -0.420 20 0 HBADRO O=C(CN1CCCC2(CCC[N@H+](CC(=O)N3CCNC3=O)C2)C1)N1CCNC1=O ZINC000584558224 1069069113 /nfs/dbraw/zinc/06/91/13/1069069113.db2.gz GFRHUPMFKNIXIC-UHFFFAOYSA-N 1 0 406.487 -0.732 20 0 HBADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000584560548 1069071550 /nfs/dbraw/zinc/07/15/50/1069071550.db2.gz RCHILXQAJKRLMG-OAHLLOKOSA-N 1 0 408.503 -0.083 20 0 HBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000584666158 1069095526 /nfs/dbraw/zinc/09/55/26/1069095526.db2.gz MDPAWEXKVQHJIO-GWCFXTLKSA-N 1 0 400.888 -0.074 20 0 HBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000584666159 1069095270 /nfs/dbraw/zinc/09/52/70/1069095270.db2.gz MDPAWEXKVQHJIO-GXFFZTMASA-N 1 0 400.888 -0.074 20 0 HBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000584666160 1069095545 /nfs/dbraw/zinc/09/55/45/1069095545.db2.gz MDPAWEXKVQHJIO-MFKMUULPSA-N 1 0 400.888 -0.074 20 0 HBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000584666161 1069095315 /nfs/dbraw/zinc/09/53/15/1069095315.db2.gz MDPAWEXKVQHJIO-ZWNOBZJWSA-N 1 0 400.888 -0.074 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000584671283 1069096584 /nfs/dbraw/zinc/09/65/84/1069096584.db2.gz OAOBFKMODUOVRD-INIZCTEOSA-N 1 0 402.499 -0.566 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000584671284 1069096693 /nfs/dbraw/zinc/09/66/93/1069096693.db2.gz OAOBFKMODUOVRD-MRXNPFEDSA-N 1 0 402.499 -0.566 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccnc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000584673278 1069097255 /nfs/dbraw/zinc/09/72/55/1069097255.db2.gz YQGRIJWQAUHQBH-UHFFFAOYSA-N 1 0 411.528 -0.142 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000584684803 1069626768 /nfs/dbraw/zinc/62/67/68/1069626768.db2.gz WURUIFXXDXLBTJ-UHFFFAOYSA-N 1 0 421.498 0.496 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000584733472 1069101469 /nfs/dbraw/zinc/10/14/69/1069101469.db2.gz FEYLWOPKCISPML-UHFFFAOYSA-N 1 0 409.575 -0.158 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000584734554 1069101570 /nfs/dbraw/zinc/10/15/70/1069101570.db2.gz AQNFKNPEIFDRHT-CVEARBPZSA-N 1 0 414.514 -0.161 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000584734555 1069101768 /nfs/dbraw/zinc/10/17/68/1069101768.db2.gz AQNFKNPEIFDRHT-HOTGVXAUSA-N 1 0 414.514 -0.161 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000584734556 1069101703 /nfs/dbraw/zinc/10/17/03/1069101703.db2.gz AQNFKNPEIFDRHT-HZPDHXFCSA-N 1 0 414.514 -0.161 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1nnnn1-c1ccccc1 ZINC000584734557 1069101411 /nfs/dbraw/zinc/10/14/11/1069101411.db2.gz AQNFKNPEIFDRHT-JKSUJKDBSA-N 1 0 414.514 -0.161 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000584738101 1069100724 /nfs/dbraw/zinc/10/07/24/1069100724.db2.gz VSJSZWRIUHXGII-UHFFFAOYSA-N 1 0 420.510 -0.050 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000584738498 1069102212 /nfs/dbraw/zinc/10/22/12/1069102212.db2.gz LKAISUQCBHILPR-PMACEKPBSA-N 1 0 417.554 -0.592 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000584738499 1069102174 /nfs/dbraw/zinc/10/21/74/1069102174.db2.gz LKAISUQCBHILPR-UXHICEINSA-N 1 0 417.554 -0.592 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000584738500 1069102103 /nfs/dbraw/zinc/10/21/03/1069102103.db2.gz LKAISUQCBHILPR-VQTJNVASSA-N 1 0 417.554 -0.592 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000584738501 1069102333 /nfs/dbraw/zinc/10/23/33/1069102333.db2.gz LKAISUQCBHILPR-WOJBJXKFSA-N 1 0 417.554 -0.592 20 0 HBADRO NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000584757943 1069103144 /nfs/dbraw/zinc/10/31/44/1069103144.db2.gz XWHKUHPRHLPVFT-UHFFFAOYSA-N 1 0 418.541 -0.396 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC000584771764 1069103844 /nfs/dbraw/zinc/10/38/44/1069103844.db2.gz CXHJQKASMFXEOO-INIZCTEOSA-N 1 0 414.510 -0.038 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC000584771765 1069103733 /nfs/dbraw/zinc/10/37/33/1069103733.db2.gz CXHJQKASMFXEOO-MRXNPFEDSA-N 1 0 414.510 -0.038 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000584810875 1069107116 /nfs/dbraw/zinc/10/71/16/1069107116.db2.gz XOIOBHXRQPEBRH-UHFFFAOYSA-N 1 0 403.427 -0.421 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000584829953 1069107691 /nfs/dbraw/zinc/10/76/91/1069107691.db2.gz DREOBKQGPVHTIV-UHFFFAOYSA-N 1 0 407.515 -0.195 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000584856850 1069109005 /nfs/dbraw/zinc/10/90/05/1069109005.db2.gz OZYDVTVCOZNQMS-INIZCTEOSA-N 1 0 416.526 -0.130 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000584856851 1069109106 /nfs/dbraw/zinc/10/91/06/1069109106.db2.gz OZYDVTVCOZNQMS-MRXNPFEDSA-N 1 0 416.526 -0.130 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NC)C3)nc(C)[nH+]2)C1 ZINC000584878148 1069110418 /nfs/dbraw/zinc/11/04/18/1069110418.db2.gz OQDVMACMMQZSAC-BETUJISGSA-N 1 0 418.545 -0.959 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@@H](S(=O)(=O)NC)C3)[nH+]c(C)n2)C1 ZINC000584878150 1069110253 /nfs/dbraw/zinc/11/02/53/1069110253.db2.gz OQDVMACMMQZSAC-CHWSQXEVSA-N 1 0 418.545 -0.959 20 0 HBADRO CNS(=O)(=O)[C@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NC)C3)[nH+]c(C)n2)C1 ZINC000584878155 1069110292 /nfs/dbraw/zinc/11/02/92/1069110292.db2.gz OQDVMACMMQZSAC-STQMWFEESA-N 1 0 418.545 -0.959 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585709722 1069264556 /nfs/dbraw/zinc/26/45/56/1069264556.db2.gz FAOCWLDXTMECGF-INIZCTEOSA-N 1 0 412.531 -0.302 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585709725 1069264720 /nfs/dbraw/zinc/26/47/20/1069264720.db2.gz FAOCWLDXTMECGF-MRXNPFEDSA-N 1 0 412.531 -0.302 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000585709862 1069264593 /nfs/dbraw/zinc/26/45/93/1069264593.db2.gz QWIJWMOECUZOKI-INIZCTEOSA-N 1 0 411.547 -0.776 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1 ZINC000585709865 1069264667 /nfs/dbraw/zinc/26/46/67/1069264667.db2.gz QWIJWMOECUZOKI-MRXNPFEDSA-N 1 0 411.547 -0.776 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585721336 1069265432 /nfs/dbraw/zinc/26/54/32/1069265432.db2.gz ZPQODRVQDZNYIL-INIZCTEOSA-N 1 0 412.531 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000585723063 1069265369 /nfs/dbraw/zinc/26/53/69/1069265369.db2.gz VUJXNOWRGCAXIC-KBXCAEBGSA-N 1 0 400.545 -0.364 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000585723065 1069265130 /nfs/dbraw/zinc/26/51/30/1069265130.db2.gz VUJXNOWRGCAXIC-KDOFPFPSSA-N 1 0 400.545 -0.364 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000585723068 1069265985 /nfs/dbraw/zinc/26/59/85/1069265985.db2.gz VUJXNOWRGCAXIC-KSSFIOAISA-N 1 0 400.545 -0.364 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000585723069 1069265855 /nfs/dbraw/zinc/26/58/55/1069265855.db2.gz VUJXNOWRGCAXIC-RDTXWAMCSA-N 1 0 400.545 -0.364 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000585725093 1069265921 /nfs/dbraw/zinc/26/59/21/1069265921.db2.gz HDHWRDXYFCWADZ-BBWFWOEESA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000585725096 1069266019 /nfs/dbraw/zinc/26/60/19/1069266019.db2.gz HDHWRDXYFCWADZ-IKGGRYGDSA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000585725097 1069265827 /nfs/dbraw/zinc/26/58/27/1069265827.db2.gz HDHWRDXYFCWADZ-ULQDDVLXSA-N 1 0 423.539 -0.056 20 0 HBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000585725098 1069266069 /nfs/dbraw/zinc/26/60/69/1069266069.db2.gz HDHWRDXYFCWADZ-ZACQAIPSSA-N 1 0 423.539 -0.056 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000585736848 1069266573 /nfs/dbraw/zinc/26/65/73/1069266573.db2.gz QSQWQMIRRGJFAO-CVEARBPZSA-N 1 0 412.531 -0.445 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000585736849 1069266346 /nfs/dbraw/zinc/26/63/46/1069266346.db2.gz QSQWQMIRRGJFAO-HOTGVXAUSA-N 1 0 412.531 -0.445 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000585736850 1069266314 /nfs/dbraw/zinc/26/63/14/1069266314.db2.gz QSQWQMIRRGJFAO-HZPDHXFCSA-N 1 0 412.531 -0.445 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000585736851 1069266637 /nfs/dbraw/zinc/26/66/37/1069266637.db2.gz QSQWQMIRRGJFAO-JKSUJKDBSA-N 1 0 412.531 -0.445 20 0 HBADRO CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000585772315 1069268941 /nfs/dbraw/zinc/26/89/41/1069268941.db2.gz HZAFMVLOQHYMPI-UHFFFAOYSA-N 1 0 422.526 -0.009 20 0 HBADRO CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000585773359 1069268291 /nfs/dbraw/zinc/26/82/91/1069268291.db2.gz OYZHMXPUBUZNPD-JCYILVPMSA-N 1 0 422.526 -0.011 20 0 HBADRO CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000585773365 1069268883 /nfs/dbraw/zinc/26/88/83/1069268883.db2.gz OYZHMXPUBUZNPD-OFLPRAFFSA-N 1 0 422.526 -0.011 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1C ZINC000586751117 1070705266 /nfs/dbraw/zinc/70/52/66/1070705266.db2.gz VJDAAQYEBAUIKQ-UHFFFAOYSA-N 1 0 422.511 -0.063 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000586818746 1070707182 /nfs/dbraw/zinc/70/71/82/1070707182.db2.gz XUNHEVDCXRUEGQ-HOTGVXAUSA-N 1 0 412.560 -0.062 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000586818747 1070707066 /nfs/dbraw/zinc/70/70/66/1070707066.db2.gz XUNHEVDCXRUEGQ-HZPDHXFCSA-N 1 0 412.560 -0.062 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000586818748 1070707346 /nfs/dbraw/zinc/70/73/46/1070707346.db2.gz XUNHEVDCXRUEGQ-IYBDPMFKSA-N 1 0 412.560 -0.062 20 0 HBADRO CCOC(=O)C1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000586849318 1070707084 /nfs/dbraw/zinc/70/70/84/1070707084.db2.gz HTBJMEKQYJEEIU-HWOWSKLDSA-N 1 0 410.515 -0.072 20 0 HBADRO CCOC(=O)C1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000586849319 1070707159 /nfs/dbraw/zinc/70/71/59/1070707159.db2.gz HTBJMEKQYJEEIU-PCKAHOCUSA-N 1 0 410.515 -0.072 20 0 HBADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000586851580 1070707257 /nfs/dbraw/zinc/70/72/57/1070707257.db2.gz PECYMDDOYUTVNI-UHFFFAOYSA-N 1 0 401.489 -0.265 20 0 HBADRO CCc1nnc2n1C[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000586867435 1068928908 /nfs/dbraw/zinc/92/89/08/1068928908.db2.gz ZIEFXYNUAFMUME-DLBZAZTESA-N 1 0 417.558 -0.102 20 0 HBADRO CCc1nnc2n1C[C@H](NC(=O)C(=O)N1CC[C@@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000586867436 1070708294 /nfs/dbraw/zinc/70/82/94/1070708294.db2.gz ZIEFXYNUAFMUME-IAGOWNOFSA-N 1 0 417.558 -0.102 20 0 HBADRO CCc1nnc2n1C[C@@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000586867437 1070708596 /nfs/dbraw/zinc/70/85/96/1070708596.db2.gz ZIEFXYNUAFMUME-IRXDYDNUSA-N 1 0 417.558 -0.102 20 0 HBADRO CCc1nnc2n1C[C@H](NC(=O)C(=O)N1CC[C@H](N3CC[NH+](C(C)C)CC3)C1)CC2 ZINC000586867438 1070708178 /nfs/dbraw/zinc/70/81/78/1070708178.db2.gz ZIEFXYNUAFMUME-SJORKVTESA-N 1 0 417.558 -0.102 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000587008739 1068929833 /nfs/dbraw/zinc/92/98/33/1068929833.db2.gz XPBSIKOZISRUSV-ARFHVFGLSA-N 1 0 418.560 -0.418 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000587008745 1070708377 /nfs/dbraw/zinc/70/83/77/1070708377.db2.gz XPBSIKOZISRUSV-BZUAXINKSA-N 1 0 418.560 -0.418 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000587008746 1070708569 /nfs/dbraw/zinc/70/85/69/1070708569.db2.gz XPBSIKOZISRUSV-HRCADAONSA-N 1 0 418.560 -0.418 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000587008748 1070708502 /nfs/dbraw/zinc/70/85/02/1070708502.db2.gz XPBSIKOZISRUSV-OWCLPIDISA-N 1 0 418.560 -0.418 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000587100169 1070709741 /nfs/dbraw/zinc/70/97/41/1070709741.db2.gz VAAKADUCRYTAIH-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000587100170 1070709767 /nfs/dbraw/zinc/70/97/67/1070709767.db2.gz VAAKADUCRYTAIH-GJZGRUSLSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000587100171 1070709552 /nfs/dbraw/zinc/70/95/52/1070709552.db2.gz VAAKADUCRYTAIH-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000587100172 1070709497 /nfs/dbraw/zinc/70/94/97/1070709497.db2.gz VAAKADUCRYTAIH-LSDHHAIUSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000587106596 1070709649 /nfs/dbraw/zinc/70/96/49/1070709649.db2.gz LRRHPGSRKLTZFE-HNNXBMFYSA-N 1 0 418.564 -0.937 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000587106605 1070709822 /nfs/dbraw/zinc/70/98/22/1070709822.db2.gz LRRHPGSRKLTZFE-OAHLLOKOSA-N 1 0 418.564 -0.937 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000588000032 1070727349 /nfs/dbraw/zinc/72/73/49/1070727349.db2.gz YKCHPTQUWVGSKU-CYBMUJFWSA-N 1 0 400.526 -0.033 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000588000033 1070727257 /nfs/dbraw/zinc/72/72/57/1070727257.db2.gz YKCHPTQUWVGSKU-ZDUSSCGKSA-N 1 0 400.526 -0.033 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000588036362 1070728406 /nfs/dbraw/zinc/72/84/06/1070728406.db2.gz ZQEDKWFUWXDYOZ-UHFFFAOYSA-N 1 0 411.528 -0.323 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000588216476 1070737899 /nfs/dbraw/zinc/73/78/99/1070737899.db2.gz LVXWXJFRKWGEOZ-UHFFFAOYSA-N 1 0 422.511 0.064 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000588216493 1069546012 /nfs/dbraw/zinc/54/60/12/1069546012.db2.gz NMIDNGJXKYGVLA-UHFFFAOYSA-N 1 0 423.495 0.523 20 0 HBADRO CC[NH+]1CCN(CCC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000588220560 1069018631 /nfs/dbraw/zinc/01/86/31/1069018631.db2.gz WDMZFOVTWBJYRJ-UHFFFAOYSA-N 1 0 403.531 -0.341 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000588236432 1070739312 /nfs/dbraw/zinc/73/93/12/1070739312.db2.gz SRFPDDCSKPPBBP-DLBZAZTESA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000588236433 1070739545 /nfs/dbraw/zinc/73/95/45/1070739545.db2.gz SRFPDDCSKPPBBP-IAGOWNOFSA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000588236434 1070739598 /nfs/dbraw/zinc/73/95/98/1070739598.db2.gz SRFPDDCSKPPBBP-IRXDYDNUSA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000588236435 1070739167 /nfs/dbraw/zinc/73/91/67/1070739167.db2.gz SRFPDDCSKPPBBP-SJORKVTESA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000588236455 1070739084 /nfs/dbraw/zinc/73/90/84/1070739084.db2.gz WYBDHDKNUYNSEP-INIZCTEOSA-N 1 0 423.558 -0.633 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000588236456 1070739227 /nfs/dbraw/zinc/73/92/27/1070739227.db2.gz WYBDHDKNUYNSEP-MRXNPFEDSA-N 1 0 423.558 -0.633 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000588236888 1070738618 /nfs/dbraw/zinc/73/86/18/1070738618.db2.gz WNVDSIPJINSNGB-DOTOQJQBSA-N 1 0 424.542 -0.160 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000588236889 1070739497 /nfs/dbraw/zinc/73/94/97/1070739497.db2.gz WNVDSIPJINSNGB-NVXWUHKLSA-N 1 0 424.542 -0.160 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000588236890 1070739389 /nfs/dbraw/zinc/73/93/89/1070739389.db2.gz WNVDSIPJINSNGB-RDJZCZTQSA-N 1 0 424.542 -0.160 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000588236891 1070739007 /nfs/dbraw/zinc/73/90/07/1070739007.db2.gz WNVDSIPJINSNGB-WBVHZDCISA-N 1 0 424.542 -0.160 20 0 HBADRO O=C(CCNC(=O)NCCCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000588278553 1070741075 /nfs/dbraw/zinc/74/10/75/1070741075.db2.gz JUZRXKHEBNDYNK-UHFFFAOYSA-N 1 0 419.530 -0.073 20 0 HBADRO CC[N@H+](CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C ZINC000588304274 1070742900 /nfs/dbraw/zinc/74/29/00/1070742900.db2.gz IRDFJDNKLWJNBS-UHFFFAOYSA-N 1 0 404.581 -0.464 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC000588314238 1070742965 /nfs/dbraw/zinc/74/29/65/1070742965.db2.gz JAEMKUKKHYTRHF-UHFFFAOYSA-N 1 0 416.486 -0.328 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)c1 ZINC000588328161 1070744178 /nfs/dbraw/zinc/74/41/78/1070744178.db2.gz HWRNMXARWOJTPI-UHFFFAOYSA-N 1 0 400.439 -0.098 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000588328355 1070743860 /nfs/dbraw/zinc/74/38/60/1070743860.db2.gz PPWNEPWLTCQXOJ-UHFFFAOYSA-N 1 0 400.439 -0.098 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000588345911 1070743303 /nfs/dbraw/zinc/74/33/03/1070743303.db2.gz YYXADFPYXMJNIY-HNNXBMFYSA-N 1 0 412.531 -0.302 20 0 HBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000588345912 1070743430 /nfs/dbraw/zinc/74/34/30/1070743430.db2.gz YYXADFPYXMJNIY-OAHLLOKOSA-N 1 0 412.531 -0.302 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cn1C ZINC000588641442 1070745680 /nfs/dbraw/zinc/74/56/80/1070745680.db2.gz MSSHAVQDEHXLSU-UHFFFAOYSA-N 1 0 407.500 -0.208 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000588684266 1070748218 /nfs/dbraw/zinc/74/82/18/1070748218.db2.gz XZOLHTUEEWYTKN-KBPBESRZSA-N 1 0 414.528 -0.406 20 0 HBADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000588684268 1070748080 /nfs/dbraw/zinc/74/80/80/1070748080.db2.gz XZOLHTUEEWYTKN-OKILXGFUSA-N 1 0 414.528 -0.406 20 0 HBADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000588684269 1070747912 /nfs/dbraw/zinc/74/79/12/1070747912.db2.gz XZOLHTUEEWYTKN-ZIAGYGMSSA-N 1 0 414.528 -0.406 20 0 HBADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O ZINC000588686572 1070747984 /nfs/dbraw/zinc/74/79/84/1070747984.db2.gz HBUSPEMVMDJSCK-DLBZAZTESA-N 1 0 404.467 -0.351 20 0 HBADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O ZINC000588686577 1068536280 /nfs/dbraw/zinc/53/62/80/1068536280.db2.gz HBUSPEMVMDJSCK-IAGOWNOFSA-N 1 0 404.467 -0.351 20 0 HBADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O ZINC000588686578 1068536376 /nfs/dbraw/zinc/53/63/76/1068536376.db2.gz HBUSPEMVMDJSCK-IRXDYDNUSA-N 1 0 404.467 -0.351 20 0 HBADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O ZINC000588686579 1070748185 /nfs/dbraw/zinc/74/81/85/1070748185.db2.gz HBUSPEMVMDJSCK-SJORKVTESA-N 1 0 404.467 -0.351 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000588699468 1070749046 /nfs/dbraw/zinc/74/90/46/1070749046.db2.gz HCDZRVWPHYXHSW-AEFFLSMTSA-N 1 0 421.542 -0.892 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000588699475 1070748892 /nfs/dbraw/zinc/74/88/92/1070748892.db2.gz HCDZRVWPHYXHSW-FUHWJXTLSA-N 1 0 421.542 -0.892 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000588699479 1070748721 /nfs/dbraw/zinc/74/87/21/1070748721.db2.gz HCDZRVWPHYXHSW-SJLPKXTDSA-N 1 0 421.542 -0.892 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000588699483 1070748570 /nfs/dbraw/zinc/74/85/70/1070748570.db2.gz HCDZRVWPHYXHSW-WMZOPIPTSA-N 1 0 421.542 -0.892 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000588699940 1070747873 /nfs/dbraw/zinc/74/78/73/1070747873.db2.gz BPRDDPLBWMWQAL-INIZCTEOSA-N 1 0 409.512 -0.309 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000588699946 1070748989 /nfs/dbraw/zinc/74/89/89/1070748989.db2.gz BPRDDPLBWMWQAL-MRXNPFEDSA-N 1 0 409.512 -0.309 20 0 HBADRO Cn1c2ncc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)cc2c(=O)n(C)c1=O ZINC000588702065 1070748960 /nfs/dbraw/zinc/74/89/60/1070748960.db2.gz ZUCHOWIBGICZRD-HNNXBMFYSA-N 1 0 414.466 -0.814 20 0 HBADRO Cn1c2ncc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cc2c(=O)n(C)c1=O ZINC000588702066 1070749092 /nfs/dbraw/zinc/74/90/92/1070749092.db2.gz ZUCHOWIBGICZRD-OAHLLOKOSA-N 1 0 414.466 -0.814 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000588702344 1070749119 /nfs/dbraw/zinc/74/91/19/1070749119.db2.gz XBCHQTXUUOUXQK-GDBMZVCRSA-N 1 0 400.545 -0.011 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000588702354 1070748853 /nfs/dbraw/zinc/74/88/53/1070748853.db2.gz XBCHQTXUUOUXQK-GOEBONIOSA-N 1 0 400.545 -0.011 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000588702358 1070748809 /nfs/dbraw/zinc/74/88/09/1070748809.db2.gz XBCHQTXUUOUXQK-HOCLYGCPSA-N 1 0 400.545 -0.011 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000588702360 1070748683 /nfs/dbraw/zinc/74/86/83/1070748683.db2.gz XBCHQTXUUOUXQK-ZBFHGGJFSA-N 1 0 400.545 -0.011 20 0 HBADRO Cn1c2nc(C(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ccc2c(=O)n(C)c1=O ZINC000588703931 1070748636 /nfs/dbraw/zinc/74/86/36/1070748636.db2.gz XZXNUEHTJSNRAE-HNNXBMFYSA-N 1 0 414.466 -0.814 20 0 HBADRO Cn1c2nc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2c(=O)n(C)c1=O ZINC000588703933 1070749147 /nfs/dbraw/zinc/74/91/47/1070749147.db2.gz XZXNUEHTJSNRAE-OAHLLOKOSA-N 1 0 414.466 -0.814 20 0 HBADRO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000588735575 1070750052 /nfs/dbraw/zinc/75/00/52/1070750052.db2.gz YTYUAMXBHXLXON-KBPBESRZSA-N 1 0 406.487 -0.345 20 0 HBADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000588735576 1070750168 /nfs/dbraw/zinc/75/01/68/1070750168.db2.gz YTYUAMXBHXLXON-OKILXGFUSA-N 1 0 406.487 -0.345 20 0 HBADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)C[C@@H](C)O1 ZINC000588735577 1070750296 /nfs/dbraw/zinc/75/02/96/1070750296.db2.gz YTYUAMXBHXLXON-ZIAGYGMSSA-N 1 0 406.487 -0.345 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000588735665 1070749621 /nfs/dbraw/zinc/74/96/21/1070749621.db2.gz SHYQWUBZACWDKO-HNNXBMFYSA-N 1 0 407.446 -0.078 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000588735667 1070750279 /nfs/dbraw/zinc/75/02/79/1070750279.db2.gz SHYQWUBZACWDKO-OAHLLOKOSA-N 1 0 407.446 -0.078 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000588744844 1070750321 /nfs/dbraw/zinc/75/03/21/1070750321.db2.gz CLIIRSJKXDZOOC-GXTWGEPZSA-N 1 0 415.516 -0.338 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000588744845 1070750209 /nfs/dbraw/zinc/75/02/09/1070750209.db2.gz CLIIRSJKXDZOOC-JSGCOSHPSA-N 1 0 415.516 -0.338 20 0 HBADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000588758014 1070752708 /nfs/dbraw/zinc/75/27/08/1070752708.db2.gz KYQZTGAUSUSLDL-INIZCTEOSA-N 1 0 400.476 -0.323 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000588758095 1070752409 /nfs/dbraw/zinc/75/24/09/1070752409.db2.gz FYXDSMKJPQWIPB-AWEZNQCLSA-N 1 0 412.512 -0.080 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1OC ZINC000588758098 1070752514 /nfs/dbraw/zinc/75/25/14/1070752514.db2.gz FYXDSMKJPQWIPB-CQSZACIVSA-N 1 0 412.512 -0.080 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000588758489 1070752485 /nfs/dbraw/zinc/75/24/85/1070752485.db2.gz UMFFXECGQYDXEQ-KRWDZBQOSA-N 1 0 412.512 -0.454 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cn1C ZINC000588764299 1070752654 /nfs/dbraw/zinc/75/26/54/1070752654.db2.gz JVEMKJNLVMKHAB-HNNXBMFYSA-N 1 0 400.549 -0.605 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cn1C ZINC000588764300 1070753309 /nfs/dbraw/zinc/75/33/09/1070753309.db2.gz JVEMKJNLVMKHAB-OAHLLOKOSA-N 1 0 400.549 -0.605 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000588780170 1070752013 /nfs/dbraw/zinc/75/20/13/1070752013.db2.gz GEESOLRCWLSJEP-AWEZNQCLSA-N 1 0 420.557 -0.179 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000588780171 1070751772 /nfs/dbraw/zinc/75/17/72/1070751772.db2.gz GEESOLRCWLSJEP-CQSZACIVSA-N 1 0 420.557 -0.179 20 0 HBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000588780436 1070751844 /nfs/dbraw/zinc/75/18/44/1070751844.db2.gz UVTQNDSGBJXYHQ-INIZCTEOSA-N 1 0 410.544 -0.375 20 0 HBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000588780439 1070752538 /nfs/dbraw/zinc/75/25/38/1070752538.db2.gz UVTQNDSGBJXYHQ-MRXNPFEDSA-N 1 0 410.544 -0.375 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000588812604 1070757085 /nfs/dbraw/zinc/75/70/85/1070757085.db2.gz UYLWVQJEDAHLTP-DLBZAZTESA-N 1 0 412.531 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000588812610 1070757172 /nfs/dbraw/zinc/75/71/72/1070757172.db2.gz UYLWVQJEDAHLTP-IAGOWNOFSA-N 1 0 412.531 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000588812612 1070756674 /nfs/dbraw/zinc/75/66/74/1070756674.db2.gz UYLWVQJEDAHLTP-IRXDYDNUSA-N 1 0 412.531 -0.301 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000588812614 1070756873 /nfs/dbraw/zinc/75/68/73/1070756873.db2.gz UYLWVQJEDAHLTP-SJORKVTESA-N 1 0 412.531 -0.301 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)C2)CC1 ZINC000588824762 1068541887 /nfs/dbraw/zinc/54/18/87/1068541887.db2.gz YZVFNWZSMJLWIF-MSOLQXFVSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)C2)CC1 ZINC000588824766 1070757148 /nfs/dbraw/zinc/75/71/48/1070757148.db2.gz YZVFNWZSMJLWIF-QZTJIDSGSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3)C2)CC1 ZINC000588824769 1070756749 /nfs/dbraw/zinc/75/67/49/1070756749.db2.gz YZVFNWZSMJLWIF-ROUUACIJSA-N 1 0 417.558 -0.257 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3)C2)CC1 ZINC000588824771 1070757009 /nfs/dbraw/zinc/75/70/09/1070757009.db2.gz YZVFNWZSMJLWIF-ZWKOTPCHSA-N 1 0 417.558 -0.257 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000588830265 1070756826 /nfs/dbraw/zinc/75/68/26/1070756826.db2.gz STFXOGOBXLZKLI-INIZCTEOSA-N 1 0 424.523 -0.352 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000588830274 1070756940 /nfs/dbraw/zinc/75/69/40/1070756940.db2.gz STFXOGOBXLZKLI-MRXNPFEDSA-N 1 0 424.523 -0.352 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cn1 ZINC000588857950 1070759139 /nfs/dbraw/zinc/75/91/39/1070759139.db2.gz ZRZOODZPTCSYRN-UHFFFAOYSA-N 1 0 408.440 -0.361 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)C[NH+]2CCCC2)cc1 ZINC000588868804 1070759203 /nfs/dbraw/zinc/75/92/03/1070759203.db2.gz GOOLYWNMCROKPH-HNNXBMFYSA-N 1 0 413.496 -0.286 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1 ZINC000588868807 1070759336 /nfs/dbraw/zinc/75/93/36/1070759336.db2.gz GOOLYWNMCROKPH-OAHLLOKOSA-N 1 0 413.496 -0.286 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000588931994 1070761026 /nfs/dbraw/zinc/76/10/26/1070761026.db2.gz ACNKXGRZILFQGT-UHFFFAOYSA-N 1 0 406.487 -0.559 20 0 HBADRO COCC[N@H+](C)CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000588932924 1070760935 /nfs/dbraw/zinc/76/09/35/1070760935.db2.gz TUYYCWZKYFAMQG-UHFFFAOYSA-N 1 0 412.556 -0.004 20 0 HBADRO COCC[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000588934324 1068721230 /nfs/dbraw/zinc/72/12/30/1068721230.db2.gz CAARHRYSJRIFBM-UHFFFAOYSA-N 1 0 400.501 -0.040 20 0 HBADRO COCC[N@H+](C)CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000588934618 1070760968 /nfs/dbraw/zinc/76/09/68/1070760968.db2.gz WHUFOINOMKCVCD-UHFFFAOYSA-N 1 0 400.501 -0.639 20 0 HBADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)N1CC[NH+](C)CC1 ZINC000588935105 1068722456 /nfs/dbraw/zinc/72/24/56/1068722456.db2.gz KZEWCQKCOZFSKL-HNNXBMFYSA-N 1 0 413.544 -0.588 20 0 HBADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)N1CC[NH+](C)CC1 ZINC000588935106 1068722545 /nfs/dbraw/zinc/72/25/45/1068722545.db2.gz KZEWCQKCOZFSKL-OAHLLOKOSA-N 1 0 413.544 -0.588 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[NH+](C)CC1 ZINC000588935189 1070761034 /nfs/dbraw/zinc/76/10/34/1070761034.db2.gz MIYOCEZUGINJGF-AWEZNQCLSA-N 1 0 400.501 -0.334 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[NH+](C)CC1 ZINC000588935190 1070761055 /nfs/dbraw/zinc/76/10/55/1070761055.db2.gz MIYOCEZUGINJGF-CQSZACIVSA-N 1 0 400.501 -0.334 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000588980765 1070761457 /nfs/dbraw/zinc/76/14/57/1070761457.db2.gz DFMBSNFVCWSBOH-UHFFFAOYSA-N 1 0 411.547 -0.327 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000588981944 1068935103 /nfs/dbraw/zinc/93/51/03/1068935103.db2.gz WAASMZYEODCKLW-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000588982799 1070762171 /nfs/dbraw/zinc/76/21/71/1070762171.db2.gz RGTPFZRDLHXGDX-UHFFFAOYSA-N 1 0 403.505 -0.114 20 0 HBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C1=O ZINC000589052905 1070763814 /nfs/dbraw/zinc/76/38/14/1070763814.db2.gz DPSLYFQHFVACBS-AAEUAGOBSA-N 1 0 408.480 -0.033 20 0 HBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000589052906 1070763661 /nfs/dbraw/zinc/76/36/61/1070763661.db2.gz DPSLYFQHFVACBS-DGCLKSJQSA-N 1 0 408.480 -0.033 20 0 HBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)C1=O ZINC000589052907 1070763852 /nfs/dbraw/zinc/76/38/52/1070763852.db2.gz DPSLYFQHFVACBS-WCQYABFASA-N 1 0 408.480 -0.033 20 0 HBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000589052908 1070763705 /nfs/dbraw/zinc/76/37/05/1070763705.db2.gz DPSLYFQHFVACBS-YPMHNXCESA-N 1 0 408.480 -0.033 20 0 HBADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000589219605 1070769380 /nfs/dbraw/zinc/76/93/80/1070769380.db2.gz DGQRCUXYYWXWNF-INIZCTEOSA-N 1 0 404.581 -0.464 20 0 HBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000589219606 1070769445 /nfs/dbraw/zinc/76/94/45/1070769445.db2.gz DGQRCUXYYWXWNF-MRXNPFEDSA-N 1 0 404.581 -0.464 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000589239212 1070770051 /nfs/dbraw/zinc/77/00/51/1070770051.db2.gz HBJSKJIHRUDRDA-CYBMUJFWSA-N 1 0 400.439 -0.733 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000589239215 1070769943 /nfs/dbraw/zinc/76/99/43/1070769943.db2.gz HBJSKJIHRUDRDA-ZDUSSCGKSA-N 1 0 400.439 -0.733 20 0 HBADRO Cn1c2ncn(CC[NH+]3CCC(C(=O)N4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000589245928 1070770880 /nfs/dbraw/zinc/77/08/80/1070770880.db2.gz NHENSUNLALMKAO-UHFFFAOYSA-N 1 0 404.471 -0.996 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000589249685 1070771446 /nfs/dbraw/zinc/77/14/46/1070771446.db2.gz LKQOIRFNTVHHHM-INIZCTEOSA-N 1 0 405.565 -0.780 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000589249693 1070771219 /nfs/dbraw/zinc/77/12/19/1070771219.db2.gz LKQOIRFNTVHHHM-MRXNPFEDSA-N 1 0 405.565 -0.780 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000589250182 1070771857 /nfs/dbraw/zinc/77/18/57/1070771857.db2.gz JTKFLDRGBKPBBU-UHFFFAOYSA-N 1 0 405.565 -0.636 20 0 HBADRO CSC1(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC[NH+](C)CC1 ZINC000589296102 1070773624 /nfs/dbraw/zinc/77/36/24/1070773624.db2.gz DGARZJDCOKIRST-UHFFFAOYSA-N 1 0 400.592 -0.775 20 0 HBADRO CN(C)C(=O)Cn1cc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nn1 ZINC000589385103 1070774080 /nfs/dbraw/zinc/77/40/80/1070774080.db2.gz YELHEUZAUJMZQJ-UHFFFAOYSA-N 1 0 401.471 -0.412 20 0 HBADRO Cn1ncc2c1ncn(CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c2=O ZINC000589385702 1070774071 /nfs/dbraw/zinc/77/40/71/1070774071.db2.gz IIJJZFNMHCWMCN-UHFFFAOYSA-N 1 0 411.466 -0.262 20 0 HBADRO CSC1(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[NH+](C)CC1 ZINC000589476641 1070778744 /nfs/dbraw/zinc/77/87/44/1070778744.db2.gz OWXKYFWMNPJPSP-UHFFFAOYSA-N 1 0 408.528 -0.233 20 0 HBADRO CCN1CCN(CC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C(=O)C1=O ZINC000589553315 1070784230 /nfs/dbraw/zinc/78/42/30/1070784230.db2.gz FEAHTQQDUIQSMY-UHFFFAOYSA-N 1 0 403.483 -0.715 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000589553380 1070784379 /nfs/dbraw/zinc/78/43/79/1070784379.db2.gz GLMAFIDCHYBKDF-UHFFFAOYSA-N 1 0 422.511 -0.694 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 ZINC000589553742 1070784292 /nfs/dbraw/zinc/78/42/92/1070784292.db2.gz NGYMSWYHZFLGHE-UHFFFAOYSA-N 1 0 422.511 -0.472 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)c1 ZINC000589554192 1070784222 /nfs/dbraw/zinc/78/42/22/1070784222.db2.gz SNAHHXMTDGNDNG-UHFFFAOYSA-N 1 0 411.528 -0.490 20 0 HBADRO CSC1(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC[NH+](C)CC1 ZINC000589605362 1070786225 /nfs/dbraw/zinc/78/62/25/1070786225.db2.gz VDCSENNWETZMHL-LSCFUAHRSA-N 1 0 424.527 -0.323 20 0 HBADRO CSC1(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[NH+](C)CC1 ZINC000589608987 1070786778 /nfs/dbraw/zinc/78/67/78/1070786778.db2.gz XNNXMGCUCTVWBU-UHFFFAOYSA-N 1 0 407.606 -0.310 20 0 HBADRO Cn1cc(S(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C(N)=O ZINC000589625110 1070787313 /nfs/dbraw/zinc/78/73/13/1070787313.db2.gz DVQYRMQYVRLMMA-UHFFFAOYSA-N 1 0 407.496 -0.106 20 0 HBADRO COCC(=O)N1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589674417 1070787993 /nfs/dbraw/zinc/78/79/93/1070787993.db2.gz BNBQKUALMODFTF-UHFFFAOYSA-N 1 0 405.499 -0.022 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCNC(=O)c2cnccn2)c1 ZINC000589677097 1070788121 /nfs/dbraw/zinc/78/81/21/1070788121.db2.gz GTQVHHTYSYEZGR-UHFFFAOYSA-N 1 0 413.482 -0.003 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589677237 1070788006 /nfs/dbraw/zinc/78/80/06/1070788006.db2.gz RIGQBUUOVCGXML-UHFFFAOYSA-N 1 0 418.542 -0.059 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589677581 1070788073 /nfs/dbraw/zinc/78/80/73/1070788073.db2.gz LDUZBFVPUMJECZ-UHFFFAOYSA-N 1 0 418.542 -0.012 20 0 HBADRO CN(CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000589701063 1070788476 /nfs/dbraw/zinc/78/84/76/1070788476.db2.gz BKYODMIYNLTQQZ-KRWDZBQOSA-N 1 0 410.540 -0.287 20 0 HBADRO CN(CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000589701065 1070789106 /nfs/dbraw/zinc/78/91/06/1070789106.db2.gz BKYODMIYNLTQQZ-QGZVFWFLSA-N 1 0 410.540 -0.287 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000589701600 1070789170 /nfs/dbraw/zinc/78/91/70/1070789170.db2.gz SVMRGIBNZDANPY-UHFFFAOYSA-N 1 0 407.496 -0.106 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCS(=O)(=O)NC2CC2)c1 ZINC000589757843 1070789696 /nfs/dbraw/zinc/78/96/96/1070789696.db2.gz BGFNIFZRLYYTHL-UHFFFAOYSA-N 1 0 411.528 -0.141 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589757898 1069023086 /nfs/dbraw/zinc/02/30/86/1069023086.db2.gz LQIZHTLQUUMQLE-UHFFFAOYSA-N 1 0 418.542 -0.059 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000589774317 1070789260 /nfs/dbraw/zinc/78/92/60/1070789260.db2.gz KETRVJUTPKQSRK-UHFFFAOYSA-N 1 0 411.528 -0.187 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000589780823 1070790529 /nfs/dbraw/zinc/79/05/29/1070790529.db2.gz AYHHCUWVQIRFCO-UHFFFAOYSA-N 1 0 411.528 -0.235 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000589963267 1070792073 /nfs/dbraw/zinc/79/20/73/1070792073.db2.gz DQDQEURSMRHPQH-GOSISDBHSA-N 1 0 420.539 -0.197 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000589963268 1070792359 /nfs/dbraw/zinc/79/23/59/1070792359.db2.gz DQDQEURSMRHPQH-SFHVURJKSA-N 1 0 420.539 -0.197 20 0 HBADRO COCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000589982066 1070796324 /nfs/dbraw/zinc/79/63/24/1070796324.db2.gz SIOFPSKDIGUPNE-UHFFFAOYSA-N 1 0 400.501 -0.521 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)ccn2)CC1 ZINC000590007629 1070794862 /nfs/dbraw/zinc/79/48/62/1070794862.db2.gz HENKRCVNAZIWIY-UHFFFAOYSA-N 1 0 416.526 -0.550 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)ccn2)CC1 ZINC000590008278 1070794952 /nfs/dbraw/zinc/79/49/52/1070794952.db2.gz XHQDCBKNVVVNRX-UHFFFAOYSA-N 1 0 400.483 -0.604 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000590059823 1070797747 /nfs/dbraw/zinc/79/77/47/1070797747.db2.gz NZQSQAFKQJKONL-UHFFFAOYSA-N 1 0 412.512 -0.404 20 0 HBADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000590059830 1070797677 /nfs/dbraw/zinc/79/76/77/1070797677.db2.gz SOZCGMGOSVBBOP-UHFFFAOYSA-N 1 0 400.476 -0.274 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(=O)n(C)c1=O ZINC000590070952 1070797267 /nfs/dbraw/zinc/79/72/67/1070797267.db2.gz ZZNBHLHOJGIGGW-INIZCTEOSA-N 1 0 421.523 -0.649 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(=O)n(C)c1=O ZINC000590070964 1070796998 /nfs/dbraw/zinc/79/69/98/1070796998.db2.gz ZZNBHLHOJGIGGW-MRXNPFEDSA-N 1 0 421.523 -0.649 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000590117882 1070799584 /nfs/dbraw/zinc/79/95/84/1070799584.db2.gz SBKUVBXUOOWUJF-INIZCTEOSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000590117885 1070799443 /nfs/dbraw/zinc/79/94/43/1070799443.db2.gz SBKUVBXUOOWUJF-MRXNPFEDSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000590118039 1070799143 /nfs/dbraw/zinc/79/91/43/1070799143.db2.gz YMHVWVOJXNRGCF-INIZCTEOSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000590118040 1070798928 /nfs/dbraw/zinc/79/89/28/1070798928.db2.gz YMHVWVOJXNRGCF-MRXNPFEDSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000590118810 1070799621 /nfs/dbraw/zinc/79/96/21/1070799621.db2.gz GRQOLGNSDOTLSQ-HNNXBMFYSA-N 1 0 414.528 -0.113 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000590118811 1070799044 /nfs/dbraw/zinc/79/90/44/1070799044.db2.gz GRQOLGNSDOTLSQ-OAHLLOKOSA-N 1 0 414.528 -0.113 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000590119951 1070799343 /nfs/dbraw/zinc/79/93/43/1070799343.db2.gz VOKGUKSTOVTOGB-AWEZNQCLSA-N 1 0 400.501 -0.124 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000590119952 1070799520 /nfs/dbraw/zinc/79/95/20/1070799520.db2.gz VOKGUKSTOVTOGB-CQSZACIVSA-N 1 0 400.501 -0.124 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(S(C)(=O)=O)c1 ZINC000590279392 1070803843 /nfs/dbraw/zinc/80/38/43/1070803843.db2.gz BYZAXRBLOKKVCG-ABAIWWIYSA-N 1 0 409.464 -0.022 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc(S(C)(=O)=O)c1 ZINC000590279398 1070803937 /nfs/dbraw/zinc/80/39/37/1070803937.db2.gz BYZAXRBLOKKVCG-IAQYHMDHSA-N 1 0 409.464 -0.022 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(S(C)(=O)=O)c1 ZINC000590279400 1069053235 /nfs/dbraw/zinc/05/32/35/1069053235.db2.gz BYZAXRBLOKKVCG-NHYWBVRUSA-N 1 0 409.464 -0.022 20 0 HBADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc(S(C)(=O)=O)c1 ZINC000590279403 1070803412 /nfs/dbraw/zinc/80/34/12/1070803412.db2.gz BYZAXRBLOKKVCG-XHDPSFHLSA-N 1 0 409.464 -0.022 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000590281098 1070804380 /nfs/dbraw/zinc/80/43/80/1070804380.db2.gz LYGKBAVQSSRHGX-GDBMZVCRSA-N 1 0 402.451 -0.381 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000590281104 1070803732 /nfs/dbraw/zinc/80/37/32/1070803732.db2.gz LYGKBAVQSSRHGX-GOEBONIOSA-N 1 0 402.451 -0.381 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000590281106 1069053202 /nfs/dbraw/zinc/05/32/02/1069053202.db2.gz LYGKBAVQSSRHGX-HOCLYGCPSA-N 1 0 402.451 -0.381 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000590281109 1070804199 /nfs/dbraw/zinc/80/41/99/1070804199.db2.gz LYGKBAVQSSRHGX-ZBFHGGJFSA-N 1 0 402.451 -0.381 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000590300511 1070803507 /nfs/dbraw/zinc/80/35/07/1070803507.db2.gz FPZNAQOMFOZJLX-CYBMUJFWSA-N 1 0 418.541 -0.540 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000590300512 1070804027 /nfs/dbraw/zinc/80/40/27/1070804027.db2.gz FPZNAQOMFOZJLX-ZDUSSCGKSA-N 1 0 418.541 -0.540 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000590315219 1070807482 /nfs/dbraw/zinc/80/74/82/1070807482.db2.gz KEIYGFNXHCXHRR-AWEZNQCLSA-N 1 0 418.498 -0.752 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000590315220 1070806504 /nfs/dbraw/zinc/80/65/04/1070806504.db2.gz KEIYGFNXHCXHRR-CQSZACIVSA-N 1 0 418.498 -0.752 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000590315306 1070805964 /nfs/dbraw/zinc/80/59/64/1070805964.db2.gz PFSWJILNNOPRDP-MSOLQXFVSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000590315309 1070806835 /nfs/dbraw/zinc/80/68/35/1070806835.db2.gz PFSWJILNNOPRDP-QZTJIDSGSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000590315311 1069066711 /nfs/dbraw/zinc/06/67/11/1069066711.db2.gz PFSWJILNNOPRDP-ROUUACIJSA-N 1 0 423.558 -0.774 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000590315313 1070807116 /nfs/dbraw/zinc/80/71/16/1070807116.db2.gz PFSWJILNNOPRDP-ZWKOTPCHSA-N 1 0 423.558 -0.774 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000590315828 1069692692 /nfs/dbraw/zinc/69/26/92/1069692692.db2.gz GILWBIXXMMOMIH-HNNXBMFYSA-N 1 0 402.503 -0.075 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000590315833 1070805882 /nfs/dbraw/zinc/80/58/82/1070805882.db2.gz GILWBIXXMMOMIH-OAHLLOKOSA-N 1 0 402.503 -0.075 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1C ZINC000590315851 1070805469 /nfs/dbraw/zinc/80/54/69/1070805469.db2.gz HNONYRKFOQXLCX-AWEZNQCLSA-N 1 0 414.532 -0.899 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000590315856 1070805530 /nfs/dbraw/zinc/80/55/30/1070805530.db2.gz HNONYRKFOQXLCX-CQSZACIVSA-N 1 0 414.532 -0.899 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000590316101 1070806419 /nfs/dbraw/zinc/80/64/19/1070806419.db2.gz KUZZYFCWACRBQF-AWEZNQCLSA-N 1 0 414.532 -0.934 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000590316104 1070807391 /nfs/dbraw/zinc/80/73/91/1070807391.db2.gz KUZZYFCWACRBQF-CQSZACIVSA-N 1 0 414.532 -0.934 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000590317061 1070806732 /nfs/dbraw/zinc/80/67/32/1070806732.db2.gz VCAVQISXSIRXRJ-HNNXBMFYSA-N 1 0 416.482 -0.695 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000590317062 1070806299 /nfs/dbraw/zinc/80/62/99/1070806299.db2.gz VCAVQISXSIRXRJ-OAHLLOKOSA-N 1 0 416.482 -0.695 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000590317077 1070807034 /nfs/dbraw/zinc/80/70/34/1070807034.db2.gz WAAUNNABWPBNBH-INIZCTEOSA-N 1 0 412.512 -0.228 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000590317078 1070806659 /nfs/dbraw/zinc/80/66/59/1070806659.db2.gz WAAUNNABWPBNBH-MRXNPFEDSA-N 1 0 412.512 -0.228 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000590361244 1070807856 /nfs/dbraw/zinc/80/78/56/1070807856.db2.gz IVLOSZNVFDLTAS-INIZCTEOSA-N 1 0 404.515 -0.033 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000590361247 1070808025 /nfs/dbraw/zinc/80/80/25/1070808025.db2.gz IVLOSZNVFDLTAS-MRXNPFEDSA-N 1 0 404.515 -0.033 20 0 HBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000590365990 1070808201 /nfs/dbraw/zinc/80/82/01/1070808201.db2.gz DISGMGNUZZWVKW-UHFFFAOYSA-N 1 0 415.494 -0.321 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000590368379 1070808962 /nfs/dbraw/zinc/80/89/62/1070808962.db2.gz WDOGCXWMNNXATE-UHFFFAOYSA-N 1 0 417.510 -0.075 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000590369501 1070808876 /nfs/dbraw/zinc/80/88/76/1070808876.db2.gz MCRYICSNSHHZHM-UHFFFAOYSA-N 1 0 411.528 -0.320 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000590494868 1069165372 /nfs/dbraw/zinc/16/53/72/1069165372.db2.gz JFOLTPHAZWQFII-UHFFFAOYSA-N 1 0 424.523 -0.447 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000590495015 1070813282 /nfs/dbraw/zinc/81/32/82/1070813282.db2.gz RUDWZZYMMXLVBO-UHFFFAOYSA-N 1 0 421.523 -0.187 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000590495846 1070812934 /nfs/dbraw/zinc/81/29/34/1070812934.db2.gz CHDZNGKSCOQNMW-HNNXBMFYSA-N 1 0 410.496 -0.014 20 0 HBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000590495848 1070812540 /nfs/dbraw/zinc/81/25/40/1070812540.db2.gz CHDZNGKSCOQNMW-OAHLLOKOSA-N 1 0 410.496 -0.014 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590496748 1070813385 /nfs/dbraw/zinc/81/33/85/1070813385.db2.gz NIZXGTDLVDSOKH-MOPGFXCFSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590496752 1070813109 /nfs/dbraw/zinc/81/31/09/1070813109.db2.gz NIZXGTDLVDSOKH-OALUTQOASA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590496761 1070812319 /nfs/dbraw/zinc/81/23/19/1070812319.db2.gz NIZXGTDLVDSOKH-RBUKOAKNSA-N 1 0 408.543 -0.120 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590496762 1070812756 /nfs/dbraw/zinc/81/27/56/1070812756.db2.gz NIZXGTDLVDSOKH-RTBURBONSA-N 1 0 408.543 -0.120 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CO)C[NH+](C)C)o1 ZINC000590548822 1070819063 /nfs/dbraw/zinc/81/90/63/1070819063.db2.gz GRKJJFWRPPEITC-CHWSQXEVSA-N 1 0 417.484 -0.352 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C[NH+](C)C)o1 ZINC000590548824 1070819373 /nfs/dbraw/zinc/81/93/73/1070819373.db2.gz GRKJJFWRPPEITC-OLZOCXBDSA-N 1 0 417.484 -0.352 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC000590548825 1070819215 /nfs/dbraw/zinc/81/92/15/1070819215.db2.gz GRKJJFWRPPEITC-QWHCGFSZSA-N 1 0 417.484 -0.352 20 0 HBADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC000590548827 1070819489 /nfs/dbraw/zinc/81/94/89/1070819489.db2.gz GRKJJFWRPPEITC-STQMWFEESA-N 1 0 417.484 -0.352 20 0 HBADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000590640411 1070823721 /nfs/dbraw/zinc/82/37/21/1070823721.db2.gz VFHZIGTVHXXXHA-UHFFFAOYSA-N 1 0 418.542 -0.097 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000590642626 1070823479 /nfs/dbraw/zinc/82/34/79/1070823479.db2.gz VEMVMYBBXQABBY-INIZCTEOSA-N 1 0 418.542 -0.098 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000590642627 1070823027 /nfs/dbraw/zinc/82/30/27/1070823027.db2.gz VEMVMYBBXQABBY-MRXNPFEDSA-N 1 0 418.542 -0.098 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000590676549 1070825491 /nfs/dbraw/zinc/82/54/91/1070825491.db2.gz DNYDAFQWSOSSBR-GOSISDBHSA-N 1 0 417.510 -0.279 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000590676550 1070825465 /nfs/dbraw/zinc/82/54/65/1070825465.db2.gz DNYDAFQWSOSSBR-SFHVURJKSA-N 1 0 417.510 -0.279 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000590699331 1070826582 /nfs/dbraw/zinc/82/65/82/1070826582.db2.gz HBHMRJBBDIVOAM-KRWDZBQOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000590699332 1070826345 /nfs/dbraw/zinc/82/63/45/1070826345.db2.gz HBHMRJBBDIVOAM-QGZVFWFLSA-N 1 0 402.499 -0.423 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000590701758 1070827520 /nfs/dbraw/zinc/82/75/20/1070827520.db2.gz UJTRKZBDQRLBBI-KRWDZBQOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000590701759 1070827073 /nfs/dbraw/zinc/82/70/73/1070827073.db2.gz UJTRKZBDQRLBBI-QGZVFWFLSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)CNC(C)=O)cn2)CC1 ZINC000590701762 1070826849 /nfs/dbraw/zinc/82/68/49/1070826849.db2.gz VHKLFSJBKUIIJP-GOSISDBHSA-N 1 0 416.526 -0.033 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)cn2)CC1 ZINC000590701763 1070827320 /nfs/dbraw/zinc/82/73/20/1070827320.db2.gz VHKLFSJBKUIIJP-SFHVURJKSA-N 1 0 416.526 -0.033 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000590704913 1070828145 /nfs/dbraw/zinc/82/81/45/1070828145.db2.gz ASFMWJGOCFEFDU-KRWDZBQOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000590704914 1070828350 /nfs/dbraw/zinc/82/83/50/1070828350.db2.gz ASFMWJGOCFEFDU-QGZVFWFLSA-N 1 0 402.499 -0.423 20 0 HBADRO NS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000590740311 1070829014 /nfs/dbraw/zinc/82/90/14/1070829014.db2.gz HSHNEOWXLCIUMN-UHFFFAOYSA-N 1 0 400.526 -0.295 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(c4cc[nH+]cc4)CC3)cnc21 ZINC000590792043 1070828627 /nfs/dbraw/zinc/82/86/27/1070828627.db2.gz XBCVCSZTUNFBAH-UHFFFAOYSA-N 1 0 402.436 -0.060 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000590796316 1070829528 /nfs/dbraw/zinc/82/95/28/1070829528.db2.gz GOMHTAOBGMEIMD-UHFFFAOYSA-N 1 0 408.480 -0.054 20 0 HBADRO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590796343 1070829371 /nfs/dbraw/zinc/82/93/71/1070829371.db2.gz NRFKQHDJSGDTAG-UHFFFAOYSA-N 1 0 416.525 -0.737 20 0 HBADRO NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590816660 1070831171 /nfs/dbraw/zinc/83/11/71/1070831171.db2.gz SWPCPICPRAQRCA-UHFFFAOYSA-N 1 0 410.496 -0.521 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000590836954 1070830068 /nfs/dbraw/zinc/83/00/68/1070830068.db2.gz LDBXSYZLBOPVPN-UHFFFAOYSA-N 1 0 401.533 -0.638 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(OC)n1 ZINC000590879187 1070831972 /nfs/dbraw/zinc/83/19/72/1070831972.db2.gz RPIGNIOPBJLTLT-UHFFFAOYSA-N 1 0 405.455 -0.196 20 0 HBADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590879402 1070832022 /nfs/dbraw/zinc/83/20/22/1070832022.db2.gz ANUGGNONCBWNQC-UHFFFAOYSA-N 1 0 415.494 -0.320 20 0 HBADRO NC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1F ZINC000590879405 1070831817 /nfs/dbraw/zinc/83/18/17/1070831817.db2.gz BXVKWDOXAYCDMP-UHFFFAOYSA-N 1 0 405.430 -0.370 20 0 HBADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc12 ZINC000590879408 1070832087 /nfs/dbraw/zinc/83/20/87/1070832087.db2.gz DVYMTIQRUUCLHZ-UHFFFAOYSA-N 1 0 413.482 -0.018 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000590879428 1070832371 /nfs/dbraw/zinc/83/23/71/1070832371.db2.gz SKLXSFWFISKDDJ-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000590879429 1070831924 /nfs/dbraw/zinc/83/19/24/1070831924.db2.gz SXIRAOIPVTUCRZ-UHFFFAOYSA-N 1 0 415.450 -0.277 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000590914919 1070832930 /nfs/dbraw/zinc/83/29/30/1070832930.db2.gz NILHZYAMZQEFJE-UHFFFAOYSA-N 1 0 402.542 -0.049 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000590953657 1070834466 /nfs/dbraw/zinc/83/44/66/1070834466.db2.gz BSMDJYFYLVOVBG-UHFFFAOYSA-N 1 0 408.547 -0.510 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000590964720 1070834672 /nfs/dbraw/zinc/83/46/72/1070834672.db2.gz OYCLRZCJKQMFMC-UHFFFAOYSA-N 1 0 412.512 -0.275 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000590979013 1070838390 /nfs/dbraw/zinc/83/83/90/1070838390.db2.gz KGIVJQUAIQVPGH-UHFFFAOYSA-N 1 0 405.565 -0.100 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000590982369 1070838453 /nfs/dbraw/zinc/83/84/53/1070838453.db2.gz GERGZEFBDZAWLN-UHFFFAOYSA-N 1 0 417.576 -0.146 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000590983947 1070838079 /nfs/dbraw/zinc/83/80/79/1070838079.db2.gz JUBJQJLPFQLWMX-UHFFFAOYSA-N 1 0 403.549 -0.392 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000590991995 1070838294 /nfs/dbraw/zinc/83/82/94/1070838294.db2.gz GDKIADJXCJBUNW-UHFFFAOYSA-N 1 0 417.510 -0.074 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000590992011 1070838016 /nfs/dbraw/zinc/83/80/16/1070838016.db2.gz OPMDYVDNVIVXLX-UHFFFAOYSA-N 1 0 417.466 -0.031 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000590992019 1070838566 /nfs/dbraw/zinc/83/85/66/1070838566.db2.gz XFYYAAFTIFJJCA-UHFFFAOYSA-N 1 0 407.446 -0.124 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000591024441 1070840705 /nfs/dbraw/zinc/84/07/05/1070840705.db2.gz UVKGVNFXPXBEQZ-UHFFFAOYSA-N 1 0 410.563 -0.800 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000591080601 1070841032 /nfs/dbraw/zinc/84/10/32/1070841032.db2.gz NJVAEJUGKNYETJ-INIZCTEOSA-N 1 0 409.512 -0.313 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000591080602 1070841463 /nfs/dbraw/zinc/84/14/63/1070841463.db2.gz NJVAEJUGKNYETJ-MRXNPFEDSA-N 1 0 409.512 -0.313 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000591080960 1070842813 /nfs/dbraw/zinc/84/28/13/1070842813.db2.gz WUSBYBDJPBHACL-INIZCTEOSA-N 1 0 409.512 -0.313 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000591080961 1070843091 /nfs/dbraw/zinc/84/30/91/1070843091.db2.gz WUSBYBDJPBHACL-MRXNPFEDSA-N 1 0 409.512 -0.313 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591081585 1070841405 /nfs/dbraw/zinc/84/14/05/1070841405.db2.gz NKDCEHMDUNCOFM-MSOLQXFVSA-N 1 0 408.524 -0.246 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591081586 1070841906 /nfs/dbraw/zinc/84/19/06/1070841906.db2.gz NKDCEHMDUNCOFM-QZTJIDSGSA-N 1 0 408.524 -0.246 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591081587 1070842282 /nfs/dbraw/zinc/84/22/82/1070842282.db2.gz NKDCEHMDUNCOFM-ROUUACIJSA-N 1 0 408.524 -0.246 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591081588 1070841090 /nfs/dbraw/zinc/84/10/90/1070841090.db2.gz NKDCEHMDUNCOFM-ZWKOTPCHSA-N 1 0 408.524 -0.246 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000591081692 1070841288 /nfs/dbraw/zinc/84/12/88/1070841288.db2.gz SKRBOSGTUGPHDY-CABCVRRESA-N 1 0 407.515 -0.501 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(=O)n(C)c1=O ZINC000591081697 1070842345 /nfs/dbraw/zinc/84/23/45/1070842345.db2.gz SKRBOSGTUGPHDY-GJZGRUSLSA-N 1 0 407.515 -0.501 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000591081699 1070842169 /nfs/dbraw/zinc/84/21/69/1070842169.db2.gz SKRBOSGTUGPHDY-HUUCEWRRSA-N 1 0 407.515 -0.501 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(=O)n(C)c1=O ZINC000591081701 1070841349 /nfs/dbraw/zinc/84/13/49/1070841349.db2.gz SKRBOSGTUGPHDY-LSDHHAIUSA-N 1 0 407.515 -0.501 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591081724 1070841511 /nfs/dbraw/zinc/84/15/11/1070841511.db2.gz UAQBJZVYRLRNMH-ATZDWAIDSA-N 1 0 424.567 -0.088 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591081725 1070842424 /nfs/dbraw/zinc/84/24/24/1070842424.db2.gz UAQBJZVYRLRNMH-AYOQOUSVSA-N 1 0 424.567 -0.088 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591081726 1070842223 /nfs/dbraw/zinc/84/22/23/1070842223.db2.gz UAQBJZVYRLRNMH-LZQZEXGQSA-N 1 0 424.567 -0.088 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591081727 1070840972 /nfs/dbraw/zinc/84/09/72/1070840972.db2.gz UAQBJZVYRLRNMH-MNEFBYGVSA-N 1 0 424.567 -0.088 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000591178959 1070846391 /nfs/dbraw/zinc/84/63/91/1070846391.db2.gz FCLNCKANLHRCPB-AWEZNQCLSA-N 1 0 402.455 -0.293 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000591178960 1070845934 /nfs/dbraw/zinc/84/59/34/1070845934.db2.gz FCLNCKANLHRCPB-CQSZACIVSA-N 1 0 402.455 -0.293 20 0 HBADRO Cn1c(=O)ccn(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1=O ZINC000591214869 1070850373 /nfs/dbraw/zinc/85/03/73/1070850373.db2.gz DOSQLNUJBWLBMG-UHFFFAOYSA-N 1 0 401.471 -0.944 20 0 HBADRO CC1(C)NC(=O)N(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000591215066 1070850104 /nfs/dbraw/zinc/85/01/04/1070850104.db2.gz DSNNJIJZOVYQEL-UHFFFAOYSA-N 1 0 403.487 -0.175 20 0 HBADRO COCCN1C[C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000591215237 1070849956 /nfs/dbraw/zinc/84/99/56/1070849956.db2.gz OPTNHNXLBSTGCV-KRWDZBQOSA-N 1 0 404.515 -0.010 20 0 HBADRO COCCN1C[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000591215238 1070850505 /nfs/dbraw/zinc/85/05/05/1070850505.db2.gz OPTNHNXLBSTGCV-QGZVFWFLSA-N 1 0 404.515 -0.010 20 0 HBADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591215789 1070850169 /nfs/dbraw/zinc/85/01/69/1070850169.db2.gz ITUTVRAVRBBVCW-INIZCTEOSA-N 1 0 410.544 -0.081 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591215790 1070850260 /nfs/dbraw/zinc/85/02/60/1070850260.db2.gz ITUTVRAVRBBVCW-MRXNPFEDSA-N 1 0 410.544 -0.081 20 0 HBADRO CCN1CCN(CC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C(=O)C1=O ZINC000591235468 1070850757 /nfs/dbraw/zinc/85/07/57/1070850757.db2.gz AMDFZQQBHJYKIB-UHFFFAOYSA-N 1 0 415.538 -0.047 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000591275102 1070853070 /nfs/dbraw/zinc/85/30/70/1070853070.db2.gz BRAQJMMICCRVPJ-UHFFFAOYSA-N 1 0 413.438 -0.814 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1 ZINC000591276209 1070852491 /nfs/dbraw/zinc/85/24/91/1070852491.db2.gz XNNZBOYCZKPIRA-UHFFFAOYSA-N 1 0 413.438 -0.814 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)c1 ZINC000591276398 1070853195 /nfs/dbraw/zinc/85/31/95/1070853195.db2.gz HTSCXENIGAKFQV-UHFFFAOYSA-N 1 0 410.434 -0.002 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000591276633 1070852535 /nfs/dbraw/zinc/85/25/35/1070852535.db2.gz VKNWRFWFFITWMI-UHFFFAOYSA-N 1 0 410.434 -0.002 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)CC2)c1 ZINC000591277243 1070853122 /nfs/dbraw/zinc/85/31/22/1070853122.db2.gz UHDIQAFDVPBCMQ-UHFFFAOYSA-N 1 0 412.450 -0.058 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC000591279155 1070852978 /nfs/dbraw/zinc/85/29/78/1070852978.db2.gz FKUUKXFFGHXZIG-UHFFFAOYSA-N 1 0 408.484 -0.241 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000591301382 1070852763 /nfs/dbraw/zinc/85/27/63/1070852763.db2.gz ARLDRILKNAEDKN-UHFFFAOYSA-N 1 0 400.457 -0.722 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000591301507 1070852859 /nfs/dbraw/zinc/85/28/59/1070852859.db2.gz ZCBLJQMPEMXJDL-UHFFFAOYSA-N 1 0 402.517 -0.304 20 0 HBADRO Cn1c2ncn(CC(=O)NCC3([NH+]4CCCC4)CCOCC3)c2c(=O)n(C)c1=O ZINC000591329853 1070853415 /nfs/dbraw/zinc/85/34/15/1070853415.db2.gz PYQFEEBOHYHLTJ-UHFFFAOYSA-N 1 0 404.471 -0.805 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCCC3)CCOCC1)c(=O)n2C ZINC000591330969 1070853735 /nfs/dbraw/zinc/85/37/35/1070853735.db2.gz ZHPOZTHYKLTURF-UHFFFAOYSA-N 1 0 404.471 -0.805 20 0 HBADRO Cn1c2ncn(CCC(=O)NCC3([NH+]4CCCC4)CCOCC3)c2c(=O)n(C)c1=O ZINC000591331837 1070854150 /nfs/dbraw/zinc/85/41/50/1070854150.db2.gz YRXSGJNKPQTKEN-UHFFFAOYSA-N 1 0 418.498 -0.415 20 0 HBADRO Cn1cc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000591394566 1070858527 /nfs/dbraw/zinc/85/85/27/1070858527.db2.gz XFROUMUMABBTHL-UHFFFAOYSA-N 1 0 410.496 -0.455 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000591404988 1070858438 /nfs/dbraw/zinc/85/84/38/1070858438.db2.gz ZWYRPQAQOHYVOJ-LLVKDONJSA-N 1 0 403.530 -0.218 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000591404989 1070858900 /nfs/dbraw/zinc/85/89/00/1070858900.db2.gz ZWYRPQAQOHYVOJ-NSHDSACASA-N 1 0 403.530 -0.218 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000591405667 1070858286 /nfs/dbraw/zinc/85/82/86/1070858286.db2.gz HGRFSTCVWCNICC-INIZCTEOSA-N 1 0 410.563 -0.136 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000591405673 1070858137 /nfs/dbraw/zinc/85/81/37/1070858137.db2.gz HGRFSTCVWCNICC-MRXNPFEDSA-N 1 0 410.563 -0.136 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591410205 1070855751 /nfs/dbraw/zinc/85/57/51/1070855751.db2.gz HVHLIRMBOSKWNX-INIZCTEOSA-N 1 0 404.515 -0.031 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591410206 1070856280 /nfs/dbraw/zinc/85/62/80/1070856280.db2.gz HVHLIRMBOSKWNX-MRXNPFEDSA-N 1 0 404.515 -0.031 20 0 HBADRO COc1ccnc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000591413067 1070856852 /nfs/dbraw/zinc/85/68/52/1070856852.db2.gz KBXQVPCXAGTHMK-HNNXBMFYSA-N 1 0 405.503 -0.096 20 0 HBADRO COc1ccnc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000591413068 1070856664 /nfs/dbraw/zinc/85/66/64/1070856664.db2.gz KBXQVPCXAGTHMK-OAHLLOKOSA-N 1 0 405.503 -0.096 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000591413149 1070856719 /nfs/dbraw/zinc/85/67/19/1070856719.db2.gz SXBRSPQFMOEBIQ-HNNXBMFYSA-N 1 0 411.528 -0.237 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000591413150 1070856813 /nfs/dbraw/zinc/85/68/13/1070856813.db2.gz SXBRSPQFMOEBIQ-OAHLLOKOSA-N 1 0 411.528 -0.237 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)nc1 ZINC000591414482 1070856934 /nfs/dbraw/zinc/85/69/34/1070856934.db2.gz ONTDPSGMPCMJQH-INIZCTEOSA-N 1 0 417.514 -0.401 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)nc1 ZINC000591414483 1070856546 /nfs/dbraw/zinc/85/65/46/1070856546.db2.gz ONTDPSGMPCMJQH-MRXNPFEDSA-N 1 0 417.514 -0.401 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000591414570 1070856764 /nfs/dbraw/zinc/85/67/64/1070856764.db2.gz VEGDBURPQYRYDD-HNNXBMFYSA-N 1 0 411.528 -0.149 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000591414571 1070857059 /nfs/dbraw/zinc/85/70/59/1070857059.db2.gz VEGDBURPQYRYDD-OAHLLOKOSA-N 1 0 411.528 -0.149 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000591417607 1070856341 /nfs/dbraw/zinc/85/63/41/1070856341.db2.gz BNXGWQCFDRPTSR-UHFFFAOYSA-N 1 0 416.592 -0.320 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000591464643 1070860237 /nfs/dbraw/zinc/86/02/37/1070860237.db2.gz RPCRKKZOZDPQCJ-UHFFFAOYSA-N 1 0 421.523 -0.029 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000591552286 1070868670 /nfs/dbraw/zinc/86/86/70/1070868670.db2.gz OTPIZJHDAAKRPB-HOTGVXAUSA-N 1 0 423.514 -0.512 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@@H](C)O1 ZINC000591552291 1070868435 /nfs/dbraw/zinc/86/84/35/1070868435.db2.gz OTPIZJHDAAKRPB-HZPDHXFCSA-N 1 0 423.514 -0.512 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000591552292 1070868573 /nfs/dbraw/zinc/86/85/73/1070868573.db2.gz OTPIZJHDAAKRPB-IYBDPMFKSA-N 1 0 423.514 -0.512 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000591554145 1070868999 /nfs/dbraw/zinc/86/89/99/1070868999.db2.gz SXWSLKXZWOSJKI-UHFFFAOYSA-N 1 0 422.530 -0.985 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000591554328 1070868856 /nfs/dbraw/zinc/86/88/56/1070868856.db2.gz XYPOWHWOBVYRDJ-UHFFFAOYSA-N 1 0 422.530 -0.985 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000591559682 1070868489 /nfs/dbraw/zinc/86/84/89/1070868489.db2.gz GOUWDZAMYUDRAU-UHFFFAOYSA-N 1 0 409.487 -0.898 20 0 HBADRO COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000591576788 1070869537 /nfs/dbraw/zinc/86/95/37/1070869537.db2.gz XJRLMWDZQALYCK-UHFFFAOYSA-N 1 0 409.487 -0.900 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000591584026 1070869632 /nfs/dbraw/zinc/86/96/32/1070869632.db2.gz HSTDWMWGVIPYPS-UHFFFAOYSA-N 1 0 417.576 -0.492 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584046 1070869729 /nfs/dbraw/zinc/86/97/29/1070869729.db2.gz JECHASDAVPKBNF-UHFFFAOYSA-N 1 0 418.608 -0.769 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000591615931 1070870424 /nfs/dbraw/zinc/87/04/24/1070870424.db2.gz HLGNBBWJLZOHHL-HNNXBMFYSA-N 1 0 402.565 -0.712 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000591615934 1070870626 /nfs/dbraw/zinc/87/06/26/1070870626.db2.gz HLGNBBWJLZOHHL-OAHLLOKOSA-N 1 0 402.565 -0.712 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000591617904 1070870376 /nfs/dbraw/zinc/87/03/76/1070870376.db2.gz GCIWPCTVUVLSAP-KRWDZBQOSA-N 1 0 409.531 -0.181 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000591617905 1070870731 /nfs/dbraw/zinc/87/07/31/1070870731.db2.gz GCIWPCTVUVLSAP-QGZVFWFLSA-N 1 0 409.531 -0.181 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000591628216 1070871419 /nfs/dbraw/zinc/87/14/19/1070871419.db2.gz FEPINRBIOZAWAY-UHFFFAOYSA-N 1 0 407.515 -0.236 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000591628751 1070871256 /nfs/dbraw/zinc/87/12/56/1070871256.db2.gz QFNMFKCBKVZLIM-UHFFFAOYSA-N 1 0 403.549 -0.235 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)CC1=O ZINC000591638084 1070872043 /nfs/dbraw/zinc/87/20/43/1070872043.db2.gz AAWJEOYLQZEDRO-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)CC1=O ZINC000591638085 1070872464 /nfs/dbraw/zinc/87/24/64/1070872464.db2.gz AAWJEOYLQZEDRO-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)CC1=O ZINC000591638086 1070872300 /nfs/dbraw/zinc/87/23/00/1070872300.db2.gz AAWJEOYLQZEDRO-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)CC1=O ZINC000591638087 1070871947 /nfs/dbraw/zinc/87/19/47/1070871947.db2.gz AAWJEOYLQZEDRO-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1=O ZINC000591638863 1070872127 /nfs/dbraw/zinc/87/21/27/1070872127.db2.gz NCLMBWYPSAENPQ-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1=O ZINC000591638864 1070871997 /nfs/dbraw/zinc/87/19/97/1070871997.db2.gz NCLMBWYPSAENPQ-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1=O ZINC000591638865 1070872519 /nfs/dbraw/zinc/87/25/19/1070872519.db2.gz NCLMBWYPSAENPQ-HRCADAONSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1=O ZINC000591638866 1070872341 /nfs/dbraw/zinc/87/23/41/1070872341.db2.gz NCLMBWYPSAENPQ-OWCLPIDISA-N 1 0 400.545 -0.141 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000591638920 1070872422 /nfs/dbraw/zinc/87/24/22/1070872422.db2.gz PMOSGZAZUPOJID-AWEZNQCLSA-N 1 0 400.549 -0.461 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000591638925 1070871831 /nfs/dbraw/zinc/87/18/31/1070871831.db2.gz PMOSGZAZUPOJID-CQSZACIVSA-N 1 0 400.549 -0.461 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1C ZINC000591639837 1070872840 /nfs/dbraw/zinc/87/28/40/1070872840.db2.gz VAEVRCJAOAZJFX-UHFFFAOYSA-N 1 0 412.560 -0.363 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cn1C ZINC000591640678 1070872906 /nfs/dbraw/zinc/87/29/06/1070872906.db2.gz FAXCTDMOJYBRAN-AWEZNQCLSA-N 1 0 400.549 -0.603 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cn1C ZINC000591640679 1070873274 /nfs/dbraw/zinc/87/32/74/1070873274.db2.gz FAXCTDMOJYBRAN-CQSZACIVSA-N 1 0 400.549 -0.603 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000591641061 1070873147 /nfs/dbraw/zinc/87/31/47/1070873147.db2.gz MSHAONQSAYSIPE-UHFFFAOYSA-N 1 0 414.576 -0.069 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O ZINC000591641802 1070873509 /nfs/dbraw/zinc/87/35/09/1070873509.db2.gz UPYVYPHOJIDHHN-CVEARBPZSA-N 1 0 415.560 -0.730 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O ZINC000591641813 1070873011 /nfs/dbraw/zinc/87/30/11/1070873011.db2.gz UPYVYPHOJIDHHN-HOTGVXAUSA-N 1 0 415.560 -0.730 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O ZINC000591641814 1070872771 /nfs/dbraw/zinc/87/27/71/1070872771.db2.gz UPYVYPHOJIDHHN-HZPDHXFCSA-N 1 0 415.560 -0.730 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1=O ZINC000591641815 1070873401 /nfs/dbraw/zinc/87/34/01/1070873401.db2.gz UPYVYPHOJIDHHN-JKSUJKDBSA-N 1 0 415.560 -0.730 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1=O ZINC000591643404 1070873597 /nfs/dbraw/zinc/87/35/97/1070873597.db2.gz CASFERNLTXPDBL-CVEARBPZSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1=O ZINC000591643405 1070873054 /nfs/dbraw/zinc/87/30/54/1070873054.db2.gz CASFERNLTXPDBL-HOTGVXAUSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1=O ZINC000591643406 1070872658 /nfs/dbraw/zinc/87/26/58/1070872658.db2.gz CASFERNLTXPDBL-HZPDHXFCSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1=O ZINC000591643407 1070873349 /nfs/dbraw/zinc/87/33/49/1070873349.db2.gz CASFERNLTXPDBL-JKSUJKDBSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000591651367 1070872714 /nfs/dbraw/zinc/87/27/14/1070872714.db2.gz MSPAKXYWDRGFQR-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000591651368 1070873456 /nfs/dbraw/zinc/87/34/56/1070873456.db2.gz MSPAKXYWDRGFQR-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000591651370 1070873100 /nfs/dbraw/zinc/87/31/00/1070873100.db2.gz MSPAKXYWDRGFQR-HRCADAONSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000591651372 1070873964 /nfs/dbraw/zinc/87/39/64/1070873964.db2.gz MSPAKXYWDRGFQR-OWCLPIDISA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O ZINC000591651641 1070873557 /nfs/dbraw/zinc/87/35/57/1070873557.db2.gz XHQCKUNHPHPPDY-CVEARBPZSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O ZINC000591651642 1069200042 /nfs/dbraw/zinc/20/00/42/1069200042.db2.gz XHQCKUNHPHPPDY-HOTGVXAUSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O ZINC000591651643 1070872865 /nfs/dbraw/zinc/87/28/65/1070872865.db2.gz XHQCKUNHPHPPDY-HZPDHXFCSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O ZINC000591651645 1070873190 /nfs/dbraw/zinc/87/31/90/1070873190.db2.gz XHQCKUNHPHPPDY-JKSUJKDBSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000591734677 1070875416 /nfs/dbraw/zinc/87/54/16/1070875416.db2.gz GQHKOEXFZXICQG-HNNXBMFYSA-N 1 0 405.499 -0.108 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000591734678 1070875760 /nfs/dbraw/zinc/87/57/60/1070875760.db2.gz GQHKOEXFZXICQG-OAHLLOKOSA-N 1 0 405.499 -0.108 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000591737451 1070875529 /nfs/dbraw/zinc/87/55/29/1070875529.db2.gz YORKEJIKHWSOOP-UHFFFAOYSA-N 1 0 405.499 -0.106 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000591738001 1070875712 /nfs/dbraw/zinc/87/57/12/1070875712.db2.gz AKKYWYBRPURRFT-UHFFFAOYSA-N 1 0 417.510 -0.010 20 0 HBADRO C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000591755504 1070877007 /nfs/dbraw/zinc/87/70/07/1070877007.db2.gz MHXWYLWKSORKKM-AWEZNQCLSA-N 1 0 419.482 -0.069 20 0 HBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000591755505 1070877267 /nfs/dbraw/zinc/87/72/67/1070877267.db2.gz MHXWYLWKSORKKM-CQSZACIVSA-N 1 0 419.482 -0.069 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)ccc1C ZINC000591852044 1070883247 /nfs/dbraw/zinc/88/32/47/1070883247.db2.gz RMYJCLGHCQLDQC-UHFFFAOYSA-N 1 0 400.501 -0.122 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000591852084 1070883068 /nfs/dbraw/zinc/88/30/68/1070883068.db2.gz WZLDEXSXMMXISI-UHFFFAOYSA-N 1 0 405.459 -0.046 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN2CCCS2(=O)=O)CC1=O ZINC000591865833 1070883139 /nfs/dbraw/zinc/88/31/39/1070883139.db2.gz SOVPSNHBRZKNCC-CVEARBPZSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN2CCCS2(=O)=O)CC1=O ZINC000591865834 1070882959 /nfs/dbraw/zinc/88/29/59/1070882959.db2.gz SOVPSNHBRZKNCC-HOTGVXAUSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN2CCCS2(=O)=O)CC1=O ZINC000591865835 1070883359 /nfs/dbraw/zinc/88/33/59/1070883359.db2.gz SOVPSNHBRZKNCC-HZPDHXFCSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN2CCCS2(=O)=O)CC1=O ZINC000591865836 1070883200 /nfs/dbraw/zinc/88/32/00/1070883200.db2.gz SOVPSNHBRZKNCC-JKSUJKDBSA-N 1 0 400.545 -0.139 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000592096627 1070890234 /nfs/dbraw/zinc/89/02/34/1070890234.db2.gz QAHNMYYTFQLZGE-INIZCTEOSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000592096634 1070890308 /nfs/dbraw/zinc/89/03/08/1070890308.db2.gz QAHNMYYTFQLZGE-MRXNPFEDSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000592098931 1070888801 /nfs/dbraw/zinc/88/88/01/1070888801.db2.gz OJHCFQWDQXMCLQ-GFCCVEGCSA-N 1 0 412.468 -0.531 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000592098932 1070888946 /nfs/dbraw/zinc/88/89/46/1070888946.db2.gz OJHCFQWDQXMCLQ-LBPRGKRZSA-N 1 0 412.468 -0.531 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000592100053 1070889037 /nfs/dbraw/zinc/88/90/37/1070889037.db2.gz HSWRXNMUKRNEPL-HNNXBMFYSA-N 1 0 414.528 -0.113 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000592100054 1070889174 /nfs/dbraw/zinc/88/91/74/1070889174.db2.gz HSWRXNMUKRNEPL-OAHLLOKOSA-N 1 0 414.528 -0.113 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000592101024 1070889116 /nfs/dbraw/zinc/88/91/16/1070889116.db2.gz LKZJJRZSYAWQSW-INIZCTEOSA-N 1 0 424.523 -0.352 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000592101026 1070888491 /nfs/dbraw/zinc/88/84/91/1070888491.db2.gz LKZJJRZSYAWQSW-MRXNPFEDSA-N 1 0 424.523 -0.352 20 0 HBADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000592116024 1070890821 /nfs/dbraw/zinc/89/08/21/1070890821.db2.gz IQWAMZAPMMPPSO-UHFFFAOYSA-N 1 0 418.523 0.273 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCC[N@H+](C)CCOC)c1 ZINC000592295588 1070893589 /nfs/dbraw/zinc/89/35/89/1070893589.db2.gz AKPQSSCZFGNOPI-CYBMUJFWSA-N 1 0 415.516 -0.201 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCC[N@H+](C)CCOC)c1 ZINC000592295589 1070893820 /nfs/dbraw/zinc/89/38/20/1070893820.db2.gz AKPQSSCZFGNOPI-ZDUSSCGKSA-N 1 0 415.516 -0.201 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592401332 1070895848 /nfs/dbraw/zinc/89/58/48/1070895848.db2.gz DCDAQCONHWPZGD-NEPJUHHUSA-N 1 0 401.261 -0.231 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592401338 1070895737 /nfs/dbraw/zinc/89/57/37/1070895737.db2.gz DCDAQCONHWPZGD-NWDGAFQWSA-N 1 0 401.261 -0.231 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592401340 1070895488 /nfs/dbraw/zinc/89/54/88/1070895488.db2.gz DCDAQCONHWPZGD-RYUDHWBXSA-N 1 0 401.261 -0.231 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592401342 1070895909 /nfs/dbraw/zinc/89/59/09/1070895909.db2.gz DCDAQCONHWPZGD-VXGBXAGGSA-N 1 0 401.261 -0.231 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592407582 1070895940 /nfs/dbraw/zinc/89/59/40/1070895940.db2.gz LMRHJMZZKJPSRA-DZGCQCFKSA-N 1 0 424.479 -0.701 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592407585 1070895694 /nfs/dbraw/zinc/89/56/94/1070895694.db2.gz LMRHJMZZKJPSRA-HIFRSBDPSA-N 1 0 424.479 -0.701 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592407587 1070895527 /nfs/dbraw/zinc/89/55/27/1070895527.db2.gz LMRHJMZZKJPSRA-UKRRQHHQSA-N 1 0 424.479 -0.701 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592407588 1070895970 /nfs/dbraw/zinc/89/59/70/1070895970.db2.gz LMRHJMZZKJPSRA-ZFWWWQNUSA-N 1 0 424.479 -0.701 20 0 HBADRO Cn1ncc2c1ncn(CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c2=O ZINC000592430962 1070897956 /nfs/dbraw/zinc/89/79/56/1070897956.db2.gz JKVKDWMEIVBFHJ-UHFFFAOYSA-N 1 0 411.466 -0.262 20 0 HBADRO CCN1CCN(CC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C(=O)C1=O ZINC000592431723 1070898147 /nfs/dbraw/zinc/89/81/47/1070898147.db2.gz JJZPFJLAMJDSTE-UHFFFAOYSA-N 1 0 403.483 -0.715 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000592557836 1070899244 /nfs/dbraw/zinc/89/92/44/1070899244.db2.gz MBNKINTUMZIYST-INIZCTEOSA-N 1 0 424.571 -0.199 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000592557845 1070899485 /nfs/dbraw/zinc/89/94/85/1070899485.db2.gz MBNKINTUMZIYST-MRXNPFEDSA-N 1 0 424.571 -0.199 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000592791720 1070900238 /nfs/dbraw/zinc/90/02/38/1070900238.db2.gz UOVXACXTSLWUJQ-AWEZNQCLSA-N 1 0 400.501 -0.334 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000592791722 1070900297 /nfs/dbraw/zinc/90/02/97/1070900297.db2.gz UOVXACXTSLWUJQ-CQSZACIVSA-N 1 0 400.501 -0.334 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000592791853 1070900412 /nfs/dbraw/zinc/90/04/12/1070900412.db2.gz VCJHKWGRHXJEPQ-HNNXBMFYSA-N 1 0 423.539 -0.827 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000592791854 1070900442 /nfs/dbraw/zinc/90/04/42/1070900442.db2.gz VCJHKWGRHXJEPQ-OAHLLOKOSA-N 1 0 423.539 -0.827 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000592793771 1070900212 /nfs/dbraw/zinc/90/02/12/1070900212.db2.gz JQXMSCWIGRMXHY-HNNXBMFYSA-N 1 0 413.544 -0.588 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000592793776 1070900090 /nfs/dbraw/zinc/90/00/90/1070900090.db2.gz JQXMSCWIGRMXHY-OAHLLOKOSA-N 1 0 413.544 -0.588 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000592818749 1070901171 /nfs/dbraw/zinc/90/11/71/1070901171.db2.gz GRTCNBNBJVYZMY-UHFFFAOYSA-N 1 0 404.558 -0.099 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000592822436 1070900889 /nfs/dbraw/zinc/90/08/89/1070900889.db2.gz LAEXXQWFZIBISF-AWEZNQCLSA-N 1 0 404.558 -0.149 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000592822437 1070901197 /nfs/dbraw/zinc/90/11/97/1070901197.db2.gz LAEXXQWFZIBISF-CQSZACIVSA-N 1 0 404.558 -0.149 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592884410 1070901151 /nfs/dbraw/zinc/90/11/51/1070901151.db2.gz MMAYZOKPMQEPHE-GOSISDBHSA-N 1 0 409.575 -0.349 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592884412 1070901034 /nfs/dbraw/zinc/90/10/34/1070901034.db2.gz MMAYZOKPMQEPHE-SFHVURJKSA-N 1 0 409.575 -0.349 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000592884538 1070901237 /nfs/dbraw/zinc/90/12/37/1070901237.db2.gz QUVRRHQIZOBKGI-MOPGFXCFSA-N 1 0 409.575 -0.443 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000592884541 1070901124 /nfs/dbraw/zinc/90/11/24/1070901124.db2.gz QUVRRHQIZOBKGI-OALUTQOASA-N 1 0 409.575 -0.443 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000592884544 1070900953 /nfs/dbraw/zinc/90/09/53/1070900953.db2.gz QUVRRHQIZOBKGI-RBUKOAKNSA-N 1 0 409.575 -0.443 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000592884547 1070900844 /nfs/dbraw/zinc/90/08/44/1070900844.db2.gz QUVRRHQIZOBKGI-RTBURBONSA-N 1 0 409.575 -0.443 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000592884811 1070901210 /nfs/dbraw/zinc/90/12/10/1070901210.db2.gz FQFSMNYZLDSJEA-IBGZPJMESA-N 1 0 407.559 -0.593 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000592884814 1070901083 /nfs/dbraw/zinc/90/10/83/1070901083.db2.gz FQFSMNYZLDSJEA-LJQANCHMSA-N 1 0 407.559 -0.593 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000592959681 1070902621 /nfs/dbraw/zinc/90/26/21/1070902621.db2.gz LXIPOAYTRJHQNI-HNNXBMFYSA-N 1 0 401.467 -0.027 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000592959682 1070902733 /nfs/dbraw/zinc/90/27/33/1070902733.db2.gz LXIPOAYTRJHQNI-OAHLLOKOSA-N 1 0 401.467 -0.027 20 0 HBADRO Cn1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000593270670 1070910480 /nfs/dbraw/zinc/91/04/80/1070910480.db2.gz PWUQXFMGUJXVAX-HNNXBMFYSA-N 1 0 416.526 -0.182 20 0 HBADRO Cn1c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000593270671 1070910402 /nfs/dbraw/zinc/91/04/02/1070910402.db2.gz PWUQXFMGUJXVAX-OAHLLOKOSA-N 1 0 416.526 -0.182 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000593513794 1070911925 /nfs/dbraw/zinc/91/19/25/1070911925.db2.gz GYPGZXVMUVFNAY-UHFFFAOYSA-N 1 0 407.606 -0.310 20 0 HBADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000593524170 1070912079 /nfs/dbraw/zinc/91/20/79/1070912079.db2.gz NAEZERLMRKKVDN-UHFFFAOYSA-N 1 0 412.560 -0.268 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000593534765 1070912526 /nfs/dbraw/zinc/91/25/26/1070912526.db2.gz LLOYRGHMEPCOKK-CABCVRRESA-N 1 0 406.574 -0.394 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000593534766 1070912406 /nfs/dbraw/zinc/91/24/06/1070912406.db2.gz LLOYRGHMEPCOKK-GJZGRUSLSA-N 1 0 406.574 -0.394 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000593534767 1070912728 /nfs/dbraw/zinc/91/27/28/1070912728.db2.gz LLOYRGHMEPCOKK-HUUCEWRRSA-N 1 0 406.574 -0.394 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000593534768 1070912611 /nfs/dbraw/zinc/91/26/11/1070912611.db2.gz LLOYRGHMEPCOKK-LSDHHAIUSA-N 1 0 406.574 -0.394 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000593893489 1070919948 /nfs/dbraw/zinc/91/99/48/1070919948.db2.gz MCMXPDDAAYODRD-KRWDZBQOSA-N 1 0 424.523 -0.223 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000593893491 1070920025 /nfs/dbraw/zinc/92/00/25/1070920025.db2.gz MCMXPDDAAYODRD-QGZVFWFLSA-N 1 0 424.523 -0.223 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000593893599 1070919784 /nfs/dbraw/zinc/91/97/84/1070919784.db2.gz VRTKILUUNZVEFC-GOSISDBHSA-N 1 0 422.551 -0.013 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000593893601 1070920096 /nfs/dbraw/zinc/92/00/96/1070920096.db2.gz VRTKILUUNZVEFC-SFHVURJKSA-N 1 0 422.551 -0.013 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000593896860 1070920812 /nfs/dbraw/zinc/92/08/12/1070920812.db2.gz PNUCQYLCMROUEE-INIZCTEOSA-N 1 0 412.512 -0.319 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000593896861 1070920620 /nfs/dbraw/zinc/92/06/20/1070920620.db2.gz PNUCQYLCMROUEE-MRXNPFEDSA-N 1 0 412.512 -0.319 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000593897564 1070920786 /nfs/dbraw/zinc/92/07/86/1070920786.db2.gz COHLWZAPLIGUCJ-HNNXBMFYSA-N 1 0 413.500 -0.895 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000593897568 1070920880 /nfs/dbraw/zinc/92/08/80/1070920880.db2.gz COHLWZAPLIGUCJ-OAHLLOKOSA-N 1 0 413.500 -0.895 20 0 HBADRO COCCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000593900542 1070920729 /nfs/dbraw/zinc/92/07/29/1070920729.db2.gz UCZCIKOVUNSALI-INIZCTEOSA-N 1 0 412.512 -0.319 20 0 HBADRO COCCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000593900546 1070920670 /nfs/dbraw/zinc/92/06/70/1070920670.db2.gz UCZCIKOVUNSALI-MRXNPFEDSA-N 1 0 412.512 -0.319 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000593915567 1070922344 /nfs/dbraw/zinc/92/23/44/1070922344.db2.gz XPYVLNLHFUTACC-AWEZNQCLSA-N 1 0 400.501 -0.504 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000593915568 1070921998 /nfs/dbraw/zinc/92/19/98/1070921998.db2.gz XPYVLNLHFUTACC-CQSZACIVSA-N 1 0 400.501 -0.504 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000594006693 1070926672 /nfs/dbraw/zinc/92/66/72/1070926672.db2.gz STSPHPQUAFVSHS-UHFFFAOYSA-N 1 0 414.470 -0.074 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000594022763 1070925850 /nfs/dbraw/zinc/92/58/50/1070925850.db2.gz AVFANGIQPIJKLR-UHFFFAOYSA-N 1 0 414.470 -0.074 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000594077328 1070929119 /nfs/dbraw/zinc/92/91/19/1070929119.db2.gz RFOPVOBRJIVGIY-AWEZNQCLSA-N 1 0 408.503 -0.120 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000594077329 1070928579 /nfs/dbraw/zinc/92/85/79/1070928579.db2.gz RFOPVOBRJIVGIY-CQSZACIVSA-N 1 0 408.503 -0.120 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594088437 1070928930 /nfs/dbraw/zinc/92/89/30/1070928930.db2.gz CRBOLQSVKZPTIX-HNNXBMFYSA-N 1 0 403.549 -0.170 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594088454 1070928825 /nfs/dbraw/zinc/92/88/25/1070928825.db2.gz CRBOLQSVKZPTIX-OAHLLOKOSA-N 1 0 403.549 -0.170 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000594103588 1070929040 /nfs/dbraw/zinc/92/90/40/1070929040.db2.gz AHWYIPOZEOAWGX-UHFFFAOYSA-N 1 0 410.563 -0.216 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000594114561 1070929071 /nfs/dbraw/zinc/92/90/71/1070929071.db2.gz UXKQLVYYLNQABA-UHFFFAOYSA-N 1 0 419.592 -0.248 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000594118951 1070928867 /nfs/dbraw/zinc/92/88/67/1070928867.db2.gz MVOLBHFJQQEJLA-CYBMUJFWSA-N 1 0 407.562 -0.996 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000594118954 1070929663 /nfs/dbraw/zinc/92/96/63/1070929663.db2.gz MVOLBHFJQQEJLA-ZDUSSCGKSA-N 1 0 407.562 -0.996 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000594125428 1070929869 /nfs/dbraw/zinc/92/98/69/1070929869.db2.gz LFMLQVYBRQACID-UHFFFAOYSA-N 1 0 422.574 -0.075 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000594125600 1070929752 /nfs/dbraw/zinc/92/97/52/1070929752.db2.gz JSMLIPUAESMQBK-UHFFFAOYSA-N 1 0 422.530 -0.983 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000594132588 1070930088 /nfs/dbraw/zinc/93/00/88/1070930088.db2.gz AEXCPHOQQGLIFK-CALCHBBNSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000594132590 1070929802 /nfs/dbraw/zinc/92/98/02/1070929802.db2.gz AEXCPHOQQGLIFK-IAGOWNOFSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000594132591 1070930125 /nfs/dbraw/zinc/93/01/25/1070930125.db2.gz AEXCPHOQQGLIFK-IRXDYDNUSA-N 1 0 409.531 -0.038 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000594133138 1070930019 /nfs/dbraw/zinc/93/00/19/1070930019.db2.gz LAGUREPIZLUMKH-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000594146214 1070930053 /nfs/dbraw/zinc/93/00/53/1070930053.db2.gz VTXDRIJQVNSTLQ-INIZCTEOSA-N 1 0 411.528 -0.255 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000594146215 1070929834 /nfs/dbraw/zinc/92/98/34/1070929834.db2.gz VTXDRIJQVNSTLQ-MRXNPFEDSA-N 1 0 411.528 -0.255 20 0 HBADRO CNS(=O)(=O)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000594146254 1070929700 /nfs/dbraw/zinc/92/97/00/1070929700.db2.gz YAGWIUBHSHRYFZ-GFCCVEGCSA-N 1 0 403.530 -0.205 20 0 HBADRO CNS(=O)(=O)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000594146255 1070929938 /nfs/dbraw/zinc/92/99/38/1070929938.db2.gz YAGWIUBHSHRYFZ-LBPRGKRZSA-N 1 0 403.530 -0.205 20 0 HBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000594183100 1070930926 /nfs/dbraw/zinc/93/09/26/1070930926.db2.gz KKZGVBMTXDGSPZ-CVEARBPZSA-N 1 0 400.487 -0.269 20 0 HBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000594183102 1070930486 /nfs/dbraw/zinc/93/04/86/1070930486.db2.gz KKZGVBMTXDGSPZ-HOTGVXAUSA-N 1 0 400.487 -0.269 20 0 HBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000594183103 1070930774 /nfs/dbraw/zinc/93/07/74/1070930774.db2.gz KKZGVBMTXDGSPZ-HZPDHXFCSA-N 1 0 400.487 -0.269 20 0 HBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000594183104 1070930664 /nfs/dbraw/zinc/93/06/64/1070930664.db2.gz KKZGVBMTXDGSPZ-JKSUJKDBSA-N 1 0 400.487 -0.269 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000594194288 1070930609 /nfs/dbraw/zinc/93/06/09/1070930609.db2.gz VOTIPSKPDSINPU-MSOLQXFVSA-N 1 0 421.542 -0.484 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000594194289 1070930875 /nfs/dbraw/zinc/93/08/75/1070930875.db2.gz VOTIPSKPDSINPU-QZTJIDSGSA-N 1 0 421.542 -0.484 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000594194290 1070930907 /nfs/dbraw/zinc/93/09/07/1070930907.db2.gz VOTIPSKPDSINPU-ROUUACIJSA-N 1 0 421.542 -0.484 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000594194291 1070931255 /nfs/dbraw/zinc/93/12/55/1070931255.db2.gz VOTIPSKPDSINPU-ZWKOTPCHSA-N 1 0 421.542 -0.484 20 0 HBADRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000594205306 1070930744 /nfs/dbraw/zinc/93/07/44/1070930744.db2.gz NYCFVWQDVQIUPP-IBGZPJMESA-N 1 0 407.559 -0.450 20 0 HBADRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000594205307 1070930457 /nfs/dbraw/zinc/93/04/57/1070930457.db2.gz NYCFVWQDVQIUPP-LJQANCHMSA-N 1 0 407.559 -0.450 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000594313460 1069211954 /nfs/dbraw/zinc/21/19/54/1069211954.db2.gz JHLCSFRPINQZFP-UHFFFAOYSA-N 1 0 408.507 -0.584 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000594343018 1070934771 /nfs/dbraw/zinc/93/47/71/1070934771.db2.gz AWHBAPIGJNAVTB-UHFFFAOYSA-N 1 0 403.483 -0.116 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000594362307 1070933895 /nfs/dbraw/zinc/93/38/95/1070933895.db2.gz XCBYABQLVYCMLY-INIZCTEOSA-N 1 0 401.467 -0.073 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000594362309 1070933991 /nfs/dbraw/zinc/93/39/91/1070933991.db2.gz XCBYABQLVYCMLY-MRXNPFEDSA-N 1 0 401.467 -0.073 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000594874054 1070938911 /nfs/dbraw/zinc/93/89/11/1070938911.db2.gz AYXWHDWTVGBMES-CABCVRRESA-N 1 0 409.512 -0.572 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(C)C ZINC000594874060 1070939006 /nfs/dbraw/zinc/93/90/06/1070939006.db2.gz AYXWHDWTVGBMES-GJZGRUSLSA-N 1 0 409.512 -0.572 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000594874061 1070938966 /nfs/dbraw/zinc/93/89/66/1070938966.db2.gz AYXWHDWTVGBMES-HUUCEWRRSA-N 1 0 409.512 -0.572 20 0 HBADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(C)C ZINC000594874062 1070938802 /nfs/dbraw/zinc/93/88/02/1070938802.db2.gz AYXWHDWTVGBMES-LSDHHAIUSA-N 1 0 409.512 -0.572 20 0 HBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000594874573 1070939583 /nfs/dbraw/zinc/93/95/83/1070939583.db2.gz CJPZMGPFLLGANU-AAEUAGOBSA-N 1 0 411.436 -0.808 20 0 HBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000594874574 1070939605 /nfs/dbraw/zinc/93/96/05/1070939605.db2.gz CJPZMGPFLLGANU-DGCLKSJQSA-N 1 0 411.436 -0.808 20 0 HBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000594874575 1070940708 /nfs/dbraw/zinc/94/07/08/1070940708.db2.gz CJPZMGPFLLGANU-WCQYABFASA-N 1 0 411.436 -0.808 20 0 HBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000594874576 1070940650 /nfs/dbraw/zinc/94/06/50/1070940650.db2.gz CJPZMGPFLLGANU-YPMHNXCESA-N 1 0 411.436 -0.808 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000594874601 1070939739 /nfs/dbraw/zinc/93/97/39/1070939739.db2.gz IEEXXGACCDONKF-GDBMZVCRSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000594874602 1070939679 /nfs/dbraw/zinc/93/96/79/1070939679.db2.gz IEEXXGACCDONKF-GOEBONIOSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000594874603 1070939449 /nfs/dbraw/zinc/93/94/49/1070939449.db2.gz IEEXXGACCDONKF-HOCLYGCPSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000594874604 1070939430 /nfs/dbraw/zinc/93/94/30/1070939430.db2.gz IEEXXGACCDONKF-ZBFHGGJFSA-N 1 0 408.480 -0.909 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)CCN2C1=O ZINC000594874685 1070939710 /nfs/dbraw/zinc/93/97/10/1070939710.db2.gz OUWGDQUKSAURIF-AAEUAGOBSA-N 1 0 420.413 -0.089 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)CCN2C1=O ZINC000594874686 1070939782 /nfs/dbraw/zinc/93/97/82/1070939782.db2.gz OUWGDQUKSAURIF-DGCLKSJQSA-N 1 0 420.413 -0.089 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)CCN2C1=O ZINC000594874687 1070939557 /nfs/dbraw/zinc/93/95/57/1070939557.db2.gz OUWGDQUKSAURIF-WCQYABFASA-N 1 0 420.413 -0.089 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)CCN2C1=O ZINC000594874688 1070939661 /nfs/dbraw/zinc/93/96/61/1070939661.db2.gz OUWGDQUKSAURIF-YPMHNXCESA-N 1 0 420.413 -0.089 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875005 1070939470 /nfs/dbraw/zinc/93/94/70/1070939470.db2.gz GXLWKEYEQLPGLC-JKOKRWQUSA-N 1 0 400.888 -0.223 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875006 1070939644 /nfs/dbraw/zinc/93/96/44/1070939644.db2.gz GXLWKEYEQLPGLC-SUHUHFCYSA-N 1 0 400.888 -0.223 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875007 1070939726 /nfs/dbraw/zinc/93/97/26/1070939726.db2.gz GXLWKEYEQLPGLC-VHRBIJSZSA-N 1 0 400.888 -0.223 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875008 1070939412 /nfs/dbraw/zinc/93/94/12/1070939412.db2.gz GXLWKEYEQLPGLC-ZKYQVNSYSA-N 1 0 400.888 -0.223 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875037 1070939495 /nfs/dbraw/zinc/93/94/95/1070939495.db2.gz LNLBPBAVIMXVRU-JLJPHGGASA-N 1 0 423.539 -0.056 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875038 1070939757 /nfs/dbraw/zinc/93/97/57/1070939757.db2.gz LNLBPBAVIMXVRU-LXZKKBNFSA-N 1 0 423.539 -0.056 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875039 1070939534 /nfs/dbraw/zinc/93/95/34/1070939534.db2.gz LNLBPBAVIMXVRU-QRTARXTBSA-N 1 0 423.539 -0.056 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875040 1070939520 /nfs/dbraw/zinc/93/95/20/1070939520.db2.gz LNLBPBAVIMXVRU-YSVLISHTSA-N 1 0 423.539 -0.056 20 0 HBADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875285 1070938745 /nfs/dbraw/zinc/93/87/45/1070938745.db2.gz KIIUVHSQAUIPKB-BNOWGMLFSA-N 1 0 403.439 -0.262 20 0 HBADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875286 1070938855 /nfs/dbraw/zinc/93/88/55/1070938855.db2.gz KIIUVHSQAUIPKB-KWCYVHTRSA-N 1 0 403.439 -0.262 20 0 HBADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875287 1070939695 /nfs/dbraw/zinc/93/96/95/1070939695.db2.gz KIIUVHSQAUIPKB-MRVWCRGKSA-N 1 0 403.439 -0.262 20 0 HBADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875288 1070939628 /nfs/dbraw/zinc/93/96/28/1070939628.db2.gz KIIUVHSQAUIPKB-XBFCOCLRSA-N 1 0 403.439 -0.262 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875680 1070941124 /nfs/dbraw/zinc/94/11/24/1070941124.db2.gz MGEPYPMAWSIPBS-HZUKXOBISA-N 1 0 423.495 -0.918 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875683 1070941169 /nfs/dbraw/zinc/94/11/69/1070941169.db2.gz MGEPYPMAWSIPBS-PEYYIBSZSA-N 1 0 423.495 -0.918 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875684 1070941308 /nfs/dbraw/zinc/94/13/08/1070941308.db2.gz MGEPYPMAWSIPBS-PJODQICGSA-N 1 0 423.495 -0.918 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875686 1070941336 /nfs/dbraw/zinc/94/13/36/1070941336.db2.gz MGEPYPMAWSIPBS-SGIREYDYSA-N 1 0 423.495 -0.918 20 0 HBADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875776 1070941385 /nfs/dbraw/zinc/94/13/85/1070941385.db2.gz YTVIYIMOECOZII-CHWSQXEVSA-N 1 0 421.928 -0.183 20 0 HBADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875792 1070941360 /nfs/dbraw/zinc/94/13/60/1070941360.db2.gz YTVIYIMOECOZII-OLZOCXBDSA-N 1 0 421.928 -0.183 20 0 HBADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875795 1070941431 /nfs/dbraw/zinc/94/14/31/1070941431.db2.gz YTVIYIMOECOZII-QWHCGFSZSA-N 1 0 421.928 -0.183 20 0 HBADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875797 1070941225 /nfs/dbraw/zinc/94/12/25/1070941225.db2.gz YTVIYIMOECOZII-STQMWFEESA-N 1 0 421.928 -0.183 20 0 HBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2CC1 ZINC000594875929 1070940500 /nfs/dbraw/zinc/94/05/00/1070940500.db2.gz QXQKWRAJXHAJBB-AEFFLSMTSA-N 1 0 406.508 -0.434 20 0 HBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2CC1 ZINC000594875930 1070940543 /nfs/dbraw/zinc/94/05/43/1070940543.db2.gz QXQKWRAJXHAJBB-FUHWJXTLSA-N 1 0 406.508 -0.434 20 0 HBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2CC1 ZINC000594875931 1070940667 /nfs/dbraw/zinc/94/06/67/1070940667.db2.gz QXQKWRAJXHAJBB-SJLPKXTDSA-N 1 0 406.508 -0.434 20 0 HBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2CC1 ZINC000594875932 1070940582 /nfs/dbraw/zinc/94/05/82/1070940582.db2.gz QXQKWRAJXHAJBB-WMZOPIPTSA-N 1 0 406.508 -0.434 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)C(=O)NCCC2 ZINC000594875985 1070940400 /nfs/dbraw/zinc/94/04/00/1070940400.db2.gz XGJMFGALGZKOJR-GXTWGEPZSA-N 1 0 408.480 -0.696 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)C(=O)NCCC2 ZINC000594875986 1070940287 /nfs/dbraw/zinc/94/02/87/1070940287.db2.gz XGJMFGALGZKOJR-JSGCOSHPSA-N 1 0 408.480 -0.696 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)C(=O)NCCC2 ZINC000594875987 1070940633 /nfs/dbraw/zinc/94/06/33/1070940633.db2.gz XGJMFGALGZKOJR-OCCSQVGLSA-N 1 0 408.480 -0.696 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)C(=O)NCCC2 ZINC000594875988 1070940419 /nfs/dbraw/zinc/94/04/19/1070940419.db2.gz XGJMFGALGZKOJR-TZMCWYRMSA-N 1 0 408.480 -0.696 20 0 HBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000594876049 1070940521 /nfs/dbraw/zinc/94/05/21/1070940521.db2.gz AWAGIMHXRWCJDV-AAEUAGOBSA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000594876050 1070940448 /nfs/dbraw/zinc/94/04/48/1070940448.db2.gz AWAGIMHXRWCJDV-DGCLKSJQSA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000594876051 1070941411 /nfs/dbraw/zinc/94/14/11/1070941411.db2.gz AWAGIMHXRWCJDV-WCQYABFASA-N 1 0 420.413 -0.246 20 0 HBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000594876052 1070941507 /nfs/dbraw/zinc/94/15/07/1070941507.db2.gz AWAGIMHXRWCJDV-YPMHNXCESA-N 1 0 420.413 -0.246 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000594876077 1070940695 /nfs/dbraw/zinc/94/06/95/1070940695.db2.gz BZQDMLSZEUYLRT-COXVUDFISA-N 1 0 424.523 -0.232 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000594876078 1070940343 /nfs/dbraw/zinc/94/03/43/1070940343.db2.gz BZQDMLSZEUYLRT-JQFCIGGWSA-N 1 0 424.523 -0.232 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000594876079 1070940565 /nfs/dbraw/zinc/94/05/65/1070940565.db2.gz BZQDMLSZEUYLRT-XKQJLSEDSA-N 1 0 424.523 -0.232 20 0 HBADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000594876080 1070940682 /nfs/dbraw/zinc/94/06/82/1070940682.db2.gz BZQDMLSZEUYLRT-XYPHTWIQSA-N 1 0 424.523 -0.232 20 0 HBADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876425 1070940475 /nfs/dbraw/zinc/94/04/75/1070940475.db2.gz YVFSOKOFROMFIR-BJJXKVORSA-N 1 0 412.487 -0.101 20 0 HBADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594876426 1070940311 /nfs/dbraw/zinc/94/03/11/1070940311.db2.gz YVFSOKOFROMFIR-INWMFGNUSA-N 1 0 412.487 -0.101 20 0 HBADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594876427 1070940604 /nfs/dbraw/zinc/94/06/04/1070940604.db2.gz YVFSOKOFROMFIR-NOLJZWGESA-N 1 0 412.487 -0.101 20 0 HBADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594876428 1070940373 /nfs/dbraw/zinc/94/03/73/1070940373.db2.gz YVFSOKOFROMFIR-XPKDYRNWSA-N 1 0 412.487 -0.101 20 0 HBADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876910 1070941471 /nfs/dbraw/zinc/94/14/71/1070941471.db2.gz IBWWJLMRUJIAKS-GDBMZVCRSA-N 1 0 410.496 -0.014 20 0 HBADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876911 1070941093 /nfs/dbraw/zinc/94/10/93/1070941093.db2.gz IBWWJLMRUJIAKS-GOEBONIOSA-N 1 0 410.496 -0.014 20 0 HBADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876912 1070941193 /nfs/dbraw/zinc/94/11/93/1070941193.db2.gz IBWWJLMRUJIAKS-HOCLYGCPSA-N 1 0 410.496 -0.014 20 0 HBADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876913 1070941544 /nfs/dbraw/zinc/94/15/44/1070941544.db2.gz IBWWJLMRUJIAKS-ZBFHGGJFSA-N 1 0 410.496 -0.014 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000594877010 1070941524 /nfs/dbraw/zinc/94/15/24/1070941524.db2.gz CRSKHXGKMFFUBS-BBRMVZONSA-N 1 0 410.496 -0.696 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000594877011 1070941146 /nfs/dbraw/zinc/94/11/46/1070941146.db2.gz CRSKHXGKMFFUBS-CJNGLKHVSA-N 1 0 410.496 -0.696 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000594877012 1070941063 /nfs/dbraw/zinc/94/10/63/1070941063.db2.gz CRSKHXGKMFFUBS-CZUORRHYSA-N 1 0 410.496 -0.696 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000594877013 1070941452 /nfs/dbraw/zinc/94/14/52/1070941452.db2.gz CRSKHXGKMFFUBS-XJKSGUPXSA-N 1 0 410.496 -0.696 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)CCN2C1=O ZINC000594877576 1070941488 /nfs/dbraw/zinc/94/14/88/1070941488.db2.gz YLZPULSVAVHNGQ-CKEIUWERSA-N 1 0 412.446 -0.154 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)CCN2C1=O ZINC000594877577 1070941271 /nfs/dbraw/zinc/94/12/71/1070941271.db2.gz YLZPULSVAVHNGQ-GRDNDAEWSA-N 1 0 412.446 -0.154 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)CCN2C1=O ZINC000594877578 1070942310 /nfs/dbraw/zinc/94/23/10/1070942310.db2.gz YLZPULSVAVHNGQ-JJRVBVJISA-N 1 0 412.446 -0.154 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)CCN2C1=O ZINC000594877579 1070942025 /nfs/dbraw/zinc/94/20/25/1070942025.db2.gz YLZPULSVAVHNGQ-JKIFEVAISA-N 1 0 412.446 -0.154 20 0 HBADRO Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000594878149 1070942328 /nfs/dbraw/zinc/94/23/28/1070942328.db2.gz QDRJMHUOOKHJSG-CVEARBPZSA-N 1 0 408.524 -0.031 20 0 HBADRO Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000594878150 1070942349 /nfs/dbraw/zinc/94/23/49/1070942349.db2.gz QDRJMHUOOKHJSG-HOTGVXAUSA-N 1 0 408.524 -0.031 20 0 HBADRO Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000594878151 1070941912 /nfs/dbraw/zinc/94/19/12/1070941912.db2.gz QDRJMHUOOKHJSG-HZPDHXFCSA-N 1 0 408.524 -0.031 20 0 HBADRO Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000594878152 1070942085 /nfs/dbraw/zinc/94/20/85/1070942085.db2.gz QDRJMHUOOKHJSG-JKSUJKDBSA-N 1 0 408.524 -0.031 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC(=O)N2C2CC2)cnn1C ZINC000594879723 1070942142 /nfs/dbraw/zinc/94/21/42/1070942142.db2.gz OCEGJNNIGLWXBP-DNUAJFIVSA-N 1 0 400.483 -0.449 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC(=O)N2C2CC2)cnn1C ZINC000594879724 1070942190 /nfs/dbraw/zinc/94/21/90/1070942190.db2.gz OCEGJNNIGLWXBP-KKBFJZEXSA-N 1 0 400.483 -0.449 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC(=O)N2C2CC2)cnn1C ZINC000594879725 1070942366 /nfs/dbraw/zinc/94/23/66/1070942366.db2.gz OCEGJNNIGLWXBP-KMCQBPLKSA-N 1 0 400.483 -0.449 20 0 HBADRO Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC(=O)N2C2CC2)cnn1C ZINC000594879726 1070942285 /nfs/dbraw/zinc/94/22/85/1070942285.db2.gz OCEGJNNIGLWXBP-OAOQPFQOSA-N 1 0 400.483 -0.449 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000594881749 1070942238 /nfs/dbraw/zinc/94/22/38/1070942238.db2.gz IAHAGAZVVGATOZ-FGTMMUONSA-N 1 0 420.535 -0.001 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000594881753 1070942392 /nfs/dbraw/zinc/94/23/92/1070942392.db2.gz IAHAGAZVVGATOZ-KZNAEPCWSA-N 1 0 420.535 -0.001 20 0 HBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000594881755 1070942113 /nfs/dbraw/zinc/94/21/13/1070942113.db2.gz IAHAGAZVVGATOZ-OKZBNKHCSA-N 1 0 420.535 -0.001 20 0 HBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000594881756 1070941985 /nfs/dbraw/zinc/94/19/85/1070941985.db2.gz IAHAGAZVVGATOZ-RCCFBDPRSA-N 1 0 420.535 -0.001 20 0 HBADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594882265 1070942063 /nfs/dbraw/zinc/94/20/63/1070942063.db2.gz PAWUUOVQORQGNN-GXTWGEPZSA-N 1 0 411.480 -0.362 20 0 HBADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594882271 1070942215 /nfs/dbraw/zinc/94/22/15/1070942215.db2.gz PAWUUOVQORQGNN-JSGCOSHPSA-N 1 0 411.480 -0.362 20 0 HBADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000594882273 1070942261 /nfs/dbraw/zinc/94/22/61/1070942261.db2.gz PAWUUOVQORQGNN-OCCSQVGLSA-N 1 0 411.480 -0.362 20 0 HBADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000594882275 1070942042 /nfs/dbraw/zinc/94/20/42/1070942042.db2.gz PAWUUOVQORQGNN-TZMCWYRMSA-N 1 0 411.480 -0.362 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000594997760 1070944453 /nfs/dbraw/zinc/94/44/53/1070944453.db2.gz AJXRQYDPMMNFLY-DLBZAZTESA-N 1 0 403.483 -0.220 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)c2)C1 ZINC000594997765 1070944394 /nfs/dbraw/zinc/94/43/94/1070944394.db2.gz AJXRQYDPMMNFLY-IAGOWNOFSA-N 1 0 403.483 -0.220 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)c2)C1 ZINC000594997766 1070944301 /nfs/dbraw/zinc/94/43/01/1070944301.db2.gz AJXRQYDPMMNFLY-IRXDYDNUSA-N 1 0 403.483 -0.220 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)c2)C1 ZINC000594997767 1070944512 /nfs/dbraw/zinc/94/45/12/1070944512.db2.gz AJXRQYDPMMNFLY-SJORKVTESA-N 1 0 403.483 -0.220 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cnc2n(C)c1=O ZINC000595115069 1070946127 /nfs/dbraw/zinc/94/61/27/1070946127.db2.gz NSJZDFXFWZMRRO-GFCCVEGCSA-N 1 0 400.439 -0.829 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cnc2n(C)c1=O ZINC000595115070 1070946173 /nfs/dbraw/zinc/94/61/73/1070946173.db2.gz NSJZDFXFWZMRRO-LBPRGKRZSA-N 1 0 400.439 -0.829 20 0 HBADRO CCN(C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1)S(C)(=O)=O ZINC000596294330 1070958012 /nfs/dbraw/zinc/95/80/12/1070958012.db2.gz CKSGXURJQAVDMZ-HNNXBMFYSA-N 1 0 403.549 -0.218 20 0 HBADRO CCN(C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1)S(C)(=O)=O ZINC000596294342 1070957795 /nfs/dbraw/zinc/95/77/95/1070957795.db2.gz CKSGXURJQAVDMZ-OAHLLOKOSA-N 1 0 403.549 -0.218 20 0 HBADRO C[NH+]1CCN(C[C@H]2CN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CCO2)CC1 ZINC000596589320 1070959686 /nfs/dbraw/zinc/95/96/86/1070959686.db2.gz GPFBDYJTGNHUQD-PMACEKPBSA-N 1 0 416.522 -0.111 20 0 HBADRO C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CCO2)CC1 ZINC000596589321 1070959460 /nfs/dbraw/zinc/95/94/60/1070959460.db2.gz GPFBDYJTGNHUQD-UXHICEINSA-N 1 0 416.522 -0.111 20 0 HBADRO C[NH+]1CCN(C[C@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCO2)CC1 ZINC000596589322 1070959255 /nfs/dbraw/zinc/95/92/55/1070959255.db2.gz GPFBDYJTGNHUQD-VQTJNVASSA-N 1 0 416.522 -0.111 20 0 HBADRO C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCO2)CC1 ZINC000596589323 1070959612 /nfs/dbraw/zinc/95/96/12/1070959612.db2.gz GPFBDYJTGNHUQD-WOJBJXKFSA-N 1 0 416.522 -0.111 20 0 HBADRO COCCN(C(=O)CN1CC[N@H+](C)C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000596604781 1070959524 /nfs/dbraw/zinc/95/95/24/1070959524.db2.gz YQBPOLREFUXWMV-AWEZNQCLSA-N 1 0 410.519 -0.198 20 0 HBADRO COCCN(C(=O)CN1CC[N@H+](C)C[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000596604782 1070959338 /nfs/dbraw/zinc/95/93/38/1070959338.db2.gz YQBPOLREFUXWMV-CQSZACIVSA-N 1 0 410.519 -0.198 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000597031529 1070963748 /nfs/dbraw/zinc/96/37/48/1070963748.db2.gz HYKRKARLABJBQU-UHFFFAOYSA-N 1 0 418.498 -0.752 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000597215884 1070966086 /nfs/dbraw/zinc/96/60/86/1070966086.db2.gz MCOKVTUMJMCFPV-UHFFFAOYSA-N 1 0 403.549 -0.346 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000597216509 1070966002 /nfs/dbraw/zinc/96/60/02/1070966002.db2.gz KIXJUAMZSJVORO-UHFFFAOYSA-N 1 0 405.565 -0.054 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000597227123 1070966096 /nfs/dbraw/zinc/96/60/96/1070966096.db2.gz AXEKYRLTVDOAOP-UHFFFAOYSA-N 1 0 403.549 -0.394 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000597227134 1070966054 /nfs/dbraw/zinc/96/60/54/1070966054.db2.gz BRRVKIXJBYKORM-UHFFFAOYSA-N 1 0 422.530 -0.939 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000597227261 1070966050 /nfs/dbraw/zinc/96/60/50/1070966050.db2.gz JMKUHDHBLMUUFQ-UHFFFAOYSA-N 1 0 418.564 -0.937 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000597227493 1070966065 /nfs/dbraw/zinc/96/60/65/1070966065.db2.gz RCVXITZMHLYPAL-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000597227494 1070966071 /nfs/dbraw/zinc/96/60/71/1070966071.db2.gz RCVXITZMHLYPAL-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000597227561 1070965986 /nfs/dbraw/zinc/96/59/86/1070965986.db2.gz VNACYUDKEWQMNK-UHFFFAOYSA-N 1 0 422.574 -0.121 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000597444724 1070967319 /nfs/dbraw/zinc/96/73/19/1070967319.db2.gz UOZZWICLLDPHAP-UHFFFAOYSA-N 1 0 410.563 -0.219 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000597444734 1070967349 /nfs/dbraw/zinc/96/73/49/1070967349.db2.gz VNMZZGCYVMPXJA-UHFFFAOYSA-N 1 0 403.549 -0.394 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000597482895 1070967898 /nfs/dbraw/zinc/96/78/98/1070967898.db2.gz RQQNGIGJTVEGHJ-CRAIPNDOSA-N 1 0 418.494 -0.264 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000597482896 1070967997 /nfs/dbraw/zinc/96/79/97/1070967997.db2.gz RQQNGIGJTVEGHJ-MAUKXSAKSA-N 1 0 418.494 -0.264 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000597482897 1070967879 /nfs/dbraw/zinc/96/78/79/1070967879.db2.gz RQQNGIGJTVEGHJ-QAPCUYQASA-N 1 0 418.494 -0.264 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c2ccccc2O1 ZINC000597482898 1070967982 /nfs/dbraw/zinc/96/79/82/1070967982.db2.gz RQQNGIGJTVEGHJ-YJBOKZPZSA-N 1 0 418.494 -0.264 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000597701728 1070971124 /nfs/dbraw/zinc/97/11/24/1070971124.db2.gz HCXIUUXTXQZNQE-UHFFFAOYSA-N 1 0 419.511 -0.145 20 0 HBADRO CCS(=O)(=O)NCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000597958573 1069229479 /nfs/dbraw/zinc/22/94/79/1069229479.db2.gz GNWYYLYEPSRVBV-UHFFFAOYSA-N 1 0 418.541 -0.076 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000597984126 1070977524 /nfs/dbraw/zinc/97/75/24/1070977524.db2.gz VFVPAQPETMDTMD-KRWDZBQOSA-N 1 0 407.559 -0.406 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000597984127 1070977587 /nfs/dbraw/zinc/97/75/87/1070977587.db2.gz VFVPAQPETMDTMD-QGZVFWFLSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000598244863 1070980693 /nfs/dbraw/zinc/98/06/93/1070980693.db2.gz JASVGVFQMFOFPZ-UHFFFAOYSA-N 1 0 405.565 -0.339 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000598321107 1070982369 /nfs/dbraw/zinc/98/23/69/1070982369.db2.gz RYFNEEKOYFZWDZ-UHFFFAOYSA-N 1 0 410.563 -0.265 20 0 HBADRO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000598917177 1070987877 /nfs/dbraw/zinc/98/78/77/1070987877.db2.gz CBAMMESAPLQJTH-INIZCTEOSA-N 1 0 422.551 -0.191 20 0 HBADRO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000598917178 1070987763 /nfs/dbraw/zinc/98/77/63/1070987763.db2.gz CBAMMESAPLQJTH-MRXNPFEDSA-N 1 0 422.551 -0.191 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000599033231 1070990640 /nfs/dbraw/zinc/99/06/40/1070990640.db2.gz ANEFNWVCISMLDA-DLBZAZTESA-N 1 0 410.540 -0.172 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000599033232 1070990440 /nfs/dbraw/zinc/99/04/40/1070990440.db2.gz ANEFNWVCISMLDA-IRXDYDNUSA-N 1 0 410.540 -0.172 20 0 HBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000599095592 1070995776 /nfs/dbraw/zinc/99/57/76/1070995776.db2.gz FFWXDXXQCDTRPT-GFCCVEGCSA-N 1 0 405.484 -0.537 20 0 HBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000599095593 1070995572 /nfs/dbraw/zinc/99/55/72/1070995572.db2.gz FFWXDXXQCDTRPT-LBPRGKRZSA-N 1 0 405.484 -0.537 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599097783 1070995546 /nfs/dbraw/zinc/99/55/46/1070995546.db2.gz DVXZXRDVBMYGCZ-UHFFFAOYSA-N 1 0 412.512 -0.228 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCCCC3)CCOCC1)c(=O)n2C ZINC000599341327 1071003692 /nfs/dbraw/zinc/00/36/92/1071003692.db2.gz FGSNGXDTAHAXIU-UHFFFAOYSA-N 1 0 418.498 -0.415 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600004417 1071899286 /nfs/dbraw/zinc/89/92/86/1071899286.db2.gz VMSSLDOYSVJLOJ-IBGZPJMESA-N 1 0 409.575 -0.157 20 0 HBADRO CC[NH+]1CCN(CCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600004418 1071899502 /nfs/dbraw/zinc/89/95/02/1071899502.db2.gz VMSSLDOYSVJLOJ-LJQANCHMSA-N 1 0 409.575 -0.157 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000600157678 1070206908 /nfs/dbraw/zinc/20/69/08/1070206908.db2.gz UHYCEXJAPFMAAR-FHWLQOOXSA-N 1 0 408.543 -0.243 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000600157679 1070207145 /nfs/dbraw/zinc/20/71/45/1070207145.db2.gz UHYCEXJAPFMAAR-OTWHNJEPSA-N 1 0 408.543 -0.243 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000600157680 1070207537 /nfs/dbraw/zinc/20/75/37/1070207537.db2.gz UHYCEXJAPFMAAR-QRVBRYPASA-N 1 0 408.543 -0.243 20 0 HBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000600157681 1070207655 /nfs/dbraw/zinc/20/76/55/1070207655.db2.gz UHYCEXJAPFMAAR-QYZOEREBSA-N 1 0 408.543 -0.243 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000600477550 1070247222 /nfs/dbraw/zinc/24/72/22/1070247222.db2.gz WIIAUKYNZGNSKR-BBRMVZONSA-N 1 0 411.528 -0.326 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000600477551 1070247398 /nfs/dbraw/zinc/24/73/98/1070247398.db2.gz WIIAUKYNZGNSKR-XJKSGUPXSA-N 1 0 411.528 -0.326 20 0 HBADRO CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000600514621 1070260079 /nfs/dbraw/zinc/26/00/79/1070260079.db2.gz GGBUMPMSZNRZTO-KRWDZBQOSA-N 1 0 406.508 -0.027 20 0 HBADRO CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600514622 1070260166 /nfs/dbraw/zinc/26/01/66/1070260166.db2.gz GGBUMPMSZNRZTO-QGZVFWFLSA-N 1 0 406.508 -0.027 20 0 HBADRO CN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000600514697 1070260194 /nfs/dbraw/zinc/26/01/94/1070260194.db2.gz LHGAGDIBCURZPZ-KRWDZBQOSA-N 1 0 406.508 -0.027 20 0 HBADRO CN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600514698 1070260288 /nfs/dbraw/zinc/26/02/88/1070260288.db2.gz LHGAGDIBCURZPZ-QGZVFWFLSA-N 1 0 406.508 -0.027 20 0 HBADRO Cn1c2ncn(CC(=O)NCC3([NH+]4CCCCC4)CCOCC3)c2c(=O)n(C)c1=O ZINC000600519038 1070256807 /nfs/dbraw/zinc/25/68/07/1070256807.db2.gz HZJQZOVQKFENGV-UHFFFAOYSA-N 1 0 418.498 -0.415 20 0 HBADRO CN(CCCNC(=O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000600642800 1070280018 /nfs/dbraw/zinc/28/00/18/1070280018.db2.gz ZWRKADMLGGOXSK-KRWDZBQOSA-N 1 0 403.593 -0.514 20 0 HBADRO CN(CCCNC(=O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000600642818 1070279723 /nfs/dbraw/zinc/27/97/23/1070279723.db2.gz ZWRKADMLGGOXSK-QGZVFWFLSA-N 1 0 403.593 -0.514 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000601230170 1069069052 /nfs/dbraw/zinc/06/90/52/1069069052.db2.gz NRRMSTJGNGNNKC-MRXNPFEDSA-N 1 0 419.592 -0.200 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000601354226 1070961787 /nfs/dbraw/zinc/96/17/87/1070961787.db2.gz XIHQRQMKIOGSAJ-BBWFWOEESA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000601354230 1070961740 /nfs/dbraw/zinc/96/17/40/1070961740.db2.gz XIHQRQMKIOGSAJ-GVDBMIGSSA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000601354233 1070961671 /nfs/dbraw/zinc/96/16/71/1070961671.db2.gz XIHQRQMKIOGSAJ-ULQDDVLXSA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000601354236 1070961834 /nfs/dbraw/zinc/96/18/34/1070961834.db2.gz XIHQRQMKIOGSAJ-YESZJQIVSA-N 1 0 418.560 -0.285 20 0 HBADRO CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601477012 1069154226 /nfs/dbraw/zinc/15/42/26/1069154226.db2.gz AEVUUGNHSBPZNN-INIZCTEOSA-N 1 0 414.510 -0.127 20 0 HBADRO CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601477014 1069154022 /nfs/dbraw/zinc/15/40/22/1069154022.db2.gz AEVUUGNHSBPZNN-MRXNPFEDSA-N 1 0 414.510 -0.127 20 0 HBADRO CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601477053 1070964569 /nfs/dbraw/zinc/96/45/69/1070964569.db2.gz APENECSFHPNGJH-HNNXBMFYSA-N 1 0 414.510 -0.127 20 0 HBADRO CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601477055 1070964732 /nfs/dbraw/zinc/96/47/32/1070964732.db2.gz APENECSFHPNGJH-OAHLLOKOSA-N 1 0 414.510 -0.127 20 0 HBADRO CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601478060 1069170437 /nfs/dbraw/zinc/17/04/37/1069170437.db2.gz OCLVHRQQXISWCK-AZUAARDMSA-N 1 0 421.586 -0.206 20 0 HBADRO CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601478061 1069170691 /nfs/dbraw/zinc/17/06/91/1069170691.db2.gz OCLVHRQQXISWCK-ICSRJNTNSA-N 1 0 421.586 -0.206 20 0 HBADRO CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601478062 1069171070 /nfs/dbraw/zinc/17/10/70/1069171070.db2.gz OCLVHRQQXISWCK-QUCCMNQESA-N 1 0 421.586 -0.206 20 0 HBADRO CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601478063 1070964414 /nfs/dbraw/zinc/96/44/14/1070964414.db2.gz OCLVHRQQXISWCK-UYAOXDASSA-N 1 0 421.586 -0.206 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1C ZINC000601479010 1070964499 /nfs/dbraw/zinc/96/44/99/1070964499.db2.gz RVHKHNFEALXASR-INIZCTEOSA-N 1 0 412.560 -0.366 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1C ZINC000601479011 1070964781 /nfs/dbraw/zinc/96/47/81/1070964781.db2.gz RVHKHNFEALXASR-MRXNPFEDSA-N 1 0 412.560 -0.366 20 0 HBADRO CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479163 1070964332 /nfs/dbraw/zinc/96/43/32/1070964332.db2.gz JROXYRBCGCXEMW-HNNXBMFYSA-N 1 0 416.526 -0.184 20 0 HBADRO CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479164 1070964457 /nfs/dbraw/zinc/96/44/57/1070964457.db2.gz JROXYRBCGCXEMW-OAHLLOKOSA-N 1 0 416.526 -0.184 20 0 HBADRO CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479357 1069181179 /nfs/dbraw/zinc/18/11/79/1069181179.db2.gz XQPSPWLJCRILTE-HNNXBMFYSA-N 1 0 417.514 -0.939 20 0 HBADRO CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479358 1069181467 /nfs/dbraw/zinc/18/14/67/1069181467.db2.gz XQPSPWLJCRILTE-OAHLLOKOSA-N 1 0 417.514 -0.939 20 0 HBADRO CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479552 1070964669 /nfs/dbraw/zinc/96/46/69/1070964669.db2.gz WHHWFUNQRUZEIB-HNNXBMFYSA-N 1 0 417.514 -0.939 20 0 HBADRO CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601479553 1070964369 /nfs/dbraw/zinc/96/43/69/1070964369.db2.gz WHHWFUNQRUZEIB-OAHLLOKOSA-N 1 0 417.514 -0.939 20 0 HBADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000601908906 1070968484 /nfs/dbraw/zinc/96/84/84/1070968484.db2.gz ARHCYKLGHFSBPI-UHFFFAOYSA-N 1 0 412.516 -0.830 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[NH+](C)C ZINC000601915475 1070969313 /nfs/dbraw/zinc/96/93/13/1070969313.db2.gz YDHTUEGDXGWTTD-CYBMUJFWSA-N 1 0 412.516 -0.832 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[NH+](C)C ZINC000601915476 1070969373 /nfs/dbraw/zinc/96/93/73/1070969373.db2.gz YDHTUEGDXGWTTD-ZDUSSCGKSA-N 1 0 412.516 -0.832 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000601917435 1070969252 /nfs/dbraw/zinc/96/92/52/1070969252.db2.gz YYNCRRSVHCBUHE-HNNXBMFYSA-N 1 0 424.527 -0.688 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000601917443 1070969338 /nfs/dbraw/zinc/96/93/38/1070969338.db2.gz YYNCRRSVHCBUHE-OAHLLOKOSA-N 1 0 424.527 -0.688 20 0 HBADRO C[NH+]1CCN(c2cc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000602106689 1070971299 /nfs/dbraw/zinc/97/12/99/1070971299.db2.gz DNISKPIPMVXSII-UHFFFAOYSA-N 1 0 410.544 -0.860 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602156026 1070972864 /nfs/dbraw/zinc/97/28/64/1070972864.db2.gz VBCRPAFOIJBZTI-GOSISDBHSA-N 1 0 417.510 -0.279 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602156027 1070972656 /nfs/dbraw/zinc/97/26/56/1070972656.db2.gz VBCRPAFOIJBZTI-SFHVURJKSA-N 1 0 417.510 -0.279 20 0 HBADRO Cn1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194390 1070973731 /nfs/dbraw/zinc/97/37/31/1070973731.db2.gz KMMFYVOHMBVRNI-CYBMUJFWSA-N 1 0 402.499 -0.526 20 0 HBADRO Cn1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194398 1070973437 /nfs/dbraw/zinc/97/34/37/1070973437.db2.gz KMMFYVOHMBVRNI-ZDUSSCGKSA-N 1 0 402.499 -0.526 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195186 1070973650 /nfs/dbraw/zinc/97/36/50/1070973650.db2.gz MFXVULGKOJGIDN-LLVKDONJSA-N 1 0 414.304 -0.004 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195196 1070974349 /nfs/dbraw/zinc/97/43/49/1070974349.db2.gz MFXVULGKOJGIDN-NSHDSACASA-N 1 0 414.304 -0.004 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199811 1070975133 /nfs/dbraw/zinc/97/51/33/1070975133.db2.gz IQYPXQRRVICJGW-AWEZNQCLSA-N 1 0 400.483 -0.470 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199818 1070975052 /nfs/dbraw/zinc/97/50/52/1070975052.db2.gz IQYPXQRRVICJGW-CQSZACIVSA-N 1 0 400.483 -0.470 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000602201236 1070975183 /nfs/dbraw/zinc/97/51/83/1070975183.db2.gz LKAFDPNBFHVWRG-AWEZNQCLSA-N 1 0 417.514 -0.892 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000602201246 1070975256 /nfs/dbraw/zinc/97/52/56/1070975256.db2.gz LKAFDPNBFHVWRG-CQSZACIVSA-N 1 0 417.514 -0.892 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000602201896 1070976294 /nfs/dbraw/zinc/97/62/94/1070976294.db2.gz OZUOXQWJJNAQQH-MSOLQXFVSA-N 1 0 407.559 -0.548 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000602201899 1070975799 /nfs/dbraw/zinc/97/57/99/1070975799.db2.gz OZUOXQWJJNAQQH-QZTJIDSGSA-N 1 0 407.559 -0.548 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000602201902 1070976320 /nfs/dbraw/zinc/97/63/20/1070976320.db2.gz OZUOXQWJJNAQQH-ROUUACIJSA-N 1 0 407.559 -0.548 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)CC1 ZINC000602201904 1070976006 /nfs/dbraw/zinc/97/60/06/1070976006.db2.gz OZUOXQWJJNAQQH-ZWKOTPCHSA-N 1 0 407.559 -0.548 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201911 1070976232 /nfs/dbraw/zinc/97/62/32/1070976232.db2.gz UAWNWACVBHAVKQ-CYBMUJFWSA-N 1 0 400.483 -0.470 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201912 1070976102 /nfs/dbraw/zinc/97/61/02/1070976102.db2.gz UAWNWACVBHAVKQ-ZDUSSCGKSA-N 1 0 400.483 -0.470 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1C ZINC000602203163 1070975950 /nfs/dbraw/zinc/97/59/50/1070975950.db2.gz DBJIVHCOMDWAMV-HNNXBMFYSA-N 1 0 412.560 -0.318 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1C ZINC000602203164 1070976043 /nfs/dbraw/zinc/97/60/43/1070976043.db2.gz DBJIVHCOMDWAMV-OAHLLOKOSA-N 1 0 412.560 -0.318 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000602204094 1070974215 /nfs/dbraw/zinc/97/42/15/1070974215.db2.gz YJGISPSCPMBMSC-AZUAARDMSA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000602204095 1070974488 /nfs/dbraw/zinc/97/44/88/1070974488.db2.gz YJGISPSCPMBMSC-ICSRJNTNSA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000602204096 1070974551 /nfs/dbraw/zinc/97/45/51/1070974551.db2.gz YJGISPSCPMBMSC-QUCCMNQESA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000602204097 1070974301 /nfs/dbraw/zinc/97/43/01/1070974301.db2.gz YJGISPSCPMBMSC-UYAOXDASSA-N 1 0 421.586 -0.016 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000602345007 1070976711 /nfs/dbraw/zinc/97/67/11/1070976711.db2.gz GLYLYDFQUPWMJE-MSOLQXFVSA-N 1 0 409.575 -0.424 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000602345009 1070976858 /nfs/dbraw/zinc/97/68/58/1070976858.db2.gz GLYLYDFQUPWMJE-QZTJIDSGSA-N 1 0 409.575 -0.424 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000602345011 1070976984 /nfs/dbraw/zinc/97/69/84/1070976984.db2.gz GLYLYDFQUPWMJE-ROUUACIJSA-N 1 0 409.575 -0.424 20 0 HBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000602345012 1070976905 /nfs/dbraw/zinc/97/69/05/1070976905.db2.gz GLYLYDFQUPWMJE-ZWKOTPCHSA-N 1 0 409.575 -0.424 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000603282435 1070986984 /nfs/dbraw/zinc/98/69/84/1070986984.db2.gz CFNYZADTTVASNX-UHFFFAOYSA-N 1 0 405.484 -0.535 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1=O ZINC000603479117 1070990396 /nfs/dbraw/zinc/99/03/96/1070990396.db2.gz QBEGWHSKFCVPLO-ARFHVFGLSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1=O ZINC000603479118 1070991372 /nfs/dbraw/zinc/99/13/72/1070991372.db2.gz QBEGWHSKFCVPLO-BZUAXINKSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1=O ZINC000603479119 1070991201 /nfs/dbraw/zinc/99/12/01/1070991201.db2.gz QBEGWHSKFCVPLO-OAGGEKHMSA-N 1 0 400.545 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1=O ZINC000603479120 1070991352 /nfs/dbraw/zinc/99/13/52/1070991352.db2.gz QBEGWHSKFCVPLO-XHSDSOJGSA-N 1 0 400.545 -0.141 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000603535205 1070995678 /nfs/dbraw/zinc/99/56/78/1070995678.db2.gz NHKFJTMIVHJQHL-HNNXBMFYSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000603535216 1070995651 /nfs/dbraw/zinc/99/56/51/1070995651.db2.gz NHKFJTMIVHJQHL-OAHLLOKOSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000603598060 1071000879 /nfs/dbraw/zinc/00/08/79/1071000879.db2.gz BLSUHHGVGQDQIT-CABCVRRESA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000603598061 1071000607 /nfs/dbraw/zinc/00/06/07/1071000607.db2.gz BLSUHHGVGQDQIT-GJZGRUSLSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000603598062 1071000814 /nfs/dbraw/zinc/00/08/14/1071000814.db2.gz BLSUHHGVGQDQIT-HUUCEWRRSA-N 1 0 403.549 -0.348 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000603598063 1071000956 /nfs/dbraw/zinc/00/09/56/1071000956.db2.gz BLSUHHGVGQDQIT-LSDHHAIUSA-N 1 0 403.549 -0.348 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000603737123 1071004893 /nfs/dbraw/zinc/00/48/93/1071004893.db2.gz UPTCOQPCDIUKQF-UHFFFAOYSA-N 1 0 414.528 -0.113 20 0 HBADRO O=C(N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815497 1071006018 /nfs/dbraw/zinc/00/60/18/1071006018.db2.gz ZPGOMOPZKJLWPR-AZUAARDMSA-N 1 0 407.536 -0.045 20 0 HBADRO O=C(N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815498 1071005877 /nfs/dbraw/zinc/00/58/77/1071005877.db2.gz ZPGOMOPZKJLWPR-ICSRJNTNSA-N 1 0 407.536 -0.045 20 0 HBADRO O=C(N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815499 1071006307 /nfs/dbraw/zinc/00/63/07/1071006307.db2.gz ZPGOMOPZKJLWPR-QUCCMNQESA-N 1 0 407.536 -0.045 20 0 HBADRO O=C(N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815500 1071006150 /nfs/dbraw/zinc/00/61/50/1071006150.db2.gz ZPGOMOPZKJLWPR-UYAOXDASSA-N 1 0 407.536 -0.045 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815625 1071006249 /nfs/dbraw/zinc/00/62/49/1071006249.db2.gz PTQZPHOXJHSIIG-JOCHJYFZSA-N 1 0 416.522 -0.374 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815626 1071006073 /nfs/dbraw/zinc/00/60/73/1071006073.db2.gz PTQZPHOXJHSIIG-QFIPXVFZSA-N 1 0 416.522 -0.374 20 0 HBADRO CC(CN1CCC[C@H](NS(C)(=O)=O)C1)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603823339 1071006992 /nfs/dbraw/zinc/00/69/92/1071006992.db2.gz GBYBNNLVJUSNAD-HOTGVXAUSA-N 1 0 410.606 -0.350 20 0 HBADRO CC(CN1CCC[C@@H](NS(C)(=O)=O)C1)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603823340 1071006731 /nfs/dbraw/zinc/00/67/31/1071006731.db2.gz GBYBNNLVJUSNAD-HZPDHXFCSA-N 1 0 410.606 -0.350 20 0 HBADRO C[C@H](CN1CCC[C@@H](NS(C)(=O)=O)C1)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603823341 1071006484 /nfs/dbraw/zinc/00/64/84/1071006484.db2.gz GBYBNNLVJUSNAD-PHZGNYQRSA-N 1 0 410.606 -0.350 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000603895383 1071009074 /nfs/dbraw/zinc/00/90/74/1071009074.db2.gz BQDCIGMUXKOQAH-UHFFFAOYSA-N 1 0 404.515 -0.277 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000603898431 1071009196 /nfs/dbraw/zinc/00/91/96/1071009196.db2.gz NFWHJJNXYBJUNA-UHFFFAOYSA-N 1 0 419.511 -0.145 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCCN2CCC[N@H+](C)CC2)cn1C ZINC000603898456 1071009309 /nfs/dbraw/zinc/00/93/09/1071009309.db2.gz OCXOWYZWNCXXKY-UHFFFAOYSA-N 1 0 400.549 -0.459 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000603899089 1071010155 /nfs/dbraw/zinc/01/01/55/1071010155.db2.gz UXYNLHDBJPRKSP-IBGZPJMESA-N 1 0 409.575 -0.157 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000603899091 1071009872 /nfs/dbraw/zinc/00/98/72/1071009872.db2.gz UXYNLHDBJPRKSP-LJQANCHMSA-N 1 0 409.575 -0.157 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000603899896 1071009649 /nfs/dbraw/zinc/00/96/49/1071009649.db2.gz ULHBLRKSNOXCQR-UHFFFAOYSA-N 1 0 402.293 -0.145 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000604172322 1069252536 /nfs/dbraw/zinc/25/25/36/1069252536.db2.gz CDIQQYQIKBEMBI-GOSISDBHSA-N 1 0 411.547 -0.327 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000604172323 1071015171 /nfs/dbraw/zinc/01/51/71/1071015171.db2.gz CDIQQYQIKBEMBI-SFHVURJKSA-N 1 0 411.547 -0.327 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000604183423 1071015366 /nfs/dbraw/zinc/01/53/66/1071015366.db2.gz ZEFLOQOTBRMZIM-KRWDZBQOSA-N 1 0 413.563 -0.034 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000604183424 1071015278 /nfs/dbraw/zinc/01/52/78/1071015278.db2.gz ZEFLOQOTBRMZIM-QGZVFWFLSA-N 1 0 413.563 -0.034 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000604188351 1069252673 /nfs/dbraw/zinc/25/26/73/1069252673.db2.gz MQUAMXZTEIVWAD-UHFFFAOYSA-N 1 0 405.565 -0.684 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188537 1071016337 /nfs/dbraw/zinc/01/63/37/1071016337.db2.gz ZKVDZRHZBRFZJE-INIZCTEOSA-N 1 0 416.592 -0.969 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188538 1071016583 /nfs/dbraw/zinc/01/65/83/1071016583.db2.gz ZKVDZRHZBRFZJE-MRXNPFEDSA-N 1 0 416.592 -0.969 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194375 1071016244 /nfs/dbraw/zinc/01/62/44/1071016244.db2.gz LHATVGVIHSNFSA-HNNXBMFYSA-N 1 0 419.617 -0.167 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194376 1071016491 /nfs/dbraw/zinc/01/64/91/1071016491.db2.gz LHATVGVIHSNFSA-OAHLLOKOSA-N 1 0 419.617 -0.167 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000604197170 1071017249 /nfs/dbraw/zinc/01/72/49/1071017249.db2.gz PZHHZQQFQOOYAA-MSOLQXFVSA-N 1 0 411.547 -0.328 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000604197178 1071017121 /nfs/dbraw/zinc/01/71/21/1071017121.db2.gz PZHHZQQFQOOYAA-QZTJIDSGSA-N 1 0 411.547 -0.328 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000604197181 1071017061 /nfs/dbraw/zinc/01/70/61/1071017061.db2.gz PZHHZQQFQOOYAA-ROUUACIJSA-N 1 0 411.547 -0.328 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000604197183 1071017378 /nfs/dbraw/zinc/01/73/78/1071017378.db2.gz PZHHZQQFQOOYAA-ZWKOTPCHSA-N 1 0 411.547 -0.328 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000604197460 1071017948 /nfs/dbraw/zinc/01/79/48/1071017948.db2.gz REELRMPEBAGQSN-KRWDZBQOSA-N 1 0 413.563 -0.034 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000604197461 1071017788 /nfs/dbraw/zinc/01/77/88/1071017788.db2.gz REELRMPEBAGQSN-QGZVFWFLSA-N 1 0 413.563 -0.034 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207211 1071018428 /nfs/dbraw/zinc/01/84/28/1071018428.db2.gz BGWUQVWOHIDXRH-INIZCTEOSA-N 1 0 406.531 -0.713 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207212 1071018138 /nfs/dbraw/zinc/01/81/38/1071018138.db2.gz BGWUQVWOHIDXRH-MRXNPFEDSA-N 1 0 406.531 -0.713 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209122 1071018049 /nfs/dbraw/zinc/01/80/49/1071018049.db2.gz LFZHAWWTEWBSFM-GOSISDBHSA-N 1 0 422.574 -0.659 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209127 1071018736 /nfs/dbraw/zinc/01/87/36/1071018736.db2.gz LFZHAWWTEWBSFM-SFHVURJKSA-N 1 0 422.574 -0.659 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209198 1071018901 /nfs/dbraw/zinc/01/89/01/1071018901.db2.gz MEMDFBXASGZUOP-KRWDZBQOSA-N 1 0 420.558 -0.369 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209199 1069252945 /nfs/dbraw/zinc/25/29/45/1069252945.db2.gz MEMDFBXASGZUOP-QGZVFWFLSA-N 1 0 420.558 -0.369 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604209228 1071018291 /nfs/dbraw/zinc/01/82/91/1071018291.db2.gz MJUFHOYGNGWTJH-INIZCTEOSA-N 1 0 408.547 -0.467 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604209236 1071018561 /nfs/dbraw/zinc/01/85/61/1071018561.db2.gz MJUFHOYGNGWTJH-MRXNPFEDSA-N 1 0 408.547 -0.467 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604209762 1071019663 /nfs/dbraw/zinc/01/96/63/1071019663.db2.gz YFOHSXGFLFJTLV-HNNXBMFYSA-N 1 0 402.565 -0.712 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604209763 1071019399 /nfs/dbraw/zinc/01/93/99/1071019399.db2.gz YFOHSXGFLFJTLV-OAHLLOKOSA-N 1 0 402.565 -0.712 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604210122 1071019110 /nfs/dbraw/zinc/01/91/10/1071019110.db2.gz WEHRTJFSBSGRNZ-KRWDZBQOSA-N 1 0 408.547 -0.465 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604210123 1071019511 /nfs/dbraw/zinc/01/95/11/1071019511.db2.gz WEHRTJFSBSGRNZ-QGZVFWFLSA-N 1 0 408.547 -0.465 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H](C)C1 ZINC000604296301 1071020820 /nfs/dbraw/zinc/02/08/20/1071020820.db2.gz NEVTXCMRZQVTIO-CABCVRRESA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](C)C1 ZINC000604296303 1071020381 /nfs/dbraw/zinc/02/03/81/1071020381.db2.gz NEVTXCMRZQVTIO-GJZGRUSLSA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@H](C)C1 ZINC000604296304 1071021427 /nfs/dbraw/zinc/02/14/27/1071021427.db2.gz NEVTXCMRZQVTIO-HUUCEWRRSA-N 1 0 420.514 -0.313 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](C)C1 ZINC000604296305 1071021084 /nfs/dbraw/zinc/02/10/84/1071021084.db2.gz NEVTXCMRZQVTIO-LSDHHAIUSA-N 1 0 420.514 -0.313 20 0 HBADRO Cn1c2ncn(CC(=O)NCc3ccc(F)c(C[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000604342788 1071025096 /nfs/dbraw/zinc/02/50/96/1071025096.db2.gz ICDNOXIXHGEHAL-UHFFFAOYSA-N 1 0 402.430 -0.049 20 0 HBADRO Cn1c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000604350232 1069256798 /nfs/dbraw/zinc/25/67/98/1069256798.db2.gz RTGNJIYLDPFKMI-AWEZNQCLSA-N 1 0 402.499 -0.572 20 0 HBADRO Cn1c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000604350233 1071025272 /nfs/dbraw/zinc/02/52/72/1071025272.db2.gz RTGNJIYLDPFKMI-CQSZACIVSA-N 1 0 402.499 -0.572 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350609 1071026081 /nfs/dbraw/zinc/02/60/81/1071026081.db2.gz JCAPNZXNJWZMBZ-PMACEKPBSA-N 1 0 421.586 -0.062 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350610 1071026049 /nfs/dbraw/zinc/02/60/49/1071026049.db2.gz JCAPNZXNJWZMBZ-UXHICEINSA-N 1 0 421.586 -0.062 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350611 1071025816 /nfs/dbraw/zinc/02/58/16/1071025816.db2.gz JCAPNZXNJWZMBZ-VQTJNVASSA-N 1 0 421.586 -0.062 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350612 1071025699 /nfs/dbraw/zinc/02/56/99/1071025699.db2.gz JCAPNZXNJWZMBZ-WOJBJXKFSA-N 1 0 421.586 -0.062 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1C ZINC000604350761 1071025795 /nfs/dbraw/zinc/02/57/95/1071025795.db2.gz OKSMUZDBCXYUNH-INIZCTEOSA-N 1 0 412.560 -0.365 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1C ZINC000604350762 1071025743 /nfs/dbraw/zinc/02/57/43/1071025743.db2.gz OKSMUZDBCXYUNH-MRXNPFEDSA-N 1 0 412.560 -0.365 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)C1 ZINC000604350907 1071025003 /nfs/dbraw/zinc/02/50/03/1071025003.db2.gz VIOBGXXZHBWGOE-MOPGFXCFSA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)C1 ZINC000604350908 1071025340 /nfs/dbraw/zinc/02/53/40/1071025340.db2.gz VIOBGXXZHBWGOE-OALUTQOASA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)C1 ZINC000604350909 1071025161 /nfs/dbraw/zinc/02/51/61/1071025161.db2.gz VIOBGXXZHBWGOE-RBUKOAKNSA-N 1 0 407.559 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)C1 ZINC000604350910 1071025201 /nfs/dbraw/zinc/02/52/01/1071025201.db2.gz VIOBGXXZHBWGOE-RTBURBONSA-N 1 0 407.559 -0.595 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2c(=O)n(C)c1=O ZINC000604350975 1071025330 /nfs/dbraw/zinc/02/53/30/1071025330.db2.gz YGTGTABKACSLBY-HNNXBMFYSA-N 1 0 417.514 -0.938 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c(=O)n(C)c1=O ZINC000604350976 1071025241 /nfs/dbraw/zinc/02/52/41/1071025241.db2.gz YGTGTABKACSLBY-OAHLLOKOSA-N 1 0 417.514 -0.938 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)C1 ZINC000604351384 1071025646 /nfs/dbraw/zinc/02/56/46/1071025646.db2.gz OZKREPCMXITJGI-GFCCVEGCSA-N 1 0 414.304 -0.050 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)C1 ZINC000604351385 1069256975 /nfs/dbraw/zinc/25/69/75/1069256975.db2.gz OZKREPCMXITJGI-LBPRGKRZSA-N 1 0 414.304 -0.050 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cnc2n(C)c1=O ZINC000604352753 1071025876 /nfs/dbraw/zinc/02/58/76/1071025876.db2.gz RQJKFDIOQJVSFH-HNNXBMFYSA-N 1 0 400.483 -0.516 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cnc2n(C)c1=O ZINC000604352754 1071025856 /nfs/dbraw/zinc/02/58/56/1071025856.db2.gz RQJKFDIOQJVSFH-OAHLLOKOSA-N 1 0 400.483 -0.516 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)C1 ZINC000604353431 1071025965 /nfs/dbraw/zinc/02/59/65/1071025965.db2.gz RKUAZKNJPSIWLB-IKGGRYGDSA-N 1 0 412.556 -0.740 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1 ZINC000604353432 1071026020 /nfs/dbraw/zinc/02/60/20/1071026020.db2.gz RKUAZKNJPSIWLB-IXDOHACOSA-N 1 0 412.556 -0.740 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)C1 ZINC000604353433 1071025765 /nfs/dbraw/zinc/02/57/65/1071025765.db2.gz RKUAZKNJPSIWLB-ULQDDVLXSA-N 1 0 412.556 -0.740 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1 ZINC000604353434 1071025893 /nfs/dbraw/zinc/02/58/93/1071025893.db2.gz RKUAZKNJPSIWLB-YESZJQIVSA-N 1 0 412.556 -0.740 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000604367764 1071021124 /nfs/dbraw/zinc/02/11/24/1071021124.db2.gz ZLWXNHZUPRZSBZ-GDBMZVCRSA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000604367765 1071021463 /nfs/dbraw/zinc/02/14/63/1071021463.db2.gz ZLWXNHZUPRZSBZ-GOEBONIOSA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000604367766 1071021261 /nfs/dbraw/zinc/02/12/61/1071021261.db2.gz ZLWXNHZUPRZSBZ-HOCLYGCPSA-N 1 0 401.533 -0.048 20 0 HBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000604367767 1071021007 /nfs/dbraw/zinc/02/10/07/1071021007.db2.gz ZLWXNHZUPRZSBZ-ZBFHGGJFSA-N 1 0 401.533 -0.048 20 0 HBADRO C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000604369819 1071021828 /nfs/dbraw/zinc/02/18/28/1071021828.db2.gz AZXPDNZKQDNECR-CVEARBPZSA-N 1 0 407.515 -0.238 20 0 HBADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000604369831 1071021937 /nfs/dbraw/zinc/02/19/37/1071021937.db2.gz AZXPDNZKQDNECR-HOTGVXAUSA-N 1 0 407.515 -0.238 20 0 HBADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000604369832 1071021768 /nfs/dbraw/zinc/02/17/68/1071021768.db2.gz AZXPDNZKQDNECR-HZPDHXFCSA-N 1 0 407.515 -0.238 20 0 HBADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000604369833 1071022161 /nfs/dbraw/zinc/02/21/61/1071022161.db2.gz AZXPDNZKQDNECR-JKSUJKDBSA-N 1 0 407.515 -0.238 20 0 HBADRO O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370062 1071022043 /nfs/dbraw/zinc/02/20/43/1071022043.db2.gz FIOUQLKHMXWTIP-AWEZNQCLSA-N 1 0 402.542 -0.451 20 0 HBADRO O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370063 1071022333 /nfs/dbraw/zinc/02/23/33/1071022333.db2.gz FIOUQLKHMXWTIP-CQSZACIVSA-N 1 0 402.542 -0.451 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)o1 ZINC000604370082 1071021650 /nfs/dbraw/zinc/02/16/50/1071021650.db2.gz FUFOMZIROKAAJL-AWEZNQCLSA-N 1 0 400.501 -0.334 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)o1 ZINC000604370084 1071022102 /nfs/dbraw/zinc/02/21/02/1071022102.db2.gz FUFOMZIROKAAJL-CQSZACIVSA-N 1 0 400.501 -0.334 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cnc21 ZINC000604370296 1071021881 /nfs/dbraw/zinc/02/18/81/1071021881.db2.gz HOACQUFEQFOGIQ-AWEZNQCLSA-N 1 0 402.455 -0.830 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cnc21 ZINC000604370301 1071021712 /nfs/dbraw/zinc/02/17/12/1071021712.db2.gz HOACQUFEQFOGIQ-CQSZACIVSA-N 1 0 402.455 -0.830 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370498 1071022963 /nfs/dbraw/zinc/02/29/63/1071022963.db2.gz ARAYQODOFALMML-AWEZNQCLSA-N 1 0 412.512 -0.521 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370499 1071023061 /nfs/dbraw/zinc/02/30/61/1071023061.db2.gz ARAYQODOFALMML-CQSZACIVSA-N 1 0 412.512 -0.521 20 0 HBADRO CNC(=O)COc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC000604370657 1071022279 /nfs/dbraw/zinc/02/22/79/1071022279.db2.gz KPVLZPDZRLEKDW-KRWDZBQOSA-N 1 0 420.510 -0.044 20 0 HBADRO CNC(=O)COc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC000604370661 1071022217 /nfs/dbraw/zinc/02/22/17/1071022217.db2.gz KPVLZPDZRLEKDW-QGZVFWFLSA-N 1 0 420.510 -0.044 20 0 HBADRO CN(CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)S(=O)(=O)c1ccccc1 ZINC000604370723 1071022826 /nfs/dbraw/zinc/02/28/26/1071022826.db2.gz LSWQLJQXTZNXRE-KRWDZBQOSA-N 1 0 410.540 -0.170 20 0 HBADRO CN(CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)S(=O)(=O)c1ccccc1 ZINC000604370724 1071022778 /nfs/dbraw/zinc/02/27/78/1071022778.db2.gz LSWQLJQXTZNXRE-QGZVFWFLSA-N 1 0 410.540 -0.170 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000604370871 1071021600 /nfs/dbraw/zinc/02/16/00/1071021600.db2.gz FTFQRXPMGCEGID-PMACEKPBSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000604370873 1071022435 /nfs/dbraw/zinc/02/24/35/1071022435.db2.gz FTFQRXPMGCEGID-UXHICEINSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000604370874 1071022382 /nfs/dbraw/zinc/02/23/82/1071022382.db2.gz FTFQRXPMGCEGID-VQTJNVASSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000604370875 1071021985 /nfs/dbraw/zinc/02/19/85/1071021985.db2.gz FTFQRXPMGCEGID-WOJBJXKFSA-N 1 0 416.522 -0.063 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccnc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371265 1071023242 /nfs/dbraw/zinc/02/32/42/1071023242.db2.gz CPLPYYQFDGUYBG-INIZCTEOSA-N 1 0 411.528 -0.727 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371270 1071022927 /nfs/dbraw/zinc/02/29/27/1071022927.db2.gz CPLPYYQFDGUYBG-MRXNPFEDSA-N 1 0 411.528 -0.727 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000604371490 1071024182 /nfs/dbraw/zinc/02/41/82/1071024182.db2.gz IDNPFFSGPLBQHJ-HKUYNNGSSA-N 1 0 401.511 -0.047 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000604371491 1071024554 /nfs/dbraw/zinc/02/45/54/1071024554.db2.gz IDNPFFSGPLBQHJ-IEBWSBKVSA-N 1 0 401.511 -0.047 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000604371492 1071024378 /nfs/dbraw/zinc/02/43/78/1071024378.db2.gz IDNPFFSGPLBQHJ-MJGOQNOKSA-N 1 0 401.511 -0.047 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000604371493 1071023833 /nfs/dbraw/zinc/02/38/33/1071023833.db2.gz IDNPFFSGPLBQHJ-PKOBYXMFSA-N 1 0 401.511 -0.047 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000604371500 1071023976 /nfs/dbraw/zinc/02/39/76/1071023976.db2.gz DOSKGUQXADSCPM-GOSISDBHSA-N 1 0 415.494 -0.125 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000604371504 1071024146 /nfs/dbraw/zinc/02/41/46/1071024146.db2.gz DOSKGUQXADSCPM-SFHVURJKSA-N 1 0 415.494 -0.125 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604371572 1071024522 /nfs/dbraw/zinc/02/45/22/1071024522.db2.gz VFHXZAHDIZNMOH-DLBZAZTESA-N 1 0 402.561 -0.429 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604371585 1071024425 /nfs/dbraw/zinc/02/44/25/1071024425.db2.gz VFHXZAHDIZNMOH-IAGOWNOFSA-N 1 0 402.561 -0.429 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604371586 1071024354 /nfs/dbraw/zinc/02/43/54/1071024354.db2.gz VFHXZAHDIZNMOH-IRXDYDNUSA-N 1 0 402.561 -0.429 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604371587 1071023883 /nfs/dbraw/zinc/02/38/83/1071023883.db2.gz VFHXZAHDIZNMOH-SJORKVTESA-N 1 0 402.561 -0.429 20 0 HBADRO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371732 1071024065 /nfs/dbraw/zinc/02/40/65/1071024065.db2.gz FLLJNLJFVQBTFI-IBGZPJMESA-N 1 0 424.567 -0.085 20 0 HBADRO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604371737 1071024257 /nfs/dbraw/zinc/02/42/57/1071024257.db2.gz FLLJNLJFVQBTFI-LJQANCHMSA-N 1 0 424.567 -0.085 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371754 1069694549 /nfs/dbraw/zinc/69/45/49/1069694549.db2.gz FRVSFKWPPFVEAW-INIZCTEOSA-N 1 0 416.530 -0.221 20 0 HBADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371760 1071023926 /nfs/dbraw/zinc/02/39/26/1071023926.db2.gz FRVSFKWPPFVEAW-MRXNPFEDSA-N 1 0 416.530 -0.221 20 0 HBADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371911 1071023406 /nfs/dbraw/zinc/02/34/06/1071023406.db2.gz WKZGSXJCCNKPAW-HNNXBMFYSA-N 1 0 401.467 -0.375 20 0 HBADRO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371913 1071022891 /nfs/dbraw/zinc/02/28/91/1071022891.db2.gz WKZGSXJCCNKPAW-OAHLLOKOSA-N 1 0 401.467 -0.375 20 0 HBADRO O=C(CSc1nnnn1CC(F)(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372052 1071022865 /nfs/dbraw/zinc/02/28/65/1071022865.db2.gz LMVRMCNAZHFNSW-GFCCVEGCSA-N 1 0 423.465 -0.150 20 0 HBADRO O=C(CSc1nnnn1CC(F)(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372061 1071023091 /nfs/dbraw/zinc/02/30/91/1071023091.db2.gz LMVRMCNAZHFNSW-LBPRGKRZSA-N 1 0 423.465 -0.150 20 0 HBADRO O=C(CCCS(=O)(=O)N1CCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372320 1071023131 /nfs/dbraw/zinc/02/31/31/1071023131.db2.gz IUAVOLWMUHXJSG-KRWDZBQOSA-N 1 0 402.561 -0.285 20 0 HBADRO O=C(CCCS(=O)(=O)N1CCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372321 1071022660 /nfs/dbraw/zinc/02/26/60/1071022660.db2.gz IUAVOLWMUHXJSG-QGZVFWFLSA-N 1 0 402.561 -0.285 20 0 HBADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372364 1071022719 /nfs/dbraw/zinc/02/27/19/1071022719.db2.gz KHAXMQXSIGWOGT-AWEZNQCLSA-N 1 0 400.501 -0.320 20 0 HBADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372365 1071023185 /nfs/dbraw/zinc/02/31/85/1071023185.db2.gz KHAXMQXSIGWOGT-CQSZACIVSA-N 1 0 400.501 -0.320 20 0 HBADRO NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372384 1071024491 /nfs/dbraw/zinc/02/44/91/1071024491.db2.gz LFZOPVBQYBRGHT-KRWDZBQOSA-N 1 0 410.540 -0.211 20 0 HBADRO NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604372385 1071024105 /nfs/dbraw/zinc/02/41/05/1071024105.db2.gz LFZOPVBQYBRGHT-QGZVFWFLSA-N 1 0 410.540 -0.211 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000604372549 1071021361 /nfs/dbraw/zinc/02/13/61/1071021361.db2.gz MCKXGJWZFHVPLD-GOSISDBHSA-N 1 0 415.494 -0.125 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000604372550 1071021302 /nfs/dbraw/zinc/02/13/02/1071021302.db2.gz MCKXGJWZFHVPLD-SFHVURJKSA-N 1 0 415.494 -0.125 20 0 HBADRO CCn1c2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2[nH]c(=O)c1=O ZINC000604372642 1071027384 /nfs/dbraw/zinc/02/73/84/1071027384.db2.gz RDGIKYVBFNJZFR-INIZCTEOSA-N 1 0 415.494 -0.154 20 0 HBADRO CCn1c2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2[nH]c(=O)c1=O ZINC000604372643 1071027235 /nfs/dbraw/zinc/02/72/35/1071027235.db2.gz RDGIKYVBFNJZFR-MRXNPFEDSA-N 1 0 415.494 -0.154 20 0 HBADRO O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372670 1071027424 /nfs/dbraw/zinc/02/74/24/1071027424.db2.gz MKNKTTUKVHZZFF-KRWDZBQOSA-N 1 0 410.540 -0.122 20 0 HBADRO O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372671 1071027269 /nfs/dbraw/zinc/02/72/69/1071027269.db2.gz MKNKTTUKVHZZFF-QGZVFWFLSA-N 1 0 410.540 -0.122 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372849 1071025060 /nfs/dbraw/zinc/02/50/60/1071025060.db2.gz QFQPZXPWPHYZJR-HNNXBMFYSA-N 1 0 416.569 -0.061 20 0 HBADRO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604372850 1071024958 /nfs/dbraw/zinc/02/49/58/1071024958.db2.gz QFQPZXPWPHYZJR-OAHLLOKOSA-N 1 0 416.569 -0.061 20 0 HBADRO CN(CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)S(=O)(=O)c1cccnc1 ZINC000604373010 1071024319 /nfs/dbraw/zinc/02/43/19/1071024319.db2.gz UBUBPOVRKIQAJE-INIZCTEOSA-N 1 0 411.528 -0.775 20 0 HBADRO CN(CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)S(=O)(=O)c1cccnc1 ZINC000604373011 1071024923 /nfs/dbraw/zinc/02/49/23/1071024923.db2.gz UBUBPOVRKIQAJE-MRXNPFEDSA-N 1 0 411.528 -0.775 20 0 HBADRO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373199 1071024466 /nfs/dbraw/zinc/02/44/66/1071024466.db2.gz SFQUNPLORTUMBN-INIZCTEOSA-N 1 0 400.483 -0.296 20 0 HBADRO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373206 1071024015 /nfs/dbraw/zinc/02/40/15/1071024015.db2.gz SFQUNPLORTUMBN-MRXNPFEDSA-N 1 0 400.483 -0.296 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373485 1071027141 /nfs/dbraw/zinc/02/71/41/1071027141.db2.gz SXUZIMREGOJVMH-CABCVRRESA-N 1 0 416.569 -0.062 20 0 HBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373486 1071027321 /nfs/dbraw/zinc/02/73/21/1071027321.db2.gz SXUZIMREGOJVMH-GJZGRUSLSA-N 1 0 416.569 -0.062 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373487 1071027553 /nfs/dbraw/zinc/02/75/53/1071027553.db2.gz SXUZIMREGOJVMH-HUUCEWRRSA-N 1 0 416.569 -0.062 20 0 HBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373488 1071027255 /nfs/dbraw/zinc/02/72/55/1071027255.db2.gz SXUZIMREGOJVMH-LSDHHAIUSA-N 1 0 416.569 -0.062 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373615 1071027183 /nfs/dbraw/zinc/02/71/83/1071027183.db2.gz WFADFWUKRUJUQD-DLBZAZTESA-N 1 0 410.540 -0.124 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373616 1071027362 /nfs/dbraw/zinc/02/73/62/1071027362.db2.gz WFADFWUKRUJUQD-IRXDYDNUSA-N 1 0 410.540 -0.124 20 0 HBADRO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373717 1071027532 /nfs/dbraw/zinc/02/75/32/1071027532.db2.gz ZYABBHVHPXXZLH-INIZCTEOSA-N 1 0 407.515 -0.236 20 0 HBADRO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373718 1071027203 /nfs/dbraw/zinc/02/72/03/1071027203.db2.gz ZYABBHVHPXXZLH-MRXNPFEDSA-N 1 0 407.515 -0.236 20 0 HBADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604376204 1071027299 /nfs/dbraw/zinc/02/72/99/1071027299.db2.gz ITTAYTANYIDMPQ-INIZCTEOSA-N 1 0 407.515 -0.236 20 0 HBADRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604376205 1071027500 /nfs/dbraw/zinc/02/75/00/1071027500.db2.gz ITTAYTANYIDMPQ-MRXNPFEDSA-N 1 0 407.515 -0.236 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000604385699 1071027461 /nfs/dbraw/zinc/02/74/61/1071027461.db2.gz GWXUTNRBVWPURT-MOPGFXCFSA-N 1 0 424.567 -0.086 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000604385700 1071027405 /nfs/dbraw/zinc/02/74/05/1071027405.db2.gz GWXUTNRBVWPURT-OALUTQOASA-N 1 0 424.567 -0.086 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000604385701 1071028149 /nfs/dbraw/zinc/02/81/49/1071028149.db2.gz GWXUTNRBVWPURT-RBUKOAKNSA-N 1 0 424.567 -0.086 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000604385702 1071028261 /nfs/dbraw/zinc/02/82/61/1071028261.db2.gz GWXUTNRBVWPURT-RTBURBONSA-N 1 0 424.567 -0.086 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)S(C)(=O)=O ZINC000604387123 1071027959 /nfs/dbraw/zinc/02/79/59/1071027959.db2.gz ZJLGNNZUQUANKQ-DLBZAZTESA-N 1 0 404.577 -0.306 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)S(C)(=O)=O ZINC000604387124 1071027986 /nfs/dbraw/zinc/02/79/86/1071027986.db2.gz ZJLGNNZUQUANKQ-IAGOWNOFSA-N 1 0 404.577 -0.306 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O ZINC000604387125 1071028194 /nfs/dbraw/zinc/02/81/94/1071028194.db2.gz ZJLGNNZUQUANKQ-IRXDYDNUSA-N 1 0 404.577 -0.306 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O ZINC000604387126 1071028033 /nfs/dbraw/zinc/02/80/33/1071028033.db2.gz ZJLGNNZUQUANKQ-SJORKVTESA-N 1 0 404.577 -0.306 20 0 HBADRO C[N@H+](CCCO)C1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000604388119 1071027903 /nfs/dbraw/zinc/02/79/03/1071027903.db2.gz JTONEYOEGYYUDW-UHFFFAOYSA-N 1 0 411.591 -0.176 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN([C@H]3CCC[N@H+](C)C3)CC1)c(=O)n2C ZINC000604388751 1071028103 /nfs/dbraw/zinc/02/81/03/1071028103.db2.gz NJCIUSFWOYCQGC-INIZCTEOSA-N 1 0 403.531 -0.464 20 0 HBADRO Cn1cnc2c1c(=O)n(CCCN1CCN([C@@H]3CCC[N@H+](C)C3)CC1)c(=O)n2C ZINC000604388756 1071028049 /nfs/dbraw/zinc/02/80/49/1071028049.db2.gz NJCIUSFWOYCQGC-MRXNPFEDSA-N 1 0 403.531 -0.464 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC000604389850 1071028171 /nfs/dbraw/zinc/02/81/71/1071028171.db2.gz WWFPCLCCRSUQBD-GOSISDBHSA-N 1 0 417.620 -0.126 20 0 HBADRO CC(C)N(CCCNC(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC000604389851 1071027993 /nfs/dbraw/zinc/02/79/93/1071027993.db2.gz WWFPCLCCRSUQBD-SFHVURJKSA-N 1 0 417.620 -0.126 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(=O)n(C)c1=O ZINC000604389902 1071028008 /nfs/dbraw/zinc/02/80/08/1071028008.db2.gz JNEOSNHBJXDQJV-INIZCTEOSA-N 1 0 420.558 -0.320 20 0 HBADRO CC(C)Cn1c(N)c(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(=O)n(C)c1=O ZINC000604389911 1071028078 /nfs/dbraw/zinc/02/80/78/1071028078.db2.gz JNEOSNHBJXDQJV-MRXNPFEDSA-N 1 0 420.558 -0.320 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)C1 ZINC000604390027 1071027881 /nfs/dbraw/zinc/02/78/81/1071027881.db2.gz ONHTVCIIISJXKW-KRWDZBQOSA-N 1 0 421.567 -0.065 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)C1 ZINC000604390028 1071028214 /nfs/dbraw/zinc/02/82/14/1071028214.db2.gz ONHTVCIIISJXKW-QGZVFWFLSA-N 1 0 421.567 -0.065 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000604391394 1071028236 /nfs/dbraw/zinc/02/82/36/1071028236.db2.gz KNDOHENSFUXZNS-UHFFFAOYSA-N 1 0 415.538 -0.262 20 0 HBADRO CN(CCCNC(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1)S(C)(=O)=O ZINC000604391497 1071027919 /nfs/dbraw/zinc/02/79/19/1071027919.db2.gz OWCWYQQQUOOQML-UHFFFAOYSA-N 1 0 410.540 -0.097 20 0 HBADRO Cn1c2ncn(CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000604392116 1071027980 /nfs/dbraw/zinc/02/79/80/1071027980.db2.gz YXIJBAMGDCFMJA-UHFFFAOYSA-N 1 0 410.478 -0.047 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1C(=O)N(C)C ZINC000604399376 1071025919 /nfs/dbraw/zinc/02/59/19/1071025919.db2.gz WUJREHUITCVQOE-UHFFFAOYSA-N 1 0 412.512 -0.209 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000604408099 1071026612 /nfs/dbraw/zinc/02/66/12/1071026612.db2.gz BAVICLSMKVWFGT-AWEZNQCLSA-N 1 0 402.542 -0.266 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000604408100 1071026552 /nfs/dbraw/zinc/02/65/52/1071026552.db2.gz BAVICLSMKVWFGT-CQSZACIVSA-N 1 0 402.542 -0.266 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604408267 1071026597 /nfs/dbraw/zinc/02/65/97/1071026597.db2.gz HJYKTDQTRYBNHF-AWEZNQCLSA-N 1 0 402.542 -0.266 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604408268 1071026622 /nfs/dbraw/zinc/02/66/22/1071026622.db2.gz HJYKTDQTRYBNHF-CQSZACIVSA-N 1 0 402.542 -0.266 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604408284 1069257407 /nfs/dbraw/zinc/25/74/07/1069257407.db2.gz INMLNEVZNMSPPX-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604408285 1071026702 /nfs/dbraw/zinc/02/67/02/1071026702.db2.gz INMLNEVZNMSPPX-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)C1 ZINC000604408442 1071026667 /nfs/dbraw/zinc/02/66/67/1071026667.db2.gz OMRSLVGUPGYLFY-CYBMUJFWSA-N 1 0 407.496 -0.383 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)C1 ZINC000604408443 1071026526 /nfs/dbraw/zinc/02/65/26/1071026526.db2.gz OMRSLVGUPGYLFY-ZDUSSCGKSA-N 1 0 407.496 -0.383 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cnc21 ZINC000604408638 1071026779 /nfs/dbraw/zinc/02/67/79/1071026779.db2.gz WKMGDEPQMSMESG-CYBMUJFWSA-N 1 0 422.511 -0.565 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cnc21 ZINC000604408639 1071027346 /nfs/dbraw/zinc/02/73/46/1071027346.db2.gz WKMGDEPQMSMESG-ZDUSSCGKSA-N 1 0 422.511 -0.565 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604408708 1071027163 /nfs/dbraw/zinc/02/71/63/1071027163.db2.gz ZFGPQKWZZPMDQE-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604408709 1069257630 /nfs/dbraw/zinc/25/76/30/1069257630.db2.gz ZFGPQKWZZPMDQE-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000604526658 1071030656 /nfs/dbraw/zinc/03/06/56/1071030656.db2.gz NMIVVXOWMGXSPI-GDBMZVCRSA-N 1 0 416.544 -0.080 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000604526659 1071030797 /nfs/dbraw/zinc/03/07/97/1071030797.db2.gz NMIVVXOWMGXSPI-GOEBONIOSA-N 1 0 416.544 -0.080 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000604526660 1071030703 /nfs/dbraw/zinc/03/07/03/1071030703.db2.gz NMIVVXOWMGXSPI-HOCLYGCPSA-N 1 0 416.544 -0.080 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000604526661 1071030826 /nfs/dbraw/zinc/03/08/26/1071030826.db2.gz NMIVVXOWMGXSPI-ZBFHGGJFSA-N 1 0 416.544 -0.080 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000604587673 1071031405 /nfs/dbraw/zinc/03/14/05/1071031405.db2.gz BFKHNCRFTCDOAY-GFCCVEGCSA-N 1 0 415.491 -0.140 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000604587674 1071031327 /nfs/dbraw/zinc/03/13/27/1071031327.db2.gz BFKHNCRFTCDOAY-LBPRGKRZSA-N 1 0 415.491 -0.140 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604605177 1071032025 /nfs/dbraw/zinc/03/20/25/1071032025.db2.gz WSXWWRJWLCHISF-HNNXBMFYSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604605178 1071031711 /nfs/dbraw/zinc/03/17/11/1071031711.db2.gz WSXWWRJWLCHISF-OAHLLOKOSA-N 1 0 409.512 -0.489 20 0 HBADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606134 1071031874 /nfs/dbraw/zinc/03/18/74/1071031874.db2.gz BVUVMNXDOIXNKX-INIZCTEOSA-N 1 0 404.467 -0.332 20 0 HBADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606135 1071032002 /nfs/dbraw/zinc/03/20/02/1071032002.db2.gz BVUVMNXDOIXNKX-MRXNPFEDSA-N 1 0 404.467 -0.332 20 0 HBADRO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC000604606171 1071031840 /nfs/dbraw/zinc/03/18/40/1071031840.db2.gz FPJJHEWDGWQFNN-KRWDZBQOSA-N 1 0 420.510 -0.044 20 0 HBADRO COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC000604606172 1071031754 /nfs/dbraw/zinc/03/17/54/1071031754.db2.gz FPJJHEWDGWQFNN-QGZVFWFLSA-N 1 0 420.510 -0.044 20 0 HBADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606241 1071031973 /nfs/dbraw/zinc/03/19/73/1071031973.db2.gz JPFLKUVQOBSJRX-HNNXBMFYSA-N 1 0 401.467 -0.375 20 0 HBADRO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606242 1071031903 /nfs/dbraw/zinc/03/19/03/1071031903.db2.gz JPFLKUVQOBSJRX-OAHLLOKOSA-N 1 0 401.467 -0.375 20 0 HBADRO COc1cc(OC)cc(C(=O)NCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604606425 1071031796 /nfs/dbraw/zinc/03/17/96/1071031796.db2.gz WIEAIBASJVESET-KRWDZBQOSA-N 1 0 420.510 -0.044 20 0 HBADRO COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604606426 1071031730 /nfs/dbraw/zinc/03/17/30/1071031730.db2.gz WIEAIBASJVESET-QGZVFWFLSA-N 1 0 420.510 -0.044 20 0 HBADRO NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604606467 1071031809 /nfs/dbraw/zinc/03/18/09/1071031809.db2.gz YDHPHSBHVBKQTO-HNNXBMFYSA-N 1 0 412.512 -0.765 20 0 HBADRO NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604606468 1071031941 /nfs/dbraw/zinc/03/19/41/1071031941.db2.gz YDHPHSBHVBKQTO-OAHLLOKOSA-N 1 0 412.512 -0.765 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604631065 1071032741 /nfs/dbraw/zinc/03/27/41/1071032741.db2.gz CEAFBJWBSZQNQY-INIZCTEOSA-N 1 0 411.528 -0.460 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604631066 1071032687 /nfs/dbraw/zinc/03/26/87/1071032687.db2.gz CEAFBJWBSZQNQY-MRXNPFEDSA-N 1 0 411.528 -0.460 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000604633548 1071032726 /nfs/dbraw/zinc/03/27/26/1071032726.db2.gz RALRWHNBYWHGBF-CYBMUJFWSA-N 1 0 417.557 -0.399 20 0 HBADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000604633549 1071032356 /nfs/dbraw/zinc/03/23/56/1071032356.db2.gz RALRWHNBYWHGBF-ZDUSSCGKSA-N 1 0 417.557 -0.399 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604637121 1071032390 /nfs/dbraw/zinc/03/23/90/1071032390.db2.gz XPNIYDZXSVMBOY-KRWDZBQOSA-N 1 0 417.576 -0.494 20 0 HBADRO CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604637122 1071032583 /nfs/dbraw/zinc/03/25/83/1071032583.db2.gz XPNIYDZXSVMBOY-QGZVFWFLSA-N 1 0 417.576 -0.494 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639895 1071032656 /nfs/dbraw/zinc/03/26/56/1071032656.db2.gz YVSZYZFEHREUDK-IBGZPJMESA-N 1 0 424.590 -0.317 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639896 1071032437 /nfs/dbraw/zinc/03/24/37/1071032437.db2.gz YVSZYZFEHREUDK-LJQANCHMSA-N 1 0 424.590 -0.317 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604640417 1071032781 /nfs/dbraw/zinc/03/27/81/1071032781.db2.gz HSHXOMWTXYOJEH-INIZCTEOSA-N 1 0 405.565 -0.636 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604640418 1071032487 /nfs/dbraw/zinc/03/24/87/1071032487.db2.gz HSHXOMWTXYOJEH-MRXNPFEDSA-N 1 0 405.565 -0.636 20 0 HBADRO CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604640720 1071037234 /nfs/dbraw/zinc/03/72/34/1071037234.db2.gz CVGCODHHOHJRSL-HNNXBMFYSA-N 1 0 405.565 -0.590 20 0 HBADRO CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604640721 1071037123 /nfs/dbraw/zinc/03/71/23/1071037123.db2.gz CVGCODHHOHJRSL-OAHLLOKOSA-N 1 0 405.565 -0.590 20 0 HBADRO NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604640935 1071037166 /nfs/dbraw/zinc/03/71/66/1071037166.db2.gz QOXLQHOIHRTXOY-INIZCTEOSA-N 1 0 411.528 -0.460 20 0 HBADRO NS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000604640936 1071037253 /nfs/dbraw/zinc/03/72/53/1071037253.db2.gz QOXLQHOIHRTXOY-MRXNPFEDSA-N 1 0 411.528 -0.460 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641760 1071036927 /nfs/dbraw/zinc/03/69/27/1071036927.db2.gz MYPYJRANMNNVOS-KRWDZBQOSA-N 1 0 421.546 -0.523 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604641761 1071037216 /nfs/dbraw/zinc/03/72/16/1071037216.db2.gz MYPYJRANMNNVOS-QGZVFWFLSA-N 1 0 421.546 -0.523 20 0 HBADRO CCN(CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000604642967 1069261401 /nfs/dbraw/zinc/26/14/01/1069261401.db2.gz MCENOLFKRYCMFK-INIZCTEOSA-N 1 0 405.565 -0.636 20 0 HBADRO CCN(CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000604642968 1071037036 /nfs/dbraw/zinc/03/70/36/1071037036.db2.gz MCENOLFKRYCMFK-MRXNPFEDSA-N 1 0 405.565 -0.636 20 0 HBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643784 1071037061 /nfs/dbraw/zinc/03/70/61/1071037061.db2.gz ASUGGYKCKGZBAJ-INIZCTEOSA-N 1 0 415.494 -0.012 20 0 HBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643785 1071037980 /nfs/dbraw/zinc/03/79/80/1071037980.db2.gz ASUGGYKCKGZBAJ-MRXNPFEDSA-N 1 0 415.494 -0.012 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604645139 1071037813 /nfs/dbraw/zinc/03/78/13/1071037813.db2.gz AJKXNDLYZUBIEN-CVEARBPZSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604645140 1071037617 /nfs/dbraw/zinc/03/76/17/1071037617.db2.gz AJKXNDLYZUBIEN-HOTGVXAUSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604645141 1071037903 /nfs/dbraw/zinc/03/79/03/1071037903.db2.gz AJKXNDLYZUBIEN-HZPDHXFCSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604645142 1071038026 /nfs/dbraw/zinc/03/80/26/1071038026.db2.gz AJKXNDLYZUBIEN-JKSUJKDBSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604648148 1071037773 /nfs/dbraw/zinc/03/77/73/1071037773.db2.gz WWVYRCITRDNQSK-KRWDZBQOSA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604648149 1071037994 /nfs/dbraw/zinc/03/79/94/1071037994.db2.gz WWVYRCITRDNQSK-QGZVFWFLSA-N 1 0 417.576 -0.636 20 0 HBADRO O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649468 1071037661 /nfs/dbraw/zinc/03/76/61/1071037661.db2.gz HHQCJZCFSZDLKJ-INIZCTEOSA-N 1 0 403.549 -0.882 20 0 HBADRO O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649469 1071037925 /nfs/dbraw/zinc/03/79/25/1071037925.db2.gz HHQCJZCFSZDLKJ-MRXNPFEDSA-N 1 0 403.549 -0.882 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604650520 1071037946 /nfs/dbraw/zinc/03/79/46/1071037946.db2.gz BCYYERMUPMKASV-IBGZPJMESA-N 1 0 418.542 -0.212 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604650521 1071037565 /nfs/dbraw/zinc/03/75/65/1071037565.db2.gz BCYYERMUPMKASV-LJQANCHMSA-N 1 0 418.542 -0.212 20 0 HBADRO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604652717 1071033135 /nfs/dbraw/zinc/03/31/35/1071033135.db2.gz HEPWWHAREJBOGR-INIZCTEOSA-N 1 0 400.487 -0.132 20 0 HBADRO O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604652718 1071033383 /nfs/dbraw/zinc/03/33/83/1071033383.db2.gz HEPWWHAREJBOGR-MRXNPFEDSA-N 1 0 400.487 -0.132 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)C1 ZINC000604652940 1071033295 /nfs/dbraw/zinc/03/32/95/1071033295.db2.gz REKVTIVXMWJULM-INIZCTEOSA-N 1 0 419.617 -0.214 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)C1 ZINC000604652941 1071033401 /nfs/dbraw/zinc/03/34/01/1071033401.db2.gz REKVTIVXMWJULM-MRXNPFEDSA-N 1 0 419.617 -0.214 20 0 HBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604653730 1071033312 /nfs/dbraw/zinc/03/33/12/1071033312.db2.gz NCCYDABLMVSJMO-KRWDZBQOSA-N 1 0 417.576 -0.588 20 0 HBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604653731 1071033171 /nfs/dbraw/zinc/03/31/71/1071033171.db2.gz NCCYDABLMVSJMO-QGZVFWFLSA-N 1 0 417.576 -0.588 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653747 1071033322 /nfs/dbraw/zinc/03/33/22/1071033322.db2.gz OBDINPVQFUGVII-GOSISDBHSA-N 1 0 410.563 -0.755 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653748 1071033262 /nfs/dbraw/zinc/03/32/62/1071033262.db2.gz OBDINPVQFUGVII-SFHVURJKSA-N 1 0 410.563 -0.755 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000604654720 1071034011 /nfs/dbraw/zinc/03/40/11/1071034011.db2.gz MORHKDAMWOVMJM-KBPBESRZSA-N 1 0 407.437 -0.145 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000604654721 1071034095 /nfs/dbraw/zinc/03/40/95/1071034095.db2.gz MORHKDAMWOVMJM-KGLIPLIRSA-N 1 0 407.437 -0.145 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604654722 1071034062 /nfs/dbraw/zinc/03/40/62/1071034062.db2.gz MORHKDAMWOVMJM-UONOGXRCSA-N 1 0 407.437 -0.145 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000604654723 1071033899 /nfs/dbraw/zinc/03/38/99/1071033899.db2.gz MORHKDAMWOVMJM-ZIAGYGMSSA-N 1 0 407.437 -0.145 20 0 HBADRO CS(=O)(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667139 1071034503 /nfs/dbraw/zinc/03/45/03/1071034503.db2.gz NQTDGQSENAPLTL-INIZCTEOSA-N 1 0 403.549 -0.930 20 0 HBADRO CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667140 1071034616 /nfs/dbraw/zinc/03/46/16/1071034616.db2.gz NQTDGQSENAPLTL-MRXNPFEDSA-N 1 0 403.549 -0.930 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000604667141 1071034879 /nfs/dbraw/zinc/03/48/79/1071034879.db2.gz NSJWEMICXVUYCQ-GOSISDBHSA-N 1 0 408.547 -0.064 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000604667142 1071034821 /nfs/dbraw/zinc/03/48/21/1071034821.db2.gz NSJWEMICXVUYCQ-SFHVURJKSA-N 1 0 408.547 -0.064 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000604667472 1071034684 /nfs/dbraw/zinc/03/46/84/1071034684.db2.gz ACPPXCFOGWPQJV-GOSISDBHSA-N 1 0 416.526 -0.045 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000604667473 1071034539 /nfs/dbraw/zinc/03/45/39/1071034539.db2.gz ACPPXCFOGWPQJV-SFHVURJKSA-N 1 0 416.526 -0.045 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667552 1071034454 /nfs/dbraw/zinc/03/44/54/1071034454.db2.gz CIFHSNYDHZGUGR-MOPGFXCFSA-N 1 0 424.590 -0.365 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667553 1071034767 /nfs/dbraw/zinc/03/47/67/1071034767.db2.gz CIFHSNYDHZGUGR-OALUTQOASA-N 1 0 424.590 -0.365 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667554 1071034748 /nfs/dbraw/zinc/03/47/48/1071034748.db2.gz CIFHSNYDHZGUGR-RBUKOAKNSA-N 1 0 424.590 -0.365 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667555 1071034480 /nfs/dbraw/zinc/03/44/80/1071034480.db2.gz CIFHSNYDHZGUGR-RTBURBONSA-N 1 0 424.590 -0.365 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000604667580 1071034645 /nfs/dbraw/zinc/03/46/45/1071034645.db2.gz DOVHACKKYQOMSG-MOPGFXCFSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000604667581 1071034842 /nfs/dbraw/zinc/03/48/42/1071034842.db2.gz DOVHACKKYQOMSG-OALUTQOASA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000604667582 1069261126 /nfs/dbraw/zinc/26/11/26/1069261126.db2.gz DOVHACKKYQOMSG-RBUKOAKNSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000604667583 1069261258 /nfs/dbraw/zinc/26/12/58/1069261258.db2.gz DOVHACKKYQOMSG-RTBURBONSA-N 1 0 423.558 -0.327 20 0 HBADRO Cn1cc(CN2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cn1 ZINC000604668000 1071036215 /nfs/dbraw/zinc/03/62/15/1071036215.db2.gz POMNKTLDNVXHFW-IBGZPJMESA-N 1 0 405.547 -0.346 20 0 HBADRO Cn1cc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cn1 ZINC000604668001 1071036607 /nfs/dbraw/zinc/03/66/07/1071036607.db2.gz POMNKTLDNVXHFW-LJQANCHMSA-N 1 0 405.547 -0.346 20 0 HBADRO O=C(CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000604668046 1071035457 /nfs/dbraw/zinc/03/54/57/1071035457.db2.gz QMZVOVFHPYYSTP-IBGZPJMESA-N 1 0 422.574 -0.658 20 0 HBADRO O=C(CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1)N1CCCC1 ZINC000604668047 1071035352 /nfs/dbraw/zinc/03/53/52/1071035352.db2.gz QMZVOVFHPYYSTP-LJQANCHMSA-N 1 0 422.574 -0.658 20 0 HBADRO CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668064 1071035401 /nfs/dbraw/zinc/03/54/01/1071035401.db2.gz QZDFPUGIIPLPBX-KRWDZBQOSA-N 1 0 417.576 -0.494 20 0 HBADRO CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668065 1071035240 /nfs/dbraw/zinc/03/52/40/1071035240.db2.gz QZDFPUGIIPLPBX-QGZVFWFLSA-N 1 0 417.576 -0.494 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668090 1071035512 /nfs/dbraw/zinc/03/55/12/1071035512.db2.gz RMBAUARNXYFINN-CVEARBPZSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668091 1071036440 /nfs/dbraw/zinc/03/64/40/1071036440.db2.gz RMBAUARNXYFINN-HOTGVXAUSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668092 1071036588 /nfs/dbraw/zinc/03/65/88/1071036588.db2.gz RMBAUARNXYFINN-HZPDHXFCSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668093 1071036242 /nfs/dbraw/zinc/03/62/42/1071036242.db2.gz RMBAUARNXYFINN-JKSUJKDBSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668262 1071035325 /nfs/dbraw/zinc/03/53/25/1071035325.db2.gz WHNHMJZYUGPZLR-DLBZAZTESA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668263 1071035530 /nfs/dbraw/zinc/03/55/30/1071035530.db2.gz WHNHMJZYUGPZLR-IAGOWNOFSA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668264 1071035558 /nfs/dbraw/zinc/03/55/58/1071035558.db2.gz WHNHMJZYUGPZLR-IRXDYDNUSA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668265 1071035301 /nfs/dbraw/zinc/03/53/01/1071035301.db2.gz WHNHMJZYUGPZLR-SJORKVTESA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668507 1071034859 /nfs/dbraw/zinc/03/48/59/1071034859.db2.gz DSIFJHWEBUUFJU-CVEARBPZSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668508 1071034584 /nfs/dbraw/zinc/03/45/84/1071034584.db2.gz DSIFJHWEBUUFJU-HOTGVXAUSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668509 1071035140 /nfs/dbraw/zinc/03/51/40/1071035140.db2.gz DSIFJHWEBUUFJU-HZPDHXFCSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604668510 1071035174 /nfs/dbraw/zinc/03/51/74/1071035174.db2.gz DSIFJHWEBUUFJU-JKSUJKDBSA-N 1 0 403.549 -0.884 20 0 HBADRO Cn1cccc1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668589 1071035213 /nfs/dbraw/zinc/03/52/13/1071035213.db2.gz GOMLTYCPOGFGJN-GOSISDBHSA-N 1 0 418.542 -0.101 20 0 HBADRO Cn1cccc1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668590 1071035103 /nfs/dbraw/zinc/03/51/03/1071035103.db2.gz GOMLTYCPOGFGJN-SFHVURJKSA-N 1 0 418.542 -0.101 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668677 1071036543 /nfs/dbraw/zinc/03/65/43/1071036543.db2.gz IHYPWZIZOZECNJ-GOSISDBHSA-N 1 0 410.563 -0.755 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668678 1071036060 /nfs/dbraw/zinc/03/60/60/1071036060.db2.gz IHYPWZIZOZECNJ-SFHVURJKSA-N 1 0 410.563 -0.755 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668797 1071036415 /nfs/dbraw/zinc/03/64/15/1071036415.db2.gz LJBBOORSNJROAR-GOSISDBHSA-N 1 0 405.547 -0.346 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668798 1071036157 /nfs/dbraw/zinc/03/61/57/1071036157.db2.gz LJBBOORSNJROAR-SFHVURJKSA-N 1 0 405.547 -0.346 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000604668879 1071036135 /nfs/dbraw/zinc/03/61/35/1071036135.db2.gz NCMFEEQJXMRLNM-MSOLQXFVSA-N 1 0 409.531 -0.574 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000604668880 1071037266 /nfs/dbraw/zinc/03/72/66/1071037266.db2.gz NCMFEEQJXMRLNM-QZTJIDSGSA-N 1 0 409.531 -0.574 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000604668881 1071037098 /nfs/dbraw/zinc/03/70/98/1071037098.db2.gz NCMFEEQJXMRLNM-ROUUACIJSA-N 1 0 409.531 -0.574 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000604668882 1071037007 /nfs/dbraw/zinc/03/70/07/1071037007.db2.gz NCMFEEQJXMRLNM-ZWKOTPCHSA-N 1 0 409.531 -0.574 20 0 HBADRO COc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000604669186 1071036570 /nfs/dbraw/zinc/03/65/70/1071036570.db2.gz WBAZOOMNKDULCW-KRWDZBQOSA-N 1 0 419.530 -0.277 20 0 HBADRO COc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000604669187 1071036188 /nfs/dbraw/zinc/03/61/88/1071036188.db2.gz WBAZOOMNKDULCW-QGZVFWFLSA-N 1 0 419.530 -0.277 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604669394 1071036110 /nfs/dbraw/zinc/03/61/10/1071036110.db2.gz FKYILIYOFBAFQW-DLBZAZTESA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604669395 1071036313 /nfs/dbraw/zinc/03/63/13/1071036313.db2.gz FKYILIYOFBAFQW-IAGOWNOFSA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604669396 1071036517 /nfs/dbraw/zinc/03/65/17/1071036517.db2.gz FKYILIYOFBAFQW-IRXDYDNUSA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604669397 1071036275 /nfs/dbraw/zinc/03/62/75/1071036275.db2.gz FKYILIYOFBAFQW-SJORKVTESA-N 1 0 417.576 -0.636 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682071 1071037846 /nfs/dbraw/zinc/03/78/46/1071037846.db2.gz UGLPJWHDIFELAH-KRWDZBQOSA-N 1 0 417.510 -0.012 20 0 HBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682072 1071038556 /nfs/dbraw/zinc/03/85/56/1071038556.db2.gz UGLPJWHDIFELAH-QGZVFWFLSA-N 1 0 417.510 -0.012 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000604682452 1071037864 /nfs/dbraw/zinc/03/78/64/1071037864.db2.gz LSTFXLWHUDEOLA-INIZCTEOSA-N 1 0 403.483 -0.272 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000604682453 1071037695 /nfs/dbraw/zinc/03/76/95/1071037695.db2.gz LSTFXLWHUDEOLA-MRXNPFEDSA-N 1 0 403.483 -0.272 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)C1 ZINC000604682460 1071037879 /nfs/dbraw/zinc/03/78/79/1071037879.db2.gz MAYTUFFXUNCLDR-INIZCTEOSA-N 1 0 403.483 -0.272 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)C1 ZINC000604682461 1071037720 /nfs/dbraw/zinc/03/77/20/1071037720.db2.gz MAYTUFFXUNCLDR-MRXNPFEDSA-N 1 0 403.483 -0.272 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)C1 ZINC000604682678 1071038418 /nfs/dbraw/zinc/03/84/18/1071038418.db2.gz WANCPQGXSCUETQ-HNNXBMFYSA-N 1 0 409.512 -0.338 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)C1 ZINC000604682679 1071038535 /nfs/dbraw/zinc/03/85/35/1071038535.db2.gz WANCPQGXSCUETQ-OAHLLOKOSA-N 1 0 409.512 -0.338 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000604762228 1071039102 /nfs/dbraw/zinc/03/91/02/1071039102.db2.gz WZQBTCNZMRMBMK-UHFFFAOYSA-N 1 0 403.526 -0.374 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000604764223 1071039085 /nfs/dbraw/zinc/03/90/85/1071039085.db2.gz YFPGAWYAUJOTJP-UHFFFAOYSA-N 1 0 406.508 -0.099 20 0 HBADRO Cn1cc([C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cn1 ZINC000604775292 1071038453 /nfs/dbraw/zinc/03/84/53/1071038453.db2.gz IBNAMUJFDYPICS-KRWDZBQOSA-N 1 0 404.515 -0.788 20 0 HBADRO Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)cn1 ZINC000604775294 1071038395 /nfs/dbraw/zinc/03/83/95/1071038395.db2.gz IBNAMUJFDYPICS-QGZVFWFLSA-N 1 0 404.515 -0.788 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000604789681 1071038488 /nfs/dbraw/zinc/03/84/88/1071038488.db2.gz ASQSNQTYXIAZAY-LLVKDONJSA-N 1 0 403.277 -0.080 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000604789687 1071039148 /nfs/dbraw/zinc/03/91/48/1071039148.db2.gz ASQSNQTYXIAZAY-NSHDSACASA-N 1 0 403.277 -0.080 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000604897800 1071040042 /nfs/dbraw/zinc/04/00/42/1071040042.db2.gz GTKAKHXKALJHDZ-INIZCTEOSA-N 1 0 411.528 -0.189 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000604897801 1071040155 /nfs/dbraw/zinc/04/01/55/1071040155.db2.gz GTKAKHXKALJHDZ-MRXNPFEDSA-N 1 0 411.528 -0.189 20 0 HBADRO COCCOC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000604903185 1071040535 /nfs/dbraw/zinc/04/05/35/1071040535.db2.gz ULLUKTKNXVBKFV-UHFFFAOYSA-N 1 0 412.531 -0.883 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000604927272 1071043097 /nfs/dbraw/zinc/04/30/97/1071043097.db2.gz HAFBXWVAUUOBAR-KRWDZBQOSA-N 1 0 423.539 -0.477 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000604927273 1071043224 /nfs/dbraw/zinc/04/32/24/1071043224.db2.gz HAFBXWVAUUOBAR-QGZVFWFLSA-N 1 0 423.539 -0.477 20 0 HBADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000605026852 1071044919 /nfs/dbraw/zinc/04/49/19/1071044919.db2.gz YBTRTSSSWNMYJW-MOPGFXCFSA-N 1 0 407.559 -0.452 20 0 HBADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000605026853 1071044723 /nfs/dbraw/zinc/04/47/23/1071044723.db2.gz YBTRTSSSWNMYJW-OALUTQOASA-N 1 0 407.559 -0.452 20 0 HBADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000605026854 1071044783 /nfs/dbraw/zinc/04/47/83/1071044783.db2.gz YBTRTSSSWNMYJW-RBUKOAKNSA-N 1 0 407.559 -0.452 20 0 HBADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000605026855 1071044861 /nfs/dbraw/zinc/04/48/61/1071044861.db2.gz YBTRTSSSWNMYJW-RTBURBONSA-N 1 0 407.559 -0.452 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605065038 1071044691 /nfs/dbraw/zinc/04/46/91/1071044691.db2.gz BAYLJAUJFGSRRN-KRWDZBQOSA-N 1 0 415.494 -0.030 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605065039 1071044801 /nfs/dbraw/zinc/04/48/01/1071044801.db2.gz BAYLJAUJFGSRRN-QGZVFWFLSA-N 1 0 415.494 -0.030 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065398 1071045293 /nfs/dbraw/zinc/04/52/93/1071045293.db2.gz RZXFIGBERLUUFL-UHFFFAOYSA-N 1 0 415.494 -0.173 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065901 1071045308 /nfs/dbraw/zinc/04/53/08/1071045308.db2.gz LDAIELRRBWBDAA-UHFFFAOYSA-N 1 0 413.478 -0.322 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605066081 1071045275 /nfs/dbraw/zinc/04/52/75/1071045275.db2.gz SZSLZUULDWMRAJ-UHFFFAOYSA-N 1 0 415.494 -0.076 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1=O ZINC000605133429 1071046348 /nfs/dbraw/zinc/04/63/48/1071046348.db2.gz AZQNYCMXQZFTRB-BFYDXBDKSA-N 1 0 402.499 -0.026 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1=O ZINC000605133430 1071046377 /nfs/dbraw/zinc/04/63/77/1071046377.db2.gz AZQNYCMXQZFTRB-INMHGKMJSA-N 1 0 402.499 -0.026 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1=O ZINC000605133431 1071046464 /nfs/dbraw/zinc/04/64/64/1071046464.db2.gz AZQNYCMXQZFTRB-UXLLHSPISA-N 1 0 402.499 -0.026 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1=O ZINC000605133432 1071046442 /nfs/dbraw/zinc/04/64/42/1071046442.db2.gz AZQNYCMXQZFTRB-ZMSDIMECSA-N 1 0 402.499 -0.026 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000605174439 1071048427 /nfs/dbraw/zinc/04/84/27/1071048427.db2.gz BSXOCOZLQOMMSR-KRWDZBQOSA-N 1 0 402.499 -0.043 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000605174440 1071048473 /nfs/dbraw/zinc/04/84/73/1071048473.db2.gz BSXOCOZLQOMMSR-QGZVFWFLSA-N 1 0 402.499 -0.043 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605174970 1071048047 /nfs/dbraw/zinc/04/80/47/1071048047.db2.gz WZCVMXBJBQVAOX-INIZCTEOSA-N 1 0 405.503 -0.233 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605174971 1071047977 /nfs/dbraw/zinc/04/79/77/1071047977.db2.gz WZCVMXBJBQVAOX-MRXNPFEDSA-N 1 0 405.503 -0.233 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)cn1 ZINC000605230123 1071053868 /nfs/dbraw/zinc/05/38/68/1071053868.db2.gz HJLREQSUJMIKLC-DOTOQJQBSA-N 1 0 405.503 -0.769 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)cn1 ZINC000605230124 1071053923 /nfs/dbraw/zinc/05/39/23/1071053923.db2.gz HJLREQSUJMIKLC-NVXWUHKLSA-N 1 0 405.503 -0.769 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)cn1 ZINC000605230125 1068218805 /nfs/dbraw/zinc/21/88/05/1068218805.db2.gz HJLREQSUJMIKLC-RDJZCZTQSA-N 1 0 405.503 -0.769 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)cn1 ZINC000605230126 1068218915 /nfs/dbraw/zinc/21/89/15/1068218915.db2.gz HJLREQSUJMIKLC-WBVHZDCISA-N 1 0 405.503 -0.769 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605231126 1071054402 /nfs/dbraw/zinc/05/44/02/1071054402.db2.gz DFFMGXINJJFFRZ-INIZCTEOSA-N 1 0 405.503 -0.279 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605231127 1071054510 /nfs/dbraw/zinc/05/45/10/1071054510.db2.gz DFFMGXINJJFFRZ-MRXNPFEDSA-N 1 0 405.503 -0.279 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000605231787 1071054469 /nfs/dbraw/zinc/05/44/69/1071054469.db2.gz MXKKHRWINCXBRL-INIZCTEOSA-N 1 0 403.487 -0.525 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000605231788 1071054377 /nfs/dbraw/zinc/05/43/77/1071054377.db2.gz MXKKHRWINCXBRL-MRXNPFEDSA-N 1 0 403.487 -0.525 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000605239392 1071050219 /nfs/dbraw/zinc/05/02/19/1071050219.db2.gz MXYDKYBZISAJTI-UHFFFAOYSA-N 1 0 414.484 -0.668 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000605239406 1071050058 /nfs/dbraw/zinc/05/00/58/1071050058.db2.gz RYRRRVTUEBAKPC-UHFFFAOYSA-N 1 0 414.484 -0.668 20 0 HBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000605239453 1071050145 /nfs/dbraw/zinc/05/01/45/1071050145.db2.gz HAKLCQNMXHVEBW-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000605239506 1068219708 /nfs/dbraw/zinc/21/97/08/1068219708.db2.gz SASYIUQHPVCOPX-UHFFFAOYSA-N 1 0 418.903 -0.023 20 0 HBADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000605239523 1071050127 /nfs/dbraw/zinc/05/01/27/1071050127.db2.gz WESSHGJCXJPKFU-UHFFFAOYSA-N 1 0 405.499 -0.024 20 0 HBADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605240522 1071050600 /nfs/dbraw/zinc/05/06/00/1071050600.db2.gz HORZPTKQUPVXBQ-UHFFFAOYSA-N 1 0 410.496 -0.142 20 0 HBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cn2)CC1 ZINC000605240541 1071050571 /nfs/dbraw/zinc/05/05/71/1071050571.db2.gz JUCOTABEZWBLAC-UHFFFAOYSA-N 1 0 424.527 -0.686 20 0 HBADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000605240640 1071050695 /nfs/dbraw/zinc/05/06/95/1071050695.db2.gz VAHZMHFUMBMHTB-UHFFFAOYSA-N 1 0 417.510 -0.101 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000605240680 1071050005 /nfs/dbraw/zinc/05/00/05/1071050005.db2.gz ZGYPGHBHUZZVDS-UHFFFAOYSA-N 1 0 423.539 -0.227 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000605240722 1071050520 /nfs/dbraw/zinc/05/05/20/1071050520.db2.gz CLWLKTYNPQPAGS-UHFFFAOYSA-N 1 0 423.539 -0.227 20 0 HBADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000605240772 1071050659 /nfs/dbraw/zinc/05/06/59/1071050659.db2.gz JHOUPINXGQELBH-GOSISDBHSA-N 1 0 416.478 -0.149 20 0 HBADRO O=C(NCC[NH+]1CCCC1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000605240773 1071050558 /nfs/dbraw/zinc/05/05/58/1071050558.db2.gz JHOUPINXGQELBH-SFHVURJKSA-N 1 0 416.478 -0.149 20 0 HBADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605240825 1071050201 /nfs/dbraw/zinc/05/02/01/1071050201.db2.gz NVCSNDYOWNSLIO-UHFFFAOYSA-N 1 0 410.496 -0.142 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000605242870 1071050671 /nfs/dbraw/zinc/05/06/71/1071050671.db2.gz GLNMEKSYVFEBHT-UHFFFAOYSA-N 1 0 411.528 -0.620 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000605243444 1071052129 /nfs/dbraw/zinc/05/21/29/1071052129.db2.gz JQOJYNNFBBGGLH-UHFFFAOYSA-N 1 0 410.496 -0.144 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 ZINC000605243474 1071052386 /nfs/dbraw/zinc/05/23/86/1071052386.db2.gz MOCGSUCPXHUUCC-UHFFFAOYSA-N 1 0 424.527 -0.688 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2)CC1 ZINC000605243549 1071052157 /nfs/dbraw/zinc/05/21/57/1071052157.db2.gz XOEGJKSAMLGAFR-UHFFFAOYSA-N 1 0 423.539 -0.228 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000605243580 1071052436 /nfs/dbraw/zinc/05/24/36/1071052436.db2.gz CCRVFQWQKIROJO-UHFFFAOYSA-N 1 0 410.496 -0.144 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CC1 ZINC000605243607 1071052413 /nfs/dbraw/zinc/05/24/13/1071052413.db2.gz HFICLRVZFOOTSY-UHFFFAOYSA-N 1 0 417.510 -0.103 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000605243612 1071052026 /nfs/dbraw/zinc/05/20/26/1071052026.db2.gz HYCWXRQQARDKIO-UHFFFAOYSA-N 1 0 423.539 -0.228 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000605243751 1071052332 /nfs/dbraw/zinc/05/23/32/1071052332.db2.gz GKMOXQJGGQWGHA-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 ZINC000605243834 1068219542 /nfs/dbraw/zinc/21/95/42/1068219542.db2.gz ZYGDVGOUBRBKEV-GOSISDBHSA-N 1 0 416.478 -0.150 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 ZINC000605243835 1068219387 /nfs/dbraw/zinc/21/93/87/1068219387.db2.gz ZYGDVGOUBRBKEV-SFHVURJKSA-N 1 0 416.478 -0.150 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000605243849 1071052519 /nfs/dbraw/zinc/05/25/19/1071052519.db2.gz CXISEVOQWMQGJC-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000605243866 1071051717 /nfs/dbraw/zinc/05/17/17/1071051717.db2.gz GVOPCNICEIYUSX-UHFFFAOYSA-N 1 0 405.499 -0.245 20 0 HBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000605244045 1071051659 /nfs/dbraw/zinc/05/16/59/1071051659.db2.gz HYMSTACZYHODOR-CYBMUJFWSA-N 1 0 416.482 -0.193 20 0 HBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000605244046 1071051688 /nfs/dbraw/zinc/05/16/88/1071051688.db2.gz HYMSTACZYHODOR-ZDUSSCGKSA-N 1 0 416.482 -0.193 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000605244055 1071051680 /nfs/dbraw/zinc/05/16/80/1071051680.db2.gz IMAJLHBDZPCSMY-KRWDZBQOSA-N 1 0 404.467 -0.293 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000605244056 1071051637 /nfs/dbraw/zinc/05/16/37/1071051637.db2.gz IMAJLHBDZPCSMY-QGZVFWFLSA-N 1 0 404.467 -0.293 20 0 HBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000605244290 1071052274 /nfs/dbraw/zinc/05/22/74/1071052274.db2.gz WOXDIFBYZKHFHO-UHFFFAOYSA-N 1 0 416.475 -0.147 20 0 HBADRO CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605246039 1071052463 /nfs/dbraw/zinc/05/24/63/1071052463.db2.gz QZMGNBOAAHWQRC-INIZCTEOSA-N 1 0 417.510 -0.150 20 0 HBADRO CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605246040 1071052344 /nfs/dbraw/zinc/05/23/44/1071052344.db2.gz QZMGNBOAAHWQRC-MRXNPFEDSA-N 1 0 417.510 -0.150 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000605246193 1071052224 /nfs/dbraw/zinc/05/22/24/1071052224.db2.gz BZZZKVZBUBVZAE-UHFFFAOYSA-N 1 0 405.499 -0.293 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000605246207 1071052104 /nfs/dbraw/zinc/05/21/04/1071052104.db2.gz DJDHNIQLPLGHCV-UHFFFAOYSA-N 1 0 406.483 -0.279 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000605246213 1071051977 /nfs/dbraw/zinc/05/19/77/1071051977.db2.gz GDTOZOAWEZETID-UHFFFAOYSA-N 1 0 419.526 -0.364 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605246322 1071052292 /nfs/dbraw/zinc/05/22/92/1071052292.db2.gz UNFLBBLKTZSIBP-UHFFFAOYSA-N 1 0 412.512 -0.446 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000605246416 1071052184 /nfs/dbraw/zinc/05/21/84/1071052184.db2.gz FSRRBUUZZUKGGD-UHFFFAOYSA-N 1 0 405.499 -0.293 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000605246570 1071052308 /nfs/dbraw/zinc/05/23/08/1071052308.db2.gz VMWPVVQIQNTLRH-UHFFFAOYSA-N 1 0 416.500 -0.422 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000605246600 1068219501 /nfs/dbraw/zinc/21/95/01/1068219501.db2.gz XXKCIYKGWYANPX-UHFFFAOYSA-N 1 0 416.475 -0.002 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000605248054 1071052071 /nfs/dbraw/zinc/05/20/71/1071052071.db2.gz SSNODWHGIOTAJM-HNNXBMFYSA-N 1 0 404.471 -0.817 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000605248055 1071052318 /nfs/dbraw/zinc/05/23/18/1071052318.db2.gz SSNODWHGIOTAJM-OAHLLOKOSA-N 1 0 404.471 -0.817 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c2ccccc2O1 ZINC000605248057 1071052256 /nfs/dbraw/zinc/05/22/56/1071052256.db2.gz SUUBPAALXZYORN-PBHICJAKSA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c2ccccc2O1 ZINC000605248058 1071052969 /nfs/dbraw/zinc/05/29/69/1071052969.db2.gz SUUBPAALXZYORN-RHSMWYFYSA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c2ccccc2O1 ZINC000605248059 1071053046 /nfs/dbraw/zinc/05/30/46/1071053046.db2.gz SUUBPAALXZYORN-WMLDXEAASA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c2ccccc2O1 ZINC000605248060 1071052926 /nfs/dbraw/zinc/05/29/26/1071052926.db2.gz SUUBPAALXZYORN-YOEHRIQHSA-N 1 0 404.467 -0.246 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000605248825 1071052815 /nfs/dbraw/zinc/05/28/15/1071052815.db2.gz GXLVMJXBIDCHMX-CYBMUJFWSA-N 1 0 402.455 -0.439 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000605248826 1071052852 /nfs/dbraw/zinc/05/28/52/1071052852.db2.gz GXLVMJXBIDCHMX-ZDUSSCGKSA-N 1 0 402.455 -0.439 20 0 HBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)ccc21 ZINC000605295972 1071055006 /nfs/dbraw/zinc/05/50/06/1071055006.db2.gz QZKMDRQLFVRUIG-UHFFFAOYSA-N 1 0 415.494 -0.442 20 0 HBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc21 ZINC000605305195 1071055386 /nfs/dbraw/zinc/05/53/86/1071055386.db2.gz RCDUDBVMLUGYGI-GOSISDBHSA-N 1 0 415.494 -0.219 20 0 HBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc21 ZINC000605305196 1071055306 /nfs/dbraw/zinc/05/53/06/1071055306.db2.gz RCDUDBVMLUGYGI-SFHVURJKSA-N 1 0 415.494 -0.219 20 0 HBADRO NC(=O)[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000605321272 1071056526 /nfs/dbraw/zinc/05/65/26/1071056526.db2.gz BETMFWLHVJPEKC-INIZCTEOSA-N 1 0 400.476 -0.017 20 0 HBADRO NC(=O)[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000605321273 1071056459 /nfs/dbraw/zinc/05/64/59/1071056459.db2.gz BETMFWLHVJPEKC-MRXNPFEDSA-N 1 0 400.476 -0.017 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000605324343 1071057045 /nfs/dbraw/zinc/05/70/45/1071057045.db2.gz BJRQWBBMCHDGLH-UHFFFAOYSA-N 1 0 415.560 -0.046 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605327672 1071056902 /nfs/dbraw/zinc/05/69/02/1071056902.db2.gz XVOLEEVTXYDCOD-DLBZAZTESA-N 1 0 415.560 -0.046 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605327673 1071057012 /nfs/dbraw/zinc/05/70/12/1071057012.db2.gz XVOLEEVTXYDCOD-IAGOWNOFSA-N 1 0 415.560 -0.046 20 0 HBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605327674 1071057096 /nfs/dbraw/zinc/05/70/96/1071057096.db2.gz XVOLEEVTXYDCOD-IRXDYDNUSA-N 1 0 415.560 -0.046 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605327675 1071056812 /nfs/dbraw/zinc/05/68/12/1071056812.db2.gz XVOLEEVTXYDCOD-SJORKVTESA-N 1 0 415.560 -0.046 20 0 HBADRO CC[N@H+](CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000605327695 1071056796 /nfs/dbraw/zinc/05/67/96/1071056796.db2.gz YXHRPFMLPKCSIQ-UHFFFAOYSA-N 1 0 403.549 -0.189 20 0 HBADRO CC[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605348099 1071057570 /nfs/dbraw/zinc/05/75/70/1071057570.db2.gz PQIXOKBUXZHIRB-UHFFFAOYSA-N 1 0 403.549 -0.189 20 0 HBADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605349288 1071062722 /nfs/dbraw/zinc/06/27/22/1071062722.db2.gz FZEDGPCMHSLJQL-HNNXBMFYSA-N 1 0 415.560 -0.189 20 0 HBADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605349289 1071062883 /nfs/dbraw/zinc/06/28/83/1071062883.db2.gz FZEDGPCMHSLJQL-OAHLLOKOSA-N 1 0 415.560 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605350061 1071063442 /nfs/dbraw/zinc/06/34/42/1071063442.db2.gz CQPSOMMPISUWQO-INIZCTEOSA-N 1 0 403.549 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605350062 1071063406 /nfs/dbraw/zinc/06/34/06/1071063406.db2.gz CQPSOMMPISUWQO-MRXNPFEDSA-N 1 0 403.549 -0.189 20 0 HBADRO C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000605351680 1071063433 /nfs/dbraw/zinc/06/34/33/1071063433.db2.gz IRFTUHYKZJLDTA-AWEZNQCLSA-N 1 0 403.549 -0.190 20 0 HBADRO C[C@H](CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000605351681 1071063326 /nfs/dbraw/zinc/06/33/26/1071063326.db2.gz IRFTUHYKZJLDTA-CQSZACIVSA-N 1 0 403.549 -0.190 20 0 HBADRO C[NH+]1CCC(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605351682 1071063386 /nfs/dbraw/zinc/06/33/86/1071063386.db2.gz IVWOZFNDVXGCRY-UHFFFAOYSA-N 1 0 403.549 -0.331 20 0 HBADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605351890 1068227804 /nfs/dbraw/zinc/22/78/04/1068227804.db2.gz CVJMPTHTCDMOKL-HNNXBMFYSA-N 1 0 403.549 -0.331 20 0 HBADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605351891 1068228246 /nfs/dbraw/zinc/22/82/46/1068228246.db2.gz CVJMPTHTCDMOKL-OAHLLOKOSA-N 1 0 403.549 -0.331 20 0 HBADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605352779 1068227491 /nfs/dbraw/zinc/22/74/91/1068227491.db2.gz UOFWXSFJFMEWSG-HNNXBMFYSA-N 1 0 401.533 -0.436 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605352780 1068227573 /nfs/dbraw/zinc/22/75/73/1068227573.db2.gz UOFWXSFJFMEWSG-OAHLLOKOSA-N 1 0 401.533 -0.436 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000605355687 1071064231 /nfs/dbraw/zinc/06/42/31/1071064231.db2.gz ABHZNKKAEUOQKB-UHFFFAOYSA-N 1 0 415.560 -0.235 20 0 HBADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355731 1071063391 /nfs/dbraw/zinc/06/33/91/1071063391.db2.gz CTYOSWJMBZKXOE-DOTOQJQBSA-N 1 0 415.560 -0.094 20 0 HBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355732 1071063471 /nfs/dbraw/zinc/06/34/71/1071063471.db2.gz CTYOSWJMBZKXOE-NVXWUHKLSA-N 1 0 415.560 -0.094 20 0 HBADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355733 1068228597 /nfs/dbraw/zinc/22/85/97/1068228597.db2.gz CTYOSWJMBZKXOE-RDJZCZTQSA-N 1 0 415.560 -0.094 20 0 HBADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355734 1068228479 /nfs/dbraw/zinc/22/84/79/1068228479.db2.gz CTYOSWJMBZKXOE-WBVHZDCISA-N 1 0 415.560 -0.094 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355757 1071063977 /nfs/dbraw/zinc/06/39/77/1071063977.db2.gz FJHZCANELGGIGZ-UHFFFAOYSA-N 1 0 421.564 -0.753 20 0 HBADRO CN(C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000605355793 1071064164 /nfs/dbraw/zinc/06/41/64/1071064164.db2.gz JOTZQRWJPXRITL-KRWDZBQOSA-N 1 0 415.560 -0.094 20 0 HBADRO CN(C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000605355794 1071064259 /nfs/dbraw/zinc/06/42/59/1071064259.db2.gz JOTZQRWJPXRITL-QGZVFWFLSA-N 1 0 415.560 -0.094 20 0 HBADRO CC(C)[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605355825 1071064002 /nfs/dbraw/zinc/06/40/02/1071064002.db2.gz LLAYTFMZRFLMSJ-UHFFFAOYSA-N 1 0 403.549 -0.237 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000605355876 1068228265 /nfs/dbraw/zinc/22/82/65/1068228265.db2.gz PMKPTZQPSFGYDS-INIZCTEOSA-N 1 0 401.533 -0.483 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000605355877 1071063302 /nfs/dbraw/zinc/06/33/02/1071063302.db2.gz PMKPTZQPSFGYDS-MRXNPFEDSA-N 1 0 401.533 -0.483 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355884 1068228611 /nfs/dbraw/zinc/22/86/11/1068228611.db2.gz QFXYSAXOXTYPHX-HNNXBMFYSA-N 1 0 403.549 -0.237 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355885 1071063456 /nfs/dbraw/zinc/06/34/56/1071063456.db2.gz QFXYSAXOXTYPHX-OAHLLOKOSA-N 1 0 403.549 -0.237 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000605355911 1068228364 /nfs/dbraw/zinc/22/83/64/1068228364.db2.gz SNUMSCDGQBDMQF-UHFFFAOYSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000605355951 1071063269 /nfs/dbraw/zinc/06/32/69/1071063269.db2.gz VBSLDVJLUYDLER-KRWDZBQOSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000605355952 1071063369 /nfs/dbraw/zinc/06/33/69/1071063369.db2.gz VBSLDVJLUYDLER-QGZVFWFLSA-N 1 0 415.560 -0.093 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605356018 1071063485 /nfs/dbraw/zinc/06/34/85/1071063485.db2.gz ZUVYYOKVCKIYHK-INIZCTEOSA-N 1 0 403.549 -0.237 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605356019 1068228500 /nfs/dbraw/zinc/22/85/00/1068228500.db2.gz ZUVYYOKVCKIYHK-MRXNPFEDSA-N 1 0 403.549 -0.237 20 0 HBADRO O=C(CCn1cnc2sccc2c1=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605378980 1068375527 /nfs/dbraw/zinc/37/55/27/1068375527.db2.gz ZTLORLAQNQKERL-AWEZNQCLSA-N 1 0 419.507 -0.103 20 0 HBADRO O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605378981 1068375217 /nfs/dbraw/zinc/37/52/17/1068375217.db2.gz ZTLORLAQNQKERL-CQSZACIVSA-N 1 0 419.507 -0.103 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605378994 1068375623 /nfs/dbraw/zinc/37/56/23/1068375623.db2.gz APKQYVNXGPCVIO-HOTGVXAUSA-N 1 0 424.523 -0.597 20 0 HBADRO O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605379102 1068375172 /nfs/dbraw/zinc/37/51/72/1068375172.db2.gz IGGOTVHDYBMRDG-INIZCTEOSA-N 1 0 424.523 -0.596 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000605390803 1071065416 /nfs/dbraw/zinc/06/54/16/1071065416.db2.gz WBFLFAONCXTNQF-UHFFFAOYSA-N 1 0 400.501 -0.388 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000605390899 1071065323 /nfs/dbraw/zinc/06/53/23/1071065323.db2.gz CYUSWKVJAJVKNB-UHFFFAOYSA-N 1 0 424.523 -0.616 20 0 HBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000605401006 1071065987 /nfs/dbraw/zinc/06/59/87/1071065987.db2.gz ZXZDWRMOEQNUPZ-KRWDZBQOSA-N 1 0 401.577 -0.113 20 0 HBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000605401007 1071065868 /nfs/dbraw/zinc/06/58/68/1071065868.db2.gz ZXZDWRMOEQNUPZ-QGZVFWFLSA-N 1 0 401.577 -0.113 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000605401178 1071066062 /nfs/dbraw/zinc/06/60/62/1071066062.db2.gz JZGBCBHZDKTPPN-NRFANRHFSA-N 1 0 400.479 -0.427 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000605401179 1071065889 /nfs/dbraw/zinc/06/58/89/1071065889.db2.gz JZGBCBHZDKTPPN-OAQYLSRUSA-N 1 0 400.479 -0.427 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000605420331 1071064088 /nfs/dbraw/zinc/06/40/88/1071064088.db2.gz BSVLOVGSGAHOEA-UHFFFAOYSA-N 1 0 416.530 -0.600 20 0 HBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420765 1071064890 /nfs/dbraw/zinc/06/48/90/1071064890.db2.gz ZWKNEDUOUZBCDW-HNNXBMFYSA-N 1 0 412.556 -0.230 20 0 HBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000605420766 1071064958 /nfs/dbraw/zinc/06/49/58/1071064958.db2.gz ZWKNEDUOUZBCDW-OAHLLOKOSA-N 1 0 412.556 -0.230 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000605430106 1071068942 /nfs/dbraw/zinc/06/89/42/1071068942.db2.gz JTGAMTMDXRMDJK-HNNXBMFYSA-N 1 0 400.487 -0.009 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000605430107 1071069113 /nfs/dbraw/zinc/06/91/13/1071069113.db2.gz JTGAMTMDXRMDJK-OAHLLOKOSA-N 1 0 400.487 -0.009 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000605430114 1071069182 /nfs/dbraw/zinc/06/91/82/1071069182.db2.gz JUJYENSLDBVPJT-HNNXBMFYSA-N 1 0 405.499 -0.121 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000605430115 1071068872 /nfs/dbraw/zinc/06/88/72/1071068872.db2.gz JUJYENSLDBVPJT-OAHLLOKOSA-N 1 0 405.499 -0.121 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000605431239 1071068723 /nfs/dbraw/zinc/06/87/23/1071068723.db2.gz SGBPYFSXZUIGRP-CRAIPNDOSA-N 1 0 417.510 -0.474 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000605431240 1071068830 /nfs/dbraw/zinc/06/88/30/1071068830.db2.gz SGBPYFSXZUIGRP-MAUKXSAKSA-N 1 0 417.510 -0.474 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000605431241 1071069236 /nfs/dbraw/zinc/06/92/36/1071069236.db2.gz SGBPYFSXZUIGRP-QAPCUYQASA-N 1 0 417.510 -0.474 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000605431242 1071069006 /nfs/dbraw/zinc/06/90/06/1071069006.db2.gz SGBPYFSXZUIGRP-YJBOKZPZSA-N 1 0 417.510 -0.474 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C1 ZINC000605431714 1071066428 /nfs/dbraw/zinc/06/64/28/1071066428.db2.gz CUYMCVYAUNTDEU-AWEZNQCLSA-N 1 0 401.467 -0.385 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C1 ZINC000605431715 1071066255 /nfs/dbraw/zinc/06/62/55/1071066255.db2.gz CUYMCVYAUNTDEU-CQSZACIVSA-N 1 0 401.467 -0.385 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000605431779 1071066623 /nfs/dbraw/zinc/06/66/23/1071066623.db2.gz HCUGGZOVYRFPCE-CYBMUJFWSA-N 1 0 400.443 -0.696 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000605431780 1071066382 /nfs/dbraw/zinc/06/63/82/1071066382.db2.gz HCUGGZOVYRFPCE-ZDUSSCGKSA-N 1 0 400.443 -0.696 20 0 HBADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000605431923 1071066359 /nfs/dbraw/zinc/06/63/59/1071066359.db2.gz PRIFULTYOWDGHW-AWEZNQCLSA-N 1 0 419.482 -0.303 20 0 HBADRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000605431924 1071066472 /nfs/dbraw/zinc/06/64/72/1071066472.db2.gz PRIFULTYOWDGHW-CQSZACIVSA-N 1 0 419.482 -0.303 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2n(C)c1=O ZINC000605432029 1071066559 /nfs/dbraw/zinc/06/65/59/1071066559.db2.gz VEVABRQWPYIJCI-CYBMUJFWSA-N 1 0 416.482 -0.481 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2n(C)c1=O ZINC000605432030 1071066513 /nfs/dbraw/zinc/06/65/13/1071066513.db2.gz VEVABRQWPYIJCI-ZDUSSCGKSA-N 1 0 416.482 -0.481 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000605436509 1071067103 /nfs/dbraw/zinc/06/71/03/1071067103.db2.gz OYBVQJVEJXUWGR-UHFFFAOYSA-N 1 0 404.558 -0.147 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)cnc2n(C)c1=O ZINC000605486677 1071069593 /nfs/dbraw/zinc/06/95/93/1071069593.db2.gz CSSMKFZODLNEIW-UHFFFAOYSA-N 1 0 401.467 -0.183 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](CC3CCOCC3)CC1)c(=O)n2C ZINC000605487588 1071069779 /nfs/dbraw/zinc/06/97/79/1071069779.db2.gz YMWZBJQEDVJNRL-UHFFFAOYSA-N 1 0 404.471 -0.996 20 0 HBADRO Cn1c2ncn(CCC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000605488357 1071069894 /nfs/dbraw/zinc/06/98/94/1071069894.db2.gz ZEJQVCBFVPRAFG-UHFFFAOYSA-N 1 0 418.498 -0.605 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)nc2n(C)c1=O ZINC000605490466 1071069813 /nfs/dbraw/zinc/06/98/13/1071069813.db2.gz SAVUETABUSCDQA-UHFFFAOYSA-N 1 0 401.467 -0.183 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000605542757 1071069575 /nfs/dbraw/zinc/06/95/75/1071069575.db2.gz FKFMBTKXDUTGSK-UHFFFAOYSA-N 1 0 414.528 -0.377 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000605543268 1071069941 /nfs/dbraw/zinc/06/99/41/1071069941.db2.gz MUAYVNIGLXVVFV-UHFFFAOYSA-N 1 0 401.485 -0.123 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000605543360 1071069687 /nfs/dbraw/zinc/06/96/87/1071069687.db2.gz XCLPPVBGXDVLEY-UHFFFAOYSA-N 1 0 424.523 -0.616 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)c(=O)n2C ZINC000605557671 1071076663 /nfs/dbraw/zinc/07/66/63/1071076663.db2.gz MEAPEOYGDVPUIV-CYBMUJFWSA-N 1 0 404.471 -0.949 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)c(=O)n2C ZINC000605557675 1071076749 /nfs/dbraw/zinc/07/67/49/1071076749.db2.gz MEAPEOYGDVPUIV-ZDUSSCGKSA-N 1 0 404.471 -0.949 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)nc2n(C)c1=O ZINC000605559338 1071076608 /nfs/dbraw/zinc/07/66/08/1071076608.db2.gz FXFCOTSOUXYTHB-CYBMUJFWSA-N 1 0 401.467 -0.137 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc2n(C)c1=O ZINC000605559349 1071076767 /nfs/dbraw/zinc/07/67/67/1071076767.db2.gz FXFCOTSOUXYTHB-ZDUSSCGKSA-N 1 0 401.467 -0.137 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563259 1071075302 /nfs/dbraw/zinc/07/53/02/1071075302.db2.gz MUXSSGQLSYHFPR-IBGZPJMESA-N 1 0 408.543 -0.262 20 0 HBADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563260 1071075492 /nfs/dbraw/zinc/07/54/92/1071075492.db2.gz MUXSSGQLSYHFPR-LJQANCHMSA-N 1 0 408.543 -0.262 20 0 HBADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563523 1071075575 /nfs/dbraw/zinc/07/55/75/1071075575.db2.gz SFBUNIWRKLKCDL-DLBZAZTESA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563524 1071075545 /nfs/dbraw/zinc/07/55/45/1071075545.db2.gz SFBUNIWRKLKCDL-IAGOWNOFSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563525 1071075349 /nfs/dbraw/zinc/07/53/49/1071075349.db2.gz SFBUNIWRKLKCDL-IRXDYDNUSA-N 1 0 413.540 -0.407 20 0 HBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563526 1071075239 /nfs/dbraw/zinc/07/52/39/1071075239.db2.gz SFBUNIWRKLKCDL-SJORKVTESA-N 1 0 413.540 -0.407 20 0 HBADRO Cn1c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000605563591 1071075634 /nfs/dbraw/zinc/07/56/34/1071075634.db2.gz KCHJUCNUTMSHJL-UHFFFAOYSA-N 1 0 403.483 -0.240 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605604364 1071076787 /nfs/dbraw/zinc/07/67/87/1071076787.db2.gz WKNLCCNZPSJIPL-INIZCTEOSA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605604365 1071076526 /nfs/dbraw/zinc/07/65/26/1071076526.db2.gz WKNLCCNZPSJIPL-MRXNPFEDSA-N 1 0 417.576 -0.636 20 0 HBADRO COCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605604930 1071076461 /nfs/dbraw/zinc/07/64/61/1071076461.db2.gz YLORDTUJXBVPEI-UHFFFAOYSA-N 1 0 406.549 -0.163 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605607174 1069111791 /nfs/dbraw/zinc/11/17/91/1069111791.db2.gz ANRJMPFEZRDGKE-HNNXBMFYSA-N 1 0 407.515 -0.380 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605607184 1071076718 /nfs/dbraw/zinc/07/67/18/1071076718.db2.gz ANRJMPFEZRDGKE-OAHLLOKOSA-N 1 0 407.515 -0.380 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605607190 1071077030 /nfs/dbraw/zinc/07/70/30/1071077030.db2.gz ANYDLIBORJDXOI-HNNXBMFYSA-N 1 0 403.549 -0.379 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605607193 1071076994 /nfs/dbraw/zinc/07/69/94/1071076994.db2.gz ANYDLIBORJDXOI-OAHLLOKOSA-N 1 0 403.549 -0.379 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605607295 1071076622 /nfs/dbraw/zinc/07/66/22/1071076622.db2.gz FWIXXONIIOPNCA-GOSISDBHSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605607298 1071076513 /nfs/dbraw/zinc/07/65/13/1071076513.db2.gz FWIXXONIIOPNCA-SFHVURJKSA-N 1 0 423.558 -0.327 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000605608045 1071077163 /nfs/dbraw/zinc/07/71/63/1071077163.db2.gz OVLMJYUOOPJKCE-KRWDZBQOSA-N 1 0 421.542 -0.037 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000605608046 1069155551 /nfs/dbraw/zinc/15/55/51/1069155551.db2.gz OVLMJYUOOPJKCE-QGZVFWFLSA-N 1 0 421.542 -0.037 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605609696 1071077273 /nfs/dbraw/zinc/07/72/73/1071077273.db2.gz RFJHWLOUKBKDRV-INIZCTEOSA-N 1 0 409.531 -0.134 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605609697 1071077075 /nfs/dbraw/zinc/07/70/75/1071077075.db2.gz RFJHWLOUKBKDRV-MRXNPFEDSA-N 1 0 409.531 -0.134 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000605850026 1071079576 /nfs/dbraw/zinc/07/95/76/1071079576.db2.gz UFMWTJSCXLFFHI-KRWDZBQOSA-N 1 0 403.483 -0.222 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000605850027 1071079430 /nfs/dbraw/zinc/07/94/30/1071079430.db2.gz UFMWTJSCXLFFHI-QGZVFWFLSA-N 1 0 403.483 -0.222 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605875581 1071079359 /nfs/dbraw/zinc/07/93/59/1071079359.db2.gz BMNYPCWZFQENQU-INIZCTEOSA-N 1 0 419.548 -0.952 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000605875620 1071079482 /nfs/dbraw/zinc/07/94/82/1071079482.db2.gz BMNYPCWZFQENQU-MRXNPFEDSA-N 1 0 419.548 -0.952 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000605876885 1071080286 /nfs/dbraw/zinc/08/02/86/1071080286.db2.gz FKYXNFFEKFHUTH-AWEZNQCLSA-N 1 0 413.500 -0.447 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000605876893 1071080191 /nfs/dbraw/zinc/08/01/91/1071080191.db2.gz FKYXNFFEKFHUTH-CQSZACIVSA-N 1 0 413.500 -0.447 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877478 1071079961 /nfs/dbraw/zinc/07/99/61/1071079961.db2.gz GWDBEOAGVDLMTI-GOSISDBHSA-N 1 0 422.574 -0.659 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877499 1071080412 /nfs/dbraw/zinc/08/04/12/1071080412.db2.gz GWDBEOAGVDLMTI-SFHVURJKSA-N 1 0 422.574 -0.659 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605879692 1071080368 /nfs/dbraw/zinc/08/03/68/1071080368.db2.gz KRASRJQJTDIZLT-KRWDZBQOSA-N 1 0 408.547 -0.430 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605879699 1071080033 /nfs/dbraw/zinc/08/00/33/1071080033.db2.gz KRASRJQJTDIZLT-QGZVFWFLSA-N 1 0 408.547 -0.430 20 0 HBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605883363 1069224178 /nfs/dbraw/zinc/22/41/78/1069224178.db2.gz RKEJZOVUXROWKQ-INIZCTEOSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605883375 1071078185 /nfs/dbraw/zinc/07/81/85/1071078185.db2.gz RKEJZOVUXROWKQ-MRXNPFEDSA-N 1 0 415.560 -0.093 20 0 HBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000605883778 1071078532 /nfs/dbraw/zinc/07/85/32/1071078532.db2.gz TUJDXMHRNGQDLM-INIZCTEOSA-N 1 0 407.515 -0.284 20 0 HBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000605883789 1071078312 /nfs/dbraw/zinc/07/83/12/1071078312.db2.gz TUJDXMHRNGQDLM-MRXNPFEDSA-N 1 0 407.515 -0.284 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605884960 1071078508 /nfs/dbraw/zinc/07/85/08/1071078508.db2.gz QMJHZZYEVOFXNG-INIZCTEOSA-N 1 0 401.533 -0.625 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605884969 1071078441 /nfs/dbraw/zinc/07/84/41/1071078441.db2.gz QMJHZZYEVOFXNG-MRXNPFEDSA-N 1 0 401.533 -0.625 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000605884972 1071078354 /nfs/dbraw/zinc/07/83/54/1071078354.db2.gz QPNCZXMVPINEKZ-KRWDZBQOSA-N 1 0 414.576 -0.710 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000605885002 1071078219 /nfs/dbraw/zinc/07/82/19/1071078219.db2.gz QPNCZXMVPINEKZ-QGZVFWFLSA-N 1 0 414.576 -0.710 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605933434 1069554812 /nfs/dbraw/zinc/55/48/12/1069554812.db2.gz IOLJNPYNJUSCON-UHFFFAOYSA-N 1 0 407.519 -0.109 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605933474 1069544440 /nfs/dbraw/zinc/54/44/40/1069544440.db2.gz JYECCHWAXHPXHJ-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605934281 1071080164 /nfs/dbraw/zinc/08/01/64/1071080164.db2.gz GORQKRLJWLWYJP-INIZCTEOSA-N 1 0 408.503 -0.044 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605934286 1069587224 /nfs/dbraw/zinc/58/72/24/1069587224.db2.gz GORQKRLJWLWYJP-MRXNPFEDSA-N 1 0 408.503 -0.044 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605934974 1069554007 /nfs/dbraw/zinc/55/40/07/1069554007.db2.gz JWGFJJIQZCGOQE-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1)N1CCOCC1 ZINC000605935326 1071080876 /nfs/dbraw/zinc/08/08/76/1071080876.db2.gz SQOPRLNJHDIFPO-CVEARBPZSA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1)N1CCOCC1 ZINC000605935330 1071081005 /nfs/dbraw/zinc/08/10/05/1071081005.db2.gz SQOPRLNJHDIFPO-HOTGVXAUSA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1)N1CCOCC1 ZINC000605935332 1071080924 /nfs/dbraw/zinc/08/09/24/1071080924.db2.gz SQOPRLNJHDIFPO-HZPDHXFCSA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1)N1CCOCC1 ZINC000605935333 1071081048 /nfs/dbraw/zinc/08/10/48/1071081048.db2.gz SQOPRLNJHDIFPO-JKSUJKDBSA-N 1 0 406.487 -0.195 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000605968588 1071082294 /nfs/dbraw/zinc/08/22/94/1071082294.db2.gz PDZZFDCLLRNMQB-HNNXBMFYSA-N 1 0 403.549 -0.346 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000605968589 1071082403 /nfs/dbraw/zinc/08/24/03/1071082403.db2.gz PDZZFDCLLRNMQB-OAHLLOKOSA-N 1 0 403.549 -0.346 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605969052 1071083059 /nfs/dbraw/zinc/08/30/59/1071083059.db2.gz ASGDPEVLSMCMQD-UHFFFAOYSA-N 1 0 417.576 -0.683 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605979421 1071081707 /nfs/dbraw/zinc/08/17/07/1071081707.db2.gz CGVXELZBXCKGEN-HNNXBMFYSA-N 1 0 406.491 -0.972 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605979434 1071081496 /nfs/dbraw/zinc/08/14/96/1071081496.db2.gz CGVXELZBXCKGEN-OAHLLOKOSA-N 1 0 406.491 -0.972 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000605982894 1071081768 /nfs/dbraw/zinc/08/17/68/1071081768.db2.gz HIOUGVPXSOJJHW-IBGZPJMESA-N 1 0 422.574 -0.121 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000605982895 1071081513 /nfs/dbraw/zinc/08/15/13/1071081513.db2.gz HIOUGVPXSOJJHW-LJQANCHMSA-N 1 0 422.574 -0.121 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605983591 1071081785 /nfs/dbraw/zinc/08/17/85/1071081785.db2.gz OHSYNBCBXCIQRW-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000605984120 1071081598 /nfs/dbraw/zinc/08/15/98/1071081598.db2.gz XUMNUMHNYQSLAI-UHFFFAOYSA-N 1 0 424.546 -0.737 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000605984168 1071081415 /nfs/dbraw/zinc/08/14/15/1071081415.db2.gz XYKIZHLTRMNGOP-UHFFFAOYSA-N 1 0 410.563 -0.265 20 0 HBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605986560 1071082168 /nfs/dbraw/zinc/08/21/68/1071082168.db2.gz ZZGCYXAZEDRMAO-IBGZPJMESA-N 1 0 424.590 -0.412 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605986561 1071082466 /nfs/dbraw/zinc/08/24/66/1071082466.db2.gz ZZGCYXAZEDRMAO-LJQANCHMSA-N 1 0 424.590 -0.412 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000605988603 1071082334 /nfs/dbraw/zinc/08/23/34/1071082334.db2.gz OLVPMIWYZXSAOV-GOSISDBHSA-N 1 0 408.547 -0.511 20 0 HBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000605988605 1071082078 /nfs/dbraw/zinc/08/20/78/1071082078.db2.gz OLVPMIWYZXSAOV-SFHVURJKSA-N 1 0 408.547 -0.511 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000605998842 1071084174 /nfs/dbraw/zinc/08/41/74/1071084174.db2.gz PVPYQKJLZGBODY-AWEZNQCLSA-N 1 0 416.475 -0.115 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000605998850 1071084454 /nfs/dbraw/zinc/08/44/54/1071084454.db2.gz PVPYQKJLZGBODY-CQSZACIVSA-N 1 0 416.475 -0.115 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000606003800 1071084437 /nfs/dbraw/zinc/08/44/37/1071084437.db2.gz OIWCXPGNOXTLNQ-UHFFFAOYSA-N 1 0 419.482 -0.120 20 0 HBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1OC ZINC000606006288 1071084969 /nfs/dbraw/zinc/08/49/69/1071084969.db2.gz GPFAVDBYGNPRHU-GFCCVEGCSA-N 1 0 402.473 -0.566 20 0 HBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1OC ZINC000606006289 1071085213 /nfs/dbraw/zinc/08/52/13/1071085213.db2.gz GPFAVDBYGNPRHU-LBPRGKRZSA-N 1 0 402.473 -0.566 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000606006306 1071085087 /nfs/dbraw/zinc/08/50/87/1071085087.db2.gz GWUIVVQMJHEKGB-AWEZNQCLSA-N 1 0 412.512 -0.162 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000606006308 1071084990 /nfs/dbraw/zinc/08/49/90/1071084990.db2.gz GWUIVVQMJHEKGB-CQSZACIVSA-N 1 0 412.512 -0.162 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000606006461 1071085199 /nfs/dbraw/zinc/08/51/99/1071085199.db2.gz KERGWCYVJREDIN-GFCCVEGCSA-N 1 0 418.903 -0.143 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000606006472 1071085250 /nfs/dbraw/zinc/08/52/50/1071085250.db2.gz KERGWCYVJREDIN-LBPRGKRZSA-N 1 0 418.903 -0.143 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000606006684 1071085116 /nfs/dbraw/zinc/08/51/16/1071085116.db2.gz RXMHLLKMXAPWTL-UHFFFAOYSA-N 1 0 404.450 -0.118 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000606007623 1071085326 /nfs/dbraw/zinc/08/53/26/1071085326.db2.gz ZDTJRWIIYGLGSP-CVEARBPZSA-N 1 0 407.471 -0.036 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000606007624 1071085294 /nfs/dbraw/zinc/08/52/94/1071085294.db2.gz ZDTJRWIIYGLGSP-HOTGVXAUSA-N 1 0 407.471 -0.036 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000606007626 1071085021 /nfs/dbraw/zinc/08/50/21/1071085021.db2.gz ZDTJRWIIYGLGSP-HZPDHXFCSA-N 1 0 407.471 -0.036 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000606007628 1071085045 /nfs/dbraw/zinc/08/50/45/1071085045.db2.gz ZDTJRWIIYGLGSP-JKSUJKDBSA-N 1 0 407.471 -0.036 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000606009890 1071085592 /nfs/dbraw/zinc/08/55/92/1071085592.db2.gz KINRMYXNQYSTNZ-UHFFFAOYSA-N 1 0 411.528 -0.357 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000606011252 1071085891 /nfs/dbraw/zinc/08/58/91/1071085891.db2.gz LDGKXWJYIAGENI-AWEZNQCLSA-N 1 0 411.528 -0.277 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000606011253 1071085540 /nfs/dbraw/zinc/08/55/40/1071085540.db2.gz LDGKXWJYIAGENI-CQSZACIVSA-N 1 0 411.528 -0.277 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000606013422 1071082848 /nfs/dbraw/zinc/08/28/48/1071082848.db2.gz KIFXPWRZEPYHMX-UHFFFAOYSA-N 1 0 412.512 -0.097 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000606016820 1071082919 /nfs/dbraw/zinc/08/29/19/1071082919.db2.gz FUFXAVOUBXPKFE-UHFFFAOYSA-N 1 0 400.501 -0.026 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000606029151 1071086252 /nfs/dbraw/zinc/08/62/52/1071086252.db2.gz REUWZDBTKJHSGY-UHFFFAOYSA-N 1 0 409.512 -0.488 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000606032486 1071086854 /nfs/dbraw/zinc/08/68/54/1071086854.db2.gz YHIFKJMHOLVYOC-HNNXBMFYSA-N 1 0 410.496 -0.014 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000606032487 1071086630 /nfs/dbraw/zinc/08/66/30/1071086630.db2.gz YHIFKJMHOLVYOC-OAHLLOKOSA-N 1 0 410.496 -0.014 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000606034593 1071087156 /nfs/dbraw/zinc/08/71/56/1071087156.db2.gz YJAXEVNIGBGFHW-UHFFFAOYSA-N 1 0 410.496 -0.157 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606060706 1071091094 /nfs/dbraw/zinc/09/10/94/1071091094.db2.gz FNIYGRKQVTYGGW-AWEZNQCLSA-N 1 0 416.475 -0.019 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606060709 1071090936 /nfs/dbraw/zinc/09/09/36/1071090936.db2.gz FNIYGRKQVTYGGW-CQSZACIVSA-N 1 0 416.475 -0.019 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606070156 1071089051 /nfs/dbraw/zinc/08/90/51/1071089051.db2.gz FFYDXGDKNPXHKJ-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000606071627 1071088951 /nfs/dbraw/zinc/08/89/51/1071088951.db2.gz ANCRUFJMLKPNFH-UHFFFAOYSA-N 1 0 400.501 -0.074 20 0 HBADRO CCc1ccc(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000606072014 1071088989 /nfs/dbraw/zinc/08/89/89/1071088989.db2.gz LGVNTDDCLPSOFI-UHFFFAOYSA-N 1 0 400.501 -0.129 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000606072761 1071088865 /nfs/dbraw/zinc/08/88/65/1071088865.db2.gz QKHAICALYRQNNX-UHFFFAOYSA-N 1 0 400.501 -0.289 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606073369 1071088841 /nfs/dbraw/zinc/08/88/41/1071088841.db2.gz VDRXPVFIINFVOI-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1S(N)(=O)=O ZINC000606078869 1071089589 /nfs/dbraw/zinc/08/95/89/1071089589.db2.gz BREAWCQLWHDBLK-HNNXBMFYSA-N 1 0 412.512 -0.210 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1S(N)(=O)=O ZINC000606078870 1071089597 /nfs/dbraw/zinc/08/95/97/1071089597.db2.gz BREAWCQLWHDBLK-OAHLLOKOSA-N 1 0 412.512 -0.210 20 0 HBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606079854 1071089863 /nfs/dbraw/zinc/08/98/63/1071089863.db2.gz ZMVCLVGHBPOIGR-AWEZNQCLSA-N 1 0 416.475 -0.379 20 0 HBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606079855 1071089707 /nfs/dbraw/zinc/08/97/07/1071089707.db2.gz ZMVCLVGHBPOIGR-CQSZACIVSA-N 1 0 416.475 -0.379 20 0 HBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606080455 1071089675 /nfs/dbraw/zinc/08/96/75/1071089675.db2.gz JGZFGKQXGKYTMT-UHFFFAOYSA-N 1 0 416.475 -0.019 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1S(N)(=O)=O ZINC000606089440 1071090909 /nfs/dbraw/zinc/09/09/09/1071090909.db2.gz CUJWVHDARFCPQM-INIZCTEOSA-N 1 0 423.539 -0.181 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1S(N)(=O)=O ZINC000606089443 1071091010 /nfs/dbraw/zinc/09/10/10/1071091010.db2.gz CUJWVHDARFCPQM-MRXNPFEDSA-N 1 0 423.539 -0.181 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)C1 ZINC000606089445 1071091075 /nfs/dbraw/zinc/09/10/75/1071091075.db2.gz CVDWNQXAUMHDAY-HNNXBMFYSA-N 1 0 416.461 -0.022 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)C1 ZINC000606089451 1071091182 /nfs/dbraw/zinc/09/11/82/1071091182.db2.gz CVDWNQXAUMHDAY-OAHLLOKOSA-N 1 0 416.461 -0.022 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1S(N)(=O)=O ZINC000606089684 1071090358 /nfs/dbraw/zinc/09/03/58/1071090358.db2.gz IUEJHRJFGKXICV-UHFFFAOYSA-N 1 0 412.512 -0.114 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000606090431 1071090970 /nfs/dbraw/zinc/09/09/70/1071090970.db2.gz SEKWTADFEBEMDD-HNNXBMFYSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000606090434 1071091208 /nfs/dbraw/zinc/09/12/08/1071091208.db2.gz SEKWTADFEBEMDD-OAHLLOKOSA-N 1 0 409.512 -0.489 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606090602 1071091160 /nfs/dbraw/zinc/09/11/60/1071091160.db2.gz WQXLJQUSISZNHD-UHFFFAOYSA-N 1 0 416.475 -0.283 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000606094088 1071096612 /nfs/dbraw/zinc/09/66/12/1071096612.db2.gz GHDJMIPBZDWMAP-KRWDZBQOSA-N 1 0 419.482 -0.121 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCO1 ZINC000606094097 1071096770 /nfs/dbraw/zinc/09/67/70/1071096770.db2.gz GHDJMIPBZDWMAP-QGZVFWFLSA-N 1 0 419.482 -0.121 20 0 HBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000606099731 1071096740 /nfs/dbraw/zinc/09/67/40/1071096740.db2.gz RDZREZRVZQMYKS-UHFFFAOYSA-N 1 0 410.496 -0.157 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000606106662 1071097441 /nfs/dbraw/zinc/09/74/41/1071097441.db2.gz BIXYNPDMKHNKOR-HNNXBMFYSA-N 1 0 423.539 -0.371 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000606106663 1071097265 /nfs/dbraw/zinc/09/72/65/1071097265.db2.gz BIXYNPDMKHNKOR-OAHLLOKOSA-N 1 0 423.539 -0.371 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000606107433 1071097746 /nfs/dbraw/zinc/09/77/46/1071097746.db2.gz YRVQLFZXVPORGC-AWEZNQCLSA-N 1 0 410.496 -0.286 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000606107438 1071097947 /nfs/dbraw/zinc/09/79/47/1071097947.db2.gz YRVQLFZXVPORGC-CQSZACIVSA-N 1 0 410.496 -0.286 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000606107902 1071097214 /nfs/dbraw/zinc/09/72/14/1071097214.db2.gz GIHNGCNUOWBFGX-INIZCTEOSA-N 1 0 417.510 -0.245 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000606107903 1071097481 /nfs/dbraw/zinc/09/74/81/1071097481.db2.gz GIHNGCNUOWBFGX-MRXNPFEDSA-N 1 0 417.510 -0.245 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000606107936 1071097510 /nfs/dbraw/zinc/09/75/10/1071097510.db2.gz JYPWEOWMTDRWNR-CRAIPNDOSA-N 1 0 416.478 -0.293 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000606107937 1071097156 /nfs/dbraw/zinc/09/71/56/1071097156.db2.gz JYPWEOWMTDRWNR-MAUKXSAKSA-N 1 0 416.478 -0.293 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000606107938 1071097326 /nfs/dbraw/zinc/09/73/26/1071097326.db2.gz JYPWEOWMTDRWNR-QAPCUYQASA-N 1 0 416.478 -0.293 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000606107939 1071097909 /nfs/dbraw/zinc/09/79/09/1071097909.db2.gz JYPWEOWMTDRWNR-YJBOKZPZSA-N 1 0 416.478 -0.293 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000606108170 1071098027 /nfs/dbraw/zinc/09/80/27/1071098027.db2.gz LTACFVUSJDHLOF-HNNXBMFYSA-N 1 0 423.539 -0.371 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000606108171 1071097830 /nfs/dbraw/zinc/09/78/30/1071097830.db2.gz LTACFVUSJDHLOF-OAHLLOKOSA-N 1 0 423.539 -0.371 20 0 HBADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000606108577 1071097723 /nfs/dbraw/zinc/09/77/23/1071097723.db2.gz WMRYBAUWAJGUGP-AWEZNQCLSA-N 1 0 410.496 -0.286 20 0 HBADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000606108578 1071097991 /nfs/dbraw/zinc/09/79/91/1071097991.db2.gz WMRYBAUWAJGUGP-CQSZACIVSA-N 1 0 410.496 -0.286 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc2)CC1 ZINC000606108924 1071097794 /nfs/dbraw/zinc/09/77/94/1071097794.db2.gz NFDVURQYVVKEPP-UHFFFAOYSA-N 1 0 411.528 -0.443 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c(C)c2)CC1 ZINC000606109372 1071098525 /nfs/dbraw/zinc/09/85/25/1071098525.db2.gz YSGNPZJUEWPWAY-UHFFFAOYSA-N 1 0 411.528 -0.130 20 0 HBADRO NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000606109608 1071098449 /nfs/dbraw/zinc/09/84/49/1071098449.db2.gz NLVMTTRSCMNLGI-UHFFFAOYSA-N 1 0 400.526 -0.031 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2n(C)c1=O ZINC000606119617 1071093265 /nfs/dbraw/zinc/09/32/65/1071093265.db2.gz CGUXLWARMVHCDZ-AWEZNQCLSA-N 1 0 402.455 -0.729 20 0 HBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2n(C)c1=O ZINC000606119618 1071093735 /nfs/dbraw/zinc/09/37/35/1071093735.db2.gz CGUXLWARMVHCDZ-CQSZACIVSA-N 1 0 402.455 -0.729 20 0 HBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000606119974 1071092935 /nfs/dbraw/zinc/09/29/35/1071092935.db2.gz HIURUPRVGXEAGG-HNNXBMFYSA-N 1 0 400.443 -0.635 20 0 HBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000606119977 1071092753 /nfs/dbraw/zinc/09/27/53/1071092753.db2.gz HIURUPRVGXEAGG-OAHLLOKOSA-N 1 0 400.443 -0.635 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000606120000 1069274932 /nfs/dbraw/zinc/27/49/32/1069274932.db2.gz INDLXHQWKCFPMQ-AWEZNQCLSA-N 1 0 402.455 -0.175 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000606120001 1071092708 /nfs/dbraw/zinc/09/27/08/1071092708.db2.gz INDLXHQWKCFPMQ-CQSZACIVSA-N 1 0 402.455 -0.175 20 0 HBADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000606120081 1071092602 /nfs/dbraw/zinc/09/26/02/1071092602.db2.gz NWRKYXBSIKXPQZ-HNNXBMFYSA-N 1 0 410.496 -0.207 20 0 HBADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000606120082 1071092449 /nfs/dbraw/zinc/09/24/49/1071092449.db2.gz NWRKYXBSIKXPQZ-OAHLLOKOSA-N 1 0 410.496 -0.207 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000606120399 1071093652 /nfs/dbraw/zinc/09/36/52/1071093652.db2.gz VGZQMIZGHQBJPM-INIZCTEOSA-N 1 0 401.467 -0.027 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000606120400 1071093320 /nfs/dbraw/zinc/09/33/20/1071093320.db2.gz VGZQMIZGHQBJPM-MRXNPFEDSA-N 1 0 401.467 -0.027 20 0 HBADRO CC(=O)N1CCc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc21 ZINC000606120669 1071093428 /nfs/dbraw/zinc/09/34/28/1071093428.db2.gz BQYCYKAKXVBERT-KRWDZBQOSA-N 1 0 401.467 -0.010 20 0 HBADRO CC(=O)N1CCc2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc21 ZINC000606120671 1071093756 /nfs/dbraw/zinc/09/37/56/1071093756.db2.gz BQYCYKAKXVBERT-QGZVFWFLSA-N 1 0 401.467 -0.010 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000606120734 1071093716 /nfs/dbraw/zinc/09/37/16/1071093716.db2.gz CXLXVIHODHEWNF-GOSISDBHSA-N 1 0 417.510 -0.087 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000606120737 1071093596 /nfs/dbraw/zinc/09/35/96/1071093596.db2.gz CXLXVIHODHEWNF-SFHVURJKSA-N 1 0 417.510 -0.087 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606120903 1071093785 /nfs/dbraw/zinc/09/37/85/1071093785.db2.gz ZYWKMUJUYJMAIH-HNNXBMFYSA-N 1 0 403.418 -0.199 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000606120904 1071093676 /nfs/dbraw/zinc/09/36/76/1071093676.db2.gz ZYWKMUJUYJMAIH-OAHLLOKOSA-N 1 0 403.418 -0.199 20 0 HBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000606121270 1071094287 /nfs/dbraw/zinc/09/42/87/1071094287.db2.gz LIBQMPGBDPMKHE-INIZCTEOSA-N 1 0 419.482 -0.452 20 0 HBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000606121277 1071094358 /nfs/dbraw/zinc/09/43/58/1071094358.db2.gz LIBQMPGBDPMKHE-MRXNPFEDSA-N 1 0 419.482 -0.452 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1-n1cnnn1 ZINC000606121931 1071093771 /nfs/dbraw/zinc/09/37/71/1071093771.db2.gz RNUORZLLQOUILB-HNNXBMFYSA-N 1 0 400.443 -0.635 20 0 HBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1-n1cnnn1 ZINC000606121932 1071093629 /nfs/dbraw/zinc/09/36/29/1071093629.db2.gz RNUORZLLQOUILB-OAHLLOKOSA-N 1 0 400.443 -0.635 20 0 HBADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1F ZINC000606121982 1071093479 /nfs/dbraw/zinc/09/34/79/1071093479.db2.gz SQJMGFLPGUBXJP-AWEZNQCLSA-N 1 0 418.433 -0.496 20 0 HBADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1F ZINC000606121984 1071093697 /nfs/dbraw/zinc/09/36/97/1071093697.db2.gz SQJMGFLPGUBXJP-CQSZACIVSA-N 1 0 418.433 -0.496 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000606122434 1071094203 /nfs/dbraw/zinc/09/42/03/1071094203.db2.gz VZEBABJAZFKRKF-KRWDZBQOSA-N 1 0 403.483 -0.082 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000606122437 1071094394 /nfs/dbraw/zinc/09/43/94/1071094394.db2.gz VZEBABJAZFKRKF-QGZVFWFLSA-N 1 0 403.483 -0.082 20 0 HBADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000606122505 1071094480 /nfs/dbraw/zinc/09/44/80/1071094480.db2.gz XZIGBKAQQVHCOU-HNNXBMFYSA-N 1 0 410.496 -0.207 20 0 HBADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000606122506 1069274646 /nfs/dbraw/zinc/27/46/46/1069274646.db2.gz XZIGBKAQQVHCOU-OAHLLOKOSA-N 1 0 410.496 -0.207 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000606123635 1071094990 /nfs/dbraw/zinc/09/49/90/1071094990.db2.gz CKYNQSVWNIYWCN-HNNXBMFYSA-N 1 0 419.482 -0.452 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000606123644 1069274903 /nfs/dbraw/zinc/27/49/03/1069274903.db2.gz CKYNQSVWNIYWCN-OAHLLOKOSA-N 1 0 419.482 -0.452 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000606124296 1071098514 /nfs/dbraw/zinc/09/85/14/1071098514.db2.gz JSTICUVFGOGSMP-INIZCTEOSA-N 1 0 403.483 -0.418 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000606124297 1071098364 /nfs/dbraw/zinc/09/83/64/1071098364.db2.gz JSTICUVFGOGSMP-MRXNPFEDSA-N 1 0 403.483 -0.418 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000606125102 1071094970 /nfs/dbraw/zinc/09/49/70/1071094970.db2.gz SUCVWXRUZSFUEY-INIZCTEOSA-N 1 0 419.482 -0.581 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000606125108 1071095398 /nfs/dbraw/zinc/09/53/98/1071095398.db2.gz SUCVWXRUZSFUEY-MRXNPFEDSA-N 1 0 419.482 -0.581 20 0 HBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000606125212 1071100080 /nfs/dbraw/zinc/10/00/80/1071100080.db2.gz WRHSWENLGBLAHK-INIZCTEOSA-N 1 0 419.482 -0.581 20 0 HBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000606125213 1071100027 /nfs/dbraw/zinc/10/00/27/1071100027.db2.gz WRHSWENLGBLAHK-MRXNPFEDSA-N 1 0 419.482 -0.581 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000606128380 1071100944 /nfs/dbraw/zinc/10/09/44/1071100944.db2.gz CAWQGWYVMRPHDG-AWEZNQCLSA-N 1 0 416.475 -0.235 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000606128382 1071100770 /nfs/dbraw/zinc/10/07/70/1071100770.db2.gz CAWQGWYVMRPHDG-CQSZACIVSA-N 1 0 416.475 -0.235 20 0 HBADRO COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606129994 1071100986 /nfs/dbraw/zinc/10/09/86/1071100986.db2.gz CFHQOHHCQHAJCG-IBGZPJMESA-N 1 0 408.455 -0.002 20 0 HBADRO COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606130002 1071100891 /nfs/dbraw/zinc/10/08/91/1071100891.db2.gz CFHQOHHCQHAJCG-LJQANCHMSA-N 1 0 408.455 -0.002 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000606130235 1071101769 /nfs/dbraw/zinc/10/17/69/1071101769.db2.gz WWEJNBXNCCYPBR-HNNXBMFYSA-N 1 0 412.512 -0.114 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000606130237 1071101840 /nfs/dbraw/zinc/10/18/40/1071101840.db2.gz WWEJNBXNCCYPBR-OAHLLOKOSA-N 1 0 412.512 -0.114 20 0 HBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000606134822 1071098894 /nfs/dbraw/zinc/09/88/94/1071098894.db2.gz VAVMOAGXZBKMLR-UHFFFAOYSA-N 1 0 403.439 -0.220 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC000606333522 1071106071 /nfs/dbraw/zinc/10/60/71/1071106071.db2.gz KVTDCFYYFJZACT-UHFFFAOYSA-N 1 0 417.466 -0.304 20 0 HBADRO Cc1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606351807 1071105199 /nfs/dbraw/zinc/10/51/99/1071105199.db2.gz VIOFOIBNZLSKSI-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000606368205 1071106790 /nfs/dbraw/zinc/10/67/90/1071106790.db2.gz CIBXRMYXRDOIOS-CYBMUJFWSA-N 1 0 402.455 -0.990 20 0 HBADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000606368206 1071106857 /nfs/dbraw/zinc/10/68/57/1071106857.db2.gz CIBXRMYXRDOIOS-ZDUSSCGKSA-N 1 0 402.455 -0.990 20 0 HBADRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606369383 1071106593 /nfs/dbraw/zinc/10/65/93/1071106593.db2.gz ORWRCWVVZAHMCY-UHFFFAOYSA-N 1 0 402.499 -0.350 20 0 HBADRO Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371121 1071106758 /nfs/dbraw/zinc/10/67/58/1071106758.db2.gz TWRYSGKDISZXHJ-AWEZNQCLSA-N 1 0 414.510 -0.161 20 0 HBADRO Cc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371122 1071106839 /nfs/dbraw/zinc/10/68/39/1071106839.db2.gz TWRYSGKDISZXHJ-CQSZACIVSA-N 1 0 414.510 -0.161 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606371479 1071107750 /nfs/dbraw/zinc/10/77/50/1071107750.db2.gz ZKKLMOFWTPPLOR-AWEZNQCLSA-N 1 0 402.499 -0.304 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606371480 1071107810 /nfs/dbraw/zinc/10/78/10/1071107810.db2.gz ZKKLMOFWTPPLOR-CQSZACIVSA-N 1 0 402.499 -0.304 20 0 HBADRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371481 1071107699 /nfs/dbraw/zinc/10/76/99/1071107699.db2.gz ZMSXRMZXWMWQLQ-INIZCTEOSA-N 1 0 416.526 -0.058 20 0 HBADRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371482 1071107630 /nfs/dbraw/zinc/10/76/30/1071107630.db2.gz ZMSXRMZXWMWQLQ-MRXNPFEDSA-N 1 0 416.526 -0.058 20 0 HBADRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371583 1071107792 /nfs/dbraw/zinc/10/77/92/1071107792.db2.gz HDZWOTDTQMORBA-UHFFFAOYSA-N 1 0 416.526 -0.056 20 0 HBADRO Cc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371622 1071107820 /nfs/dbraw/zinc/10/78/20/1071107820.db2.gz JHGIAEXILLFGMG-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606373131 1071107680 /nfs/dbraw/zinc/10/76/80/1071107680.db2.gz WVPSADSIMZTCEU-HNNXBMFYSA-N 1 0 414.510 -0.207 20 0 HBADRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606373132 1071107550 /nfs/dbraw/zinc/10/75/50/1071107550.db2.gz WVPSADSIMZTCEU-OAHLLOKOSA-N 1 0 414.510 -0.207 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606425884 1071111039 /nfs/dbraw/zinc/11/10/39/1071111039.db2.gz IYDGSDDSRKOBLG-UHFFFAOYSA-N 1 0 405.499 -0.472 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 ZINC000606432952 1071108635 /nfs/dbraw/zinc/10/86/35/1071108635.db2.gz CITMZDYZZBGITP-HNNXBMFYSA-N 1 0 404.515 -0.059 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 ZINC000606432953 1071108540 /nfs/dbraw/zinc/10/85/40/1071108540.db2.gz CITMZDYZZBGITP-OAHLLOKOSA-N 1 0 404.515 -0.059 20 0 HBADRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000606432989 1071109613 /nfs/dbraw/zinc/10/96/13/1071109613.db2.gz IUDWRBQXJKTMAB-AWEZNQCLSA-N 1 0 404.515 -0.013 20 0 HBADRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000606432990 1071109584 /nfs/dbraw/zinc/10/95/84/1071109584.db2.gz IUDWRBQXJKTMAB-CQSZACIVSA-N 1 0 404.515 -0.013 20 0 HBADRO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)cn1 ZINC000606433051 1069280534 /nfs/dbraw/zinc/28/05/34/1069280534.db2.gz WCRJFEQTQHCBFB-UHFFFAOYSA-N 1 0 404.515 -0.009 20 0 HBADRO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cn1 ZINC000606433067 1071108612 /nfs/dbraw/zinc/10/86/12/1071108612.db2.gz ZCIUDLORHHPKLL-UHFFFAOYSA-N 1 0 416.526 -0.057 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000606437264 1071109598 /nfs/dbraw/zinc/10/95/98/1071109598.db2.gz QIEXJKICIBGNTC-AWEZNQCLSA-N 1 0 409.487 -0.453 20 0 HBADRO COCCn1c(N)c(C(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000606437265 1071109528 /nfs/dbraw/zinc/10/95/28/1071109528.db2.gz QIEXJKICIBGNTC-CQSZACIVSA-N 1 0 409.487 -0.453 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000606457090 1071110238 /nfs/dbraw/zinc/11/02/38/1071110238.db2.gz ATYLMJWCGUFFOH-HOTGVXAUSA-N 1 0 408.590 -0.548 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000606457091 1071110363 /nfs/dbraw/zinc/11/03/63/1071110363.db2.gz ATYLMJWCGUFFOH-HZPDHXFCSA-N 1 0 408.590 -0.548 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000606457092 1071110419 /nfs/dbraw/zinc/11/04/19/1071110419.db2.gz ATYLMJWCGUFFOH-IYBDPMFKSA-N 1 0 408.590 -0.548 20 0 HBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C[C@H](C)O1 ZINC000606468829 1071112177 /nfs/dbraw/zinc/11/21/77/1071112177.db2.gz DBUMLWWSCAZODO-CEXWTWQISA-N 1 0 420.558 -0.095 20 0 HBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C[C@@H](C)O1 ZINC000606468830 1071112162 /nfs/dbraw/zinc/11/21/62/1071112162.db2.gz DBUMLWWSCAZODO-GUDVDZBRSA-N 1 0 420.558 -0.095 20 0 HBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C[C@H](C)O1 ZINC000606468831 1071111979 /nfs/dbraw/zinc/11/19/79/1071111979.db2.gz DBUMLWWSCAZODO-OTWHNJEPSA-N 1 0 420.558 -0.095 20 0 HBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)C[C@@H](C)O1 ZINC000606468832 1071112130 /nfs/dbraw/zinc/11/21/30/1071112130.db2.gz DBUMLWWSCAZODO-QRVBRYPASA-N 1 0 420.558 -0.095 20 0 HBADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606500190 1071111128 /nfs/dbraw/zinc/11/11/28/1071111128.db2.gz DWKLQTPNASILJN-UHFFFAOYSA-N 1 0 407.519 -0.277 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606504563 1071112707 /nfs/dbraw/zinc/11/27/07/1071112707.db2.gz SAELWRDWJNXSBP-KRWDZBQOSA-N 1 0 418.546 -0.609 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606504564 1071112621 /nfs/dbraw/zinc/11/26/21/1071112621.db2.gz SAELWRDWJNXSBP-QGZVFWFLSA-N 1 0 418.546 -0.609 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000606511259 1071112814 /nfs/dbraw/zinc/11/28/14/1071112814.db2.gz OFYHYXRIBWUYST-KRWDZBQOSA-N 1 0 419.530 -0.135 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000606511260 1071113000 /nfs/dbraw/zinc/11/30/00/1071113000.db2.gz OFYHYXRIBWUYST-QGZVFWFLSA-N 1 0 419.530 -0.135 20 0 HBADRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606532417 1071113768 /nfs/dbraw/zinc/11/37/68/1071113768.db2.gz MSHVBJFQJRIKMC-AWEZNQCLSA-N 1 0 403.483 -0.237 20 0 HBADRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606532418 1071113837 /nfs/dbraw/zinc/11/38/37/1071113837.db2.gz MSHVBJFQJRIKMC-CQSZACIVSA-N 1 0 403.483 -0.237 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540424 1071112091 /nfs/dbraw/zinc/11/20/91/1071112091.db2.gz NJFIXGNYKOAFER-FQEVSTJZSA-N 1 0 421.586 -0.060 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540425 1071112965 /nfs/dbraw/zinc/11/29/65/1071112965.db2.gz NJFIXGNYKOAFER-HXUWFJFHSA-N 1 0 421.586 -0.060 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540428 1071113046 /nfs/dbraw/zinc/11/30/46/1071113046.db2.gz NLDZYASSOMWULV-UHFFFAOYSA-N 1 0 421.586 -0.060 20 0 HBADRO C[C@]1(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)NC(=O)NC1=O ZINC000606666558 1071114452 /nfs/dbraw/zinc/11/44/52/1071114452.db2.gz ZWPPJZTVKRXDCJ-FOIQADDNSA-N 1 0 416.482 -0.120 20 0 HBADRO C[C@]1(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)NC(=O)NC1=O ZINC000606666559 1071114575 /nfs/dbraw/zinc/11/45/75/1071114575.db2.gz ZWPPJZTVKRXDCJ-MGPUTAFESA-N 1 0 416.482 -0.120 20 0 HBADRO C[C@@]1(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)NC(=O)NC1=O ZINC000606666560 1071115398 /nfs/dbraw/zinc/11/53/98/1071115398.db2.gz ZWPPJZTVKRXDCJ-QRWLVFNGSA-N 1 0 416.482 -0.120 20 0 HBADRO C[C@@]1(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)NC(=O)NC1=O ZINC000606666561 1071115660 /nfs/dbraw/zinc/11/56/60/1071115660.db2.gz ZWPPJZTVKRXDCJ-YWZLYKJASA-N 1 0 416.482 -0.120 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700613 1071115531 /nfs/dbraw/zinc/11/55/31/1071115531.db2.gz NMFPWZVMOJNXNC-HNNXBMFYSA-N 1 0 403.549 -0.379 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700614 1071115598 /nfs/dbraw/zinc/11/55/98/1071115598.db2.gz NMFPWZVMOJNXNC-OAHLLOKOSA-N 1 0 403.549 -0.379 20 0 HBADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606700773 1071115434 /nfs/dbraw/zinc/11/54/34/1071115434.db2.gz PRRBGZUVQZFJTQ-INIZCTEOSA-N 1 0 416.592 -0.464 20 0 HBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606700774 1069294979 /nfs/dbraw/zinc/29/49/79/1069294979.db2.gz PRRBGZUVQZFJTQ-MRXNPFEDSA-N 1 0 416.592 -0.464 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c(OCC[NH+](C)C)c1 ZINC000606716480 1071116471 /nfs/dbraw/zinc/11/64/71/1071116471.db2.gz IHRDWVBDUUABFV-UHFFFAOYSA-N 1 0 400.501 -0.071 20 0 HBADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000606721369 1071117381 /nfs/dbraw/zinc/11/73/81/1071117381.db2.gz VHHOTTMTSLKXGG-GFCCVEGCSA-N 1 0 416.500 -0.687 20 0 HBADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000606721385 1071117368 /nfs/dbraw/zinc/11/73/68/1071117368.db2.gz VHHOTTMTSLKXGG-LBPRGKRZSA-N 1 0 416.500 -0.687 20 0 HBADRO Cc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c(OCC[NH+](C)C)c1 ZINC000606723144 1071117308 /nfs/dbraw/zinc/11/73/08/1071117308.db2.gz TTXKQGKNRUMUPY-UHFFFAOYSA-N 1 0 412.512 -0.022 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c(OCC[NH+](C)C)c1 ZINC000606725807 1071117938 /nfs/dbraw/zinc/11/79/38/1071117938.db2.gz OWJMATBNGPXIDS-UHFFFAOYSA-N 1 0 405.455 -0.068 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1=O ZINC000606838302 1071123984 /nfs/dbraw/zinc/12/39/84/1071123984.db2.gz RTMFFWUCDICOKG-ARFHVFGLSA-N 1 0 415.560 -0.649 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1=O ZINC000606838303 1071124119 /nfs/dbraw/zinc/12/41/19/1071124119.db2.gz RTMFFWUCDICOKG-BZUAXINKSA-N 1 0 415.560 -0.649 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1=O ZINC000606838304 1071124138 /nfs/dbraw/zinc/12/41/38/1071124138.db2.gz RTMFFWUCDICOKG-HRCADAONSA-N 1 0 415.560 -0.649 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1=O ZINC000606838305 1071123963 /nfs/dbraw/zinc/12/39/63/1071123963.db2.gz RTMFFWUCDICOKG-OWCLPIDISA-N 1 0 415.560 -0.649 20 0 HBADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1-n1cnnn1 ZINC000606998870 1071126536 /nfs/dbraw/zinc/12/65/36/1071126536.db2.gz HJIVUTCCVDJMHK-AWEZNQCLSA-N 1 0 400.487 -0.091 20 0 HBADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1-n1cnnn1 ZINC000606998874 1071126359 /nfs/dbraw/zinc/12/63/59/1071126359.db2.gz HJIVUTCCVDJMHK-CQSZACIVSA-N 1 0 400.487 -0.091 20 0 HBADRO CC(C)(C(N)=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000606999160 1071126492 /nfs/dbraw/zinc/12/64/92/1071126492.db2.gz RRYMDUVPOFDBLL-HNNXBMFYSA-N 1 0 403.483 -0.156 20 0 HBADRO CC(C)(C(N)=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000606999170 1071126445 /nfs/dbraw/zinc/12/64/45/1071126445.db2.gz RRYMDUVPOFDBLL-OAHLLOKOSA-N 1 0 403.483 -0.156 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)ccc2oc1=O ZINC000607000309 1069318771 /nfs/dbraw/zinc/31/87/71/1069318771.db2.gz CNIRTRBAEWHGQU-UHFFFAOYSA-N 1 0 410.452 -0.648 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000607001032 1071126577 /nfs/dbraw/zinc/12/65/77/1071126577.db2.gz TVLVLVVKQGBFOM-UHFFFAOYSA-N 1 0 424.523 -0.046 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000607005409 1071127255 /nfs/dbraw/zinc/12/72/55/1071127255.db2.gz CNFSHCAJNUVZAE-CYBMUJFWSA-N 1 0 414.466 -0.485 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cnc2n(C)c1=O ZINC000607005464 1071127303 /nfs/dbraw/zinc/12/73/03/1071127303.db2.gz CNFSHCAJNUVZAE-ZDUSSCGKSA-N 1 0 414.466 -0.485 20 0 HBADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000607007672 1071127084 /nfs/dbraw/zinc/12/70/84/1071127084.db2.gz YPNFFQQYCYWEFV-HNNXBMFYSA-N 1 0 400.483 -0.099 20 0 HBADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000607007674 1069327284 /nfs/dbraw/zinc/32/72/84/1069327284.db2.gz YPNFFQQYCYWEFV-OAHLLOKOSA-N 1 0 400.483 -0.099 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c(=O)n2C ZINC000607027202 1071129018 /nfs/dbraw/zinc/12/90/18/1071129018.db2.gz SECLMZVPZNRTFE-UHFFFAOYSA-N 1 0 413.438 -0.767 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000607050806 1071126946 /nfs/dbraw/zinc/12/69/46/1071126946.db2.gz JOWJDKBHSJPXPV-AWEZNQCLSA-N 1 0 412.512 -0.277 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000607050807 1071127205 /nfs/dbraw/zinc/12/72/05/1071127205.db2.gz JOWJDKBHSJPXPV-CQSZACIVSA-N 1 0 412.512 -0.277 20 0 HBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000607052644 1071127916 /nfs/dbraw/zinc/12/79/16/1071127916.db2.gz FUXYOUPWOWVJEB-KRWDZBQOSA-N 1 0 410.515 -0.691 20 0 HBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000607052645 1071128115 /nfs/dbraw/zinc/12/81/15/1071128115.db2.gz FUXYOUPWOWVJEB-QGZVFWFLSA-N 1 0 410.515 -0.691 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000607153268 1071130873 /nfs/dbraw/zinc/13/08/73/1071130873.db2.gz HGIRIXXXOKIFDQ-UHFFFAOYSA-N 1 0 400.501 -0.029 20 0 HBADRO CS(=O)(=O)CCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000607159039 1071131623 /nfs/dbraw/zinc/13/16/23/1071131623.db2.gz VWBIWCZDNKVJFZ-UHFFFAOYSA-N 1 0 404.558 -0.052 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000607159270 1071132370 /nfs/dbraw/zinc/13/23/70/1071132370.db2.gz JUAYHHLIYRURCD-UHFFFAOYSA-N 1 0 405.542 -0.168 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000607159980 1071132339 /nfs/dbraw/zinc/13/23/39/1071132339.db2.gz BNSXPAOEEASIQC-UHFFFAOYSA-N 1 0 410.500 -0.708 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000607208931 1071133325 /nfs/dbraw/zinc/13/33/25/1071133325.db2.gz NGGIJYMEASUTBM-UHFFFAOYSA-N 1 0 417.507 -0.015 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000607230493 1071133370 /nfs/dbraw/zinc/13/33/70/1071133370.db2.gz RKMFBLPIZRZUJI-UHFFFAOYSA-N 1 0 403.483 -0.486 20 0 HBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000607233484 1071133505 /nfs/dbraw/zinc/13/35/05/1071133505.db2.gz BPVAEIRYDBZOET-UHFFFAOYSA-N 1 0 414.528 -0.133 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000607238625 1071133255 /nfs/dbraw/zinc/13/32/55/1071133255.db2.gz BTIICJGIOZFBEA-UHFFFAOYSA-N 1 0 405.565 -0.948 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000607239548 1071133996 /nfs/dbraw/zinc/13/39/96/1071133996.db2.gz AOCARIFAJICCNP-UHFFFAOYSA-N 1 0 405.503 -0.729 20 0 HBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000607244346 1071133905 /nfs/dbraw/zinc/13/39/05/1071133905.db2.gz ZTQDRVVULAJAQI-UHFFFAOYSA-N 1 0 414.528 -0.445 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1S(=O)(=O)NC1CC1 ZINC000607262771 1071134701 /nfs/dbraw/zinc/13/47/01/1071134701.db2.gz VOGUITZCIJJESU-HNNXBMFYSA-N 1 0 423.539 -0.264 20 0 HBADRO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1S(=O)(=O)NC1CC1 ZINC000607262772 1071134628 /nfs/dbraw/zinc/13/46/28/1071134628.db2.gz VOGUITZCIJJESU-OAHLLOKOSA-N 1 0 423.539 -0.264 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)NC1CC1 ZINC000607262776 1071134823 /nfs/dbraw/zinc/13/48/23/1071134823.db2.gz VTRQMVBZARMJQI-INIZCTEOSA-N 1 0 423.539 -0.264 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)NC1CC1 ZINC000607262778 1071134592 /nfs/dbraw/zinc/13/45/92/1071134592.db2.gz VTRQMVBZARMJQI-MRXNPFEDSA-N 1 0 423.539 -0.264 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000607263472 1071135464 /nfs/dbraw/zinc/13/54/64/1071135464.db2.gz QRRLDKSNBSKEOT-UHFFFAOYSA-N 1 0 416.475 -0.101 20 0 HBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2O1 ZINC000607269573 1071136174 /nfs/dbraw/zinc/13/61/74/1071136174.db2.gz BIMMMLYKXXZROX-KRWDZBQOSA-N 1 0 418.494 -0.120 20 0 HBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2O1 ZINC000607269574 1071136243 /nfs/dbraw/zinc/13/62/43/1071136243.db2.gz BIMMMLYKXXZROX-QGZVFWFLSA-N 1 0 418.494 -0.120 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1S(=O)(=O)N(C)C ZINC000607269722 1071136265 /nfs/dbraw/zinc/13/62/65/1071136265.db2.gz MBXXMFVBSWGCBD-UHFFFAOYSA-N 1 0 412.512 -0.243 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000607269909 1071136374 /nfs/dbraw/zinc/13/63/74/1071136374.db2.gz RBTGRCBPGMGNNA-UHFFFAOYSA-N 1 0 424.523 -0.018 20 0 HBADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000607269915 1071136279 /nfs/dbraw/zinc/13/62/79/1071136279.db2.gz RCYGZXQONMWVBV-UHFFFAOYSA-N 1 0 412.512 -0.115 20 0 HBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000607269919 1071136496 /nfs/dbraw/zinc/13/64/96/1071136496.db2.gz XUIKVWBFELXING-UHFFFAOYSA-N 1 0 424.523 -0.019 20 0 HBADRO Cc1c(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cccc1S(=O)(=O)NC1CC1 ZINC000607270039 1071136413 /nfs/dbraw/zinc/13/64/13/1071136413.db2.gz VTJKAIUEQGLDSD-UHFFFAOYSA-N 1 0 424.523 -0.053 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000607282349 1071137371 /nfs/dbraw/zinc/13/73/71/1071137371.db2.gz LOUGCODKQUEREC-RYUDHWBXSA-N 1 0 402.473 -0.728 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000607282352 1071137160 /nfs/dbraw/zinc/13/71/60/1071137160.db2.gz LOUGCODKQUEREC-TXEJJXNPSA-N 1 0 402.473 -0.728 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H](C)O1 ZINC000607282357 1071137355 /nfs/dbraw/zinc/13/73/55/1071137355.db2.gz LOUGCODKQUEREC-VXGBXAGGSA-N 1 0 402.473 -0.728 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607408419 1071143144 /nfs/dbraw/zinc/14/31/44/1071143144.db2.gz NILUPTCJAVSPMK-UHFFFAOYSA-N 1 0 416.548 -0.159 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607423187 1071142150 /nfs/dbraw/zinc/14/21/50/1071142150.db2.gz VTIIWFBORGLTLE-UHFFFAOYSA-N 1 0 416.548 -0.207 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+](C)C)Cc3ccccc3C1)c(=O)n2C ZINC000607534784 1071144628 /nfs/dbraw/zinc/14/46/28/1071144628.db2.gz KQKQXRWHPOLCPW-UHFFFAOYSA-N 1 0 410.478 -0.351 20 0 HBADRO Cn1c2ncn(CC(=O)NCC3([NH+](C)C)Cc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000607535114 1071144547 /nfs/dbraw/zinc/14/45/47/1071144547.db2.gz VLCCTOZNWYMKJG-UHFFFAOYSA-N 1 0 410.478 -0.351 20 0 HBADRO CCS(=O)(=O)N1CCC(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000607557046 1071145526 /nfs/dbraw/zinc/14/55/26/1071145526.db2.gz JTIWSJMWRJRFQD-UHFFFAOYSA-N 1 0 414.532 -0.439 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCn2nc3ccccn3c2=O)cn1 ZINC000607557166 1071145400 /nfs/dbraw/zinc/14/54/00/1071145400.db2.gz QBXJLJRGNPSHSW-UHFFFAOYSA-N 1 0 400.443 -0.601 20 0 HBADRO CN(CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ncnc2nc[nH]c21 ZINC000607557324 1071144612 /nfs/dbraw/zinc/14/46/12/1071144612.db2.gz HUOGKORGWFHSRH-UHFFFAOYSA-N 1 0 400.447 -0.698 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000607557378 1071144595 /nfs/dbraw/zinc/14/45/95/1071144595.db2.gz AGABSZBZWKRNLY-UHFFFAOYSA-N 1 0 413.438 -0.385 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 ZINC000607557612 1071145511 /nfs/dbraw/zinc/14/55/11/1071145511.db2.gz OPNQQURYNUDODD-HNNXBMFYSA-N 1 0 413.482 -0.057 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1 ZINC000607557617 1071145433 /nfs/dbraw/zinc/14/54/33/1071145433.db2.gz OPNQQURYNUDODD-OAHLLOKOSA-N 1 0 413.482 -0.057 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000607557681 1071145498 /nfs/dbraw/zinc/14/54/98/1071145498.db2.gz SFLVFDMADWWDCO-AWEZNQCLSA-N 1 0 400.505 -0.687 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000607557683 1071145409 /nfs/dbraw/zinc/14/54/09/1071145409.db2.gz SFLVFDMADWWDCO-CQSZACIVSA-N 1 0 400.505 -0.687 20 0 HBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557782 1071145516 /nfs/dbraw/zinc/14/55/16/1071145516.db2.gz ARGZOAYFISZNBQ-AWEZNQCLSA-N 1 0 414.532 -0.439 20 0 HBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000607557783 1071145426 /nfs/dbraw/zinc/14/54/26/1071145426.db2.gz ARGZOAYFISZNBQ-CQSZACIVSA-N 1 0 414.532 -0.439 20 0 HBADRO CN(CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)S(=O)(=O)c1cccnc1 ZINC000607558028 1071145441 /nfs/dbraw/zinc/14/54/41/1071145441.db2.gz YNCUUILZNUGXSW-UHFFFAOYSA-N 1 0 423.499 -0.785 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000607558041 1071145416 /nfs/dbraw/zinc/14/54/16/1071145416.db2.gz ZNHIOTOOPKPVEP-UHFFFAOYSA-N 1 0 422.511 -0.220 20 0 HBADRO CN(CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)S(=O)(=O)c1ccccc1 ZINC000607558068 1071145503 /nfs/dbraw/zinc/14/55/03/1071145503.db2.gz DEMSBYHROPWCMP-UHFFFAOYSA-N 1 0 422.511 -0.180 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000607558108 1071145570 /nfs/dbraw/zinc/14/55/70/1071145570.db2.gz KQIVZURCYDHOOU-UHFFFAOYSA-N 1 0 405.459 -0.636 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679308 1071147634 /nfs/dbraw/zinc/14/76/34/1071147634.db2.gz BCHMQBJTOLWWSH-AWEZNQCLSA-N 1 0 422.511 -0.134 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cn1 ZINC000607679335 1071147747 /nfs/dbraw/zinc/14/77/47/1071147747.db2.gz FDWCVBDPNUXQOU-UHFFFAOYSA-N 1 0 414.513 -0.549 20 0 HBADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679340 1071147586 /nfs/dbraw/zinc/14/75/86/1071147586.db2.gz FNMTUXACUWSYAC-UHFFFAOYSA-N 1 0 408.484 -0.231 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cn1 ZINC000607679349 1071147666 /nfs/dbraw/zinc/14/76/66/1071147666.db2.gz HEMYVSBVAZANGF-UHFFFAOYSA-N 1 0 408.484 -0.398 20 0 HBADRO C[C@@H](C(=O)N(C)CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)n1cccn1 ZINC000607679382 1071147627 /nfs/dbraw/zinc/14/76/27/1071147627.db2.gz KIQBDOSVSOOGDZ-AWEZNQCLSA-N 1 0 404.475 -0.585 20 0 HBADRO C[C@H](C(=O)N(C)CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)n1cccn1 ZINC000607679383 1071147704 /nfs/dbraw/zinc/14/77/04/1071147704.db2.gz KIQBDOSVSOOGDZ-CQSZACIVSA-N 1 0 404.475 -0.585 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000607679416 1071147718 /nfs/dbraw/zinc/14/77/18/1071147718.db2.gz PMVXVGBQGSWAQD-NEPJUHHUSA-N 1 0 404.393 -0.044 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000607679417 1071147605 /nfs/dbraw/zinc/14/76/05/1071147605.db2.gz PMVXVGBQGSWAQD-NWDGAFQWSA-N 1 0 404.393 -0.044 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cn1 ZINC000607679418 1071147733 /nfs/dbraw/zinc/14/77/33/1071147733.db2.gz PMVXVGBQGSWAQD-RYUDHWBXSA-N 1 0 404.393 -0.044 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cn1 ZINC000607679419 1071147686 /nfs/dbraw/zinc/14/76/86/1071147686.db2.gz PMVXVGBQGSWAQD-VXGBXAGGSA-N 1 0 404.393 -0.044 20 0 HBADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679421 1071147679 /nfs/dbraw/zinc/14/76/79/1071147679.db2.gz PWENTNARBPQVDO-UHFFFAOYSA-N 1 0 412.472 -0.330 20 0 HBADRO CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000607679460 1071147599 /nfs/dbraw/zinc/14/75/99/1071147599.db2.gz WGDQYFWAVAFLNJ-UHFFFAOYSA-N 1 0 411.488 -0.608 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(S(N)(=O)=O)s2)cn1 ZINC000607679463 1071147671 /nfs/dbraw/zinc/14/76/71/1071147671.db2.gz WYCIDMDVLSBMTH-UHFFFAOYSA-N 1 0 400.486 -0.478 20 0 HBADRO Cc1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1S(N)(=O)=O ZINC000607679466 1071147710 /nfs/dbraw/zinc/14/77/10/1071147710.db2.gz XNRWXDXYYPHRGS-UHFFFAOYSA-N 1 0 408.484 -0.231 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1=O ZINC000607701206 1071150304 /nfs/dbraw/zinc/15/03/04/1071150304.db2.gz HYRLMNXQPFSBOA-DOTOQJQBSA-N 1 0 420.514 -0.083 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1=O ZINC000607701207 1071150110 /nfs/dbraw/zinc/15/01/10/1071150110.db2.gz HYRLMNXQPFSBOA-NVXWUHKLSA-N 1 0 420.514 -0.083 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1=O ZINC000607701208 1071150241 /nfs/dbraw/zinc/15/02/41/1071150241.db2.gz HYRLMNXQPFSBOA-RDJZCZTQSA-N 1 0 420.514 -0.083 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1=O ZINC000607701209 1071147644 /nfs/dbraw/zinc/14/76/44/1071147644.db2.gz HYRLMNXQPFSBOA-WBVHZDCISA-N 1 0 420.514 -0.083 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000607701900 1071150184 /nfs/dbraw/zinc/15/01/84/1071150184.db2.gz VNCBJABVFRMOBP-UHFFFAOYSA-N 1 0 402.517 -0.256 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000607701967 1071150005 /nfs/dbraw/zinc/15/00/05/1071150005.db2.gz NJJBAWVWZDFGBK-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607717205 1071150844 /nfs/dbraw/zinc/15/08/44/1071150844.db2.gz TWPLGMQUDTWEEM-GASCZTMLSA-N 1 0 406.549 -0.564 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000607717206 1071150798 /nfs/dbraw/zinc/15/07/98/1071150798.db2.gz TWPLGMQUDTWEEM-GJZGRUSLSA-N 1 0 406.549 -0.564 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000607717207 1071150989 /nfs/dbraw/zinc/15/09/89/1071150989.db2.gz TWPLGMQUDTWEEM-HUUCEWRRSA-N 1 0 406.549 -0.564 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC(OCC[NH+](C)C)CC3)cnc21 ZINC000607724447 1071151718 /nfs/dbraw/zinc/15/17/18/1071151718.db2.gz XGMCRYOUVMSJPV-UHFFFAOYSA-N 1 0 411.484 -0.235 20 0 HBADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000607724552 1071151572 /nfs/dbraw/zinc/15/15/72/1071151572.db2.gz ZAIAWAMWQZDZCN-INIZCTEOSA-N 1 0 404.558 -0.116 20 0 HBADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000607724553 1071151732 /nfs/dbraw/zinc/15/17/32/1071151732.db2.gz ZAIAWAMWQZDZCN-MRXNPFEDSA-N 1 0 404.558 -0.116 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000607903567 1071154175 /nfs/dbraw/zinc/15/41/75/1071154175.db2.gz QKGYSCOYWKQKPN-BMFZPTHFSA-N 1 0 413.544 -0.239 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000607903573 1071154836 /nfs/dbraw/zinc/15/48/36/1071154836.db2.gz QKGYSCOYWKQKPN-FVQBIDKESA-N 1 0 413.544 -0.239 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000607903575 1071154919 /nfs/dbraw/zinc/15/49/19/1071154919.db2.gz QKGYSCOYWKQKPN-KBMXLJTQSA-N 1 0 413.544 -0.239 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000607903577 1071154708 /nfs/dbraw/zinc/15/47/08/1071154708.db2.gz QKGYSCOYWKQKPN-VNQPRFMTSA-N 1 0 413.544 -0.239 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000607903625 1071154773 /nfs/dbraw/zinc/15/47/73/1071154773.db2.gz RAOGQKBORFGXCO-DZGCQCFKSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000607903628 1071154659 /nfs/dbraw/zinc/15/46/59/1071154659.db2.gz RAOGQKBORFGXCO-HIFRSBDPSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000607903630 1071154892 /nfs/dbraw/zinc/15/48/92/1071154892.db2.gz RAOGQKBORFGXCO-UKRRQHHQSA-N 1 0 401.533 -0.069 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000607903631 1071154676 /nfs/dbraw/zinc/15/46/76/1071154676.db2.gz RAOGQKBORFGXCO-ZFWWWQNUSA-N 1 0 401.533 -0.069 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000607908318 1071154926 /nfs/dbraw/zinc/15/49/26/1071154926.db2.gz YDRGAOKMEDHBQJ-HNNXBMFYSA-N 1 0 414.576 -0.152 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000607908321 1071154797 /nfs/dbraw/zinc/15/47/97/1071154797.db2.gz YDRGAOKMEDHBQJ-OAHLLOKOSA-N 1 0 414.576 -0.152 20 0 HBADRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000608012725 1071155370 /nfs/dbraw/zinc/15/53/70/1071155370.db2.gz XXDHSPOBAVTFMA-BEFAXECRSA-N 1 0 409.508 -0.615 20 0 HBADRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000608012726 1071155523 /nfs/dbraw/zinc/15/55/23/1071155523.db2.gz XXDHSPOBAVTFMA-DNVCBOLYSA-N 1 0 409.508 -0.615 20 0 HBADRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000608012727 1071155676 /nfs/dbraw/zinc/15/56/76/1071155676.db2.gz XXDHSPOBAVTFMA-HNAYVOBHSA-N 1 0 409.508 -0.615 20 0 HBADRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000608012728 1071155507 /nfs/dbraw/zinc/15/55/07/1071155507.db2.gz XXDHSPOBAVTFMA-KXBFYZLASA-N 1 0 409.508 -0.615 20 0 HBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000608031862 1071156375 /nfs/dbraw/zinc/15/63/75/1071156375.db2.gz RHLJUNCSGNSUSF-AWEZNQCLSA-N 1 0 404.558 -0.114 20 0 HBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000608031867 1071156162 /nfs/dbraw/zinc/15/61/62/1071156162.db2.gz RHLJUNCSGNSUSF-CQSZACIVSA-N 1 0 404.558 -0.114 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)CC1 ZINC000608133715 1071159610 /nfs/dbraw/zinc/15/96/10/1071159610.db2.gz ASFLLORBCOCEPU-HNNXBMFYSA-N 1 0 408.524 -0.156 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)CC1 ZINC000608133716 1071159589 /nfs/dbraw/zinc/15/95/89/1071159589.db2.gz ASFLLORBCOCEPU-OAHLLOKOSA-N 1 0 408.524 -0.156 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)C1 ZINC000608136292 1071160249 /nfs/dbraw/zinc/16/02/49/1071160249.db2.gz MYZKNZXEMXJXLT-INIZCTEOSA-N 1 0 408.524 -0.202 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)C1 ZINC000608136293 1071160261 /nfs/dbraw/zinc/16/02/61/1071160261.db2.gz MYZKNZXEMXJXLT-MRXNPFEDSA-N 1 0 408.524 -0.202 20 0 HBADRO CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000608157277 1071159539 /nfs/dbraw/zinc/15/95/39/1071159539.db2.gz HGQNOPWSFFVMJE-CABCVRRESA-N 1 0 414.528 -0.047 20 0 HBADRO CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000608157278 1071159643 /nfs/dbraw/zinc/15/96/43/1071159643.db2.gz HGQNOPWSFFVMJE-GJZGRUSLSA-N 1 0 414.528 -0.047 20 0 HBADRO CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000608157279 1071159618 /nfs/dbraw/zinc/15/96/18/1071159618.db2.gz HGQNOPWSFFVMJE-HUUCEWRRSA-N 1 0 414.528 -0.047 20 0 HBADRO CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000608157280 1071159570 /nfs/dbraw/zinc/15/95/70/1071159570.db2.gz HGQNOPWSFFVMJE-LSDHHAIUSA-N 1 0 414.528 -0.047 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608237531 1071162101 /nfs/dbraw/zinc/16/21/01/1071162101.db2.gz KHDLAXGTVCTKIK-BFYDXBDKSA-N 1 0 418.498 -0.789 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608237532 1071162211 /nfs/dbraw/zinc/16/22/11/1071162211.db2.gz KHDLAXGTVCTKIK-HLLBOEOZSA-N 1 0 418.498 -0.789 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608237533 1071162288 /nfs/dbraw/zinc/16/22/88/1071162288.db2.gz KHDLAXGTVCTKIK-INMHGKMJSA-N 1 0 418.498 -0.789 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608237534 1071162266 /nfs/dbraw/zinc/16/22/66/1071162266.db2.gz KHDLAXGTVCTKIK-VYDXJSESSA-N 1 0 418.498 -0.789 20 0 HBADRO O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365286 1071165145 /nfs/dbraw/zinc/16/51/45/1071165145.db2.gz FJWSCLSKUXFMGQ-IBGZPJMESA-N 1 0 402.543 -0.274 20 0 HBADRO O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365289 1071165374 /nfs/dbraw/zinc/16/53/74/1071165374.db2.gz FJWSCLSKUXFMGQ-LJQANCHMSA-N 1 0 402.543 -0.274 20 0 HBADRO C[NH+](C)C1(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1 ZINC000608422299 1071166970 /nfs/dbraw/zinc/16/69/70/1071166970.db2.gz NTMWEVYZQRDIJU-UHFFFAOYSA-N 1 0 423.583 -0.038 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(=O)N1c1cnn(C)c1 ZINC000608425584 1071166822 /nfs/dbraw/zinc/16/68/22/1071166822.db2.gz SURRWVQLOWSYMZ-FMKPAKJESA-N 1 0 405.503 -0.200 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(=O)N1c1cnn(C)c1 ZINC000608425585 1071166950 /nfs/dbraw/zinc/16/69/50/1071166950.db2.gz SURRWVQLOWSYMZ-IIAWOOMASA-N 1 0 405.503 -0.200 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(=O)N1c1cnn(C)c1 ZINC000608425586 1071167000 /nfs/dbraw/zinc/16/70/00/1071167000.db2.gz SURRWVQLOWSYMZ-IJEWVQPXSA-N 1 0 405.503 -0.200 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(=O)N1c1cnn(C)c1 ZINC000608425587 1071166931 /nfs/dbraw/zinc/16/69/31/1071166931.db2.gz SURRWVQLOWSYMZ-YCPHGPKFSA-N 1 0 405.503 -0.200 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000608436133 1071096052 /nfs/dbraw/zinc/09/60/52/1071096052.db2.gz FZANGYVQGQULOW-UHFFFAOYSA-N 1 0 424.483 -0.774 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479398 1071168725 /nfs/dbraw/zinc/16/87/25/1071168725.db2.gz RZUAMOFLRAPXRD-GHTZIAJQSA-N 1 0 402.495 -0.133 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479399 1071168475 /nfs/dbraw/zinc/16/84/75/1071168475.db2.gz RZUAMOFLRAPXRD-NQIIRXRSSA-N 1 0 402.495 -0.133 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479400 1071168736 /nfs/dbraw/zinc/16/87/36/1071168736.db2.gz RZUAMOFLRAPXRD-RXVVDRJESA-N 1 0 402.495 -0.133 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608479401 1071168522 /nfs/dbraw/zinc/16/85/22/1071168522.db2.gz RZUAMOFLRAPXRD-WIYYLYMNSA-N 1 0 402.495 -0.133 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1-n1cnnn1 ZINC000608514365 1071170295 /nfs/dbraw/zinc/17/02/95/1071170295.db2.gz USKYVPNMRILALE-UHFFFAOYSA-N 1 0 416.486 -0.248 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608521652 1071127054 /nfs/dbraw/zinc/12/70/54/1071127054.db2.gz MPMGRRQILGLGKY-INIZCTEOSA-N 1 0 417.510 -0.150 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608521653 1071172566 /nfs/dbraw/zinc/17/25/66/1071172566.db2.gz MPMGRRQILGLGKY-MRXNPFEDSA-N 1 0 417.510 -0.150 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000608522113 1071172522 /nfs/dbraw/zinc/17/25/22/1071172522.db2.gz UDBLFPBEMVNADS-HNNXBMFYSA-N 1 0 410.496 -0.097 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000608522114 1071172401 /nfs/dbraw/zinc/17/24/01/1071172401.db2.gz UDBLFPBEMVNADS-OAHLLOKOSA-N 1 0 410.496 -0.097 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000608524287 1071172427 /nfs/dbraw/zinc/17/24/27/1071172427.db2.gz TYQXESNRLQCFOF-FQEVSTJZSA-N 1 0 408.499 -0.105 20 0 HBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000608524289 1071172591 /nfs/dbraw/zinc/17/25/91/1071172591.db2.gz TYQXESNRLQCFOF-HXUWFJFHSA-N 1 0 408.499 -0.105 20 0 HBADRO Cn1c2c(ccn2CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(=O)n(C)c1=O ZINC000608582013 1071174379 /nfs/dbraw/zinc/17/43/79/1071174379.db2.gz UHTMNMFJFUJRBQ-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000608641692 1071176283 /nfs/dbraw/zinc/17/62/83/1071176283.db2.gz DIBJOBQBMVBZIA-CYBMUJFWSA-N 1 0 413.500 -0.121 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000608641693 1071176040 /nfs/dbraw/zinc/17/60/40/1071176040.db2.gz DIBJOBQBMVBZIA-ZDUSSCGKSA-N 1 0 413.500 -0.121 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661210 1071176760 /nfs/dbraw/zinc/17/67/60/1071176760.db2.gz PCFGZERUPKFHNV-INIZCTEOSA-N 1 0 405.565 -0.684 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661211 1071176920 /nfs/dbraw/zinc/17/69/20/1071176920.db2.gz PCFGZERUPKFHNV-MRXNPFEDSA-N 1 0 405.565 -0.684 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000608661259 1071176882 /nfs/dbraw/zinc/17/68/82/1071176882.db2.gz RUYWGEMSXJSVFL-KRWDZBQOSA-N 1 0 418.608 -0.864 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000608661260 1071176772 /nfs/dbraw/zinc/17/67/72/1071176772.db2.gz RUYWGEMSXJSVFL-QGZVFWFLSA-N 1 0 418.608 -0.864 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1=O ZINC000608685733 1071178101 /nfs/dbraw/zinc/17/81/01/1071178101.db2.gz DXNVHZZZFWSODA-INIZCTEOSA-N 1 0 403.531 -0.220 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1=O ZINC000608685747 1071177977 /nfs/dbraw/zinc/17/79/77/1071177977.db2.gz DXNVHZZZFWSODA-MRXNPFEDSA-N 1 0 403.531 -0.220 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000608686759 1071177944 /nfs/dbraw/zinc/17/79/44/1071177944.db2.gz VMWUVZWCYYXLET-KRWDZBQOSA-N 1 0 410.563 -0.755 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000608686760 1071178776 /nfs/dbraw/zinc/17/87/76/1071178776.db2.gz VMWUVZWCYYXLET-QGZVFWFLSA-N 1 0 410.563 -0.755 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687210 1071178083 /nfs/dbraw/zinc/17/80/83/1071178083.db2.gz BVZISJKLOFODON-HKUYNNGSSA-N 1 0 422.574 -0.613 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687211 1071177870 /nfs/dbraw/zinc/17/78/70/1071177870.db2.gz BVZISJKLOFODON-IEBWSBKVSA-N 1 0 422.574 -0.613 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687212 1071162727 /nfs/dbraw/zinc/16/27/27/1071162727.db2.gz BVZISJKLOFODON-MJGOQNOKSA-N 1 0 422.574 -0.613 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687213 1071177926 /nfs/dbraw/zinc/17/79/26/1071177926.db2.gz BVZISJKLOFODON-PKOBYXMFSA-N 1 0 422.574 -0.613 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608687220 1071177786 /nfs/dbraw/zinc/17/77/86/1071177786.db2.gz CBUJQBXYKZRHSO-JFIYKMOQSA-N 1 0 419.530 -0.380 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608687221 1071177887 /nfs/dbraw/zinc/17/78/87/1071177887.db2.gz CBUJQBXYKZRHSO-NUJGCVRESA-N 1 0 419.530 -0.380 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608687222 1071178055 /nfs/dbraw/zinc/17/80/55/1071178055.db2.gz CBUJQBXYKZRHSO-RYRKJORJSA-N 1 0 419.530 -0.380 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608687223 1071177848 /nfs/dbraw/zinc/17/78/48/1071177848.db2.gz CBUJQBXYKZRHSO-SOLBZPMBSA-N 1 0 419.530 -0.380 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687364 1071178019 /nfs/dbraw/zinc/17/80/19/1071178019.db2.gz JDSCFMSVSXEQQC-IBGZPJMESA-N 1 0 424.590 -0.412 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687365 1071177753 /nfs/dbraw/zinc/17/77/53/1071177753.db2.gz JDSCFMSVSXEQQC-LJQANCHMSA-N 1 0 424.590 -0.412 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000608687402 1071178139 /nfs/dbraw/zinc/17/81/39/1071178139.db2.gz KHDNFSOQBCKQBU-KRWDZBQOSA-N 1 0 405.499 -0.244 20 0 HBADRO NC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000608687403 1071177807 /nfs/dbraw/zinc/17/78/07/1071177807.db2.gz KHDNFSOQBCKQBU-QGZVFWFLSA-N 1 0 405.499 -0.244 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n1 ZINC000608687481 1071178033 /nfs/dbraw/zinc/17/80/33/1071178033.db2.gz LVWMVIRFLTWSCG-DLBZAZTESA-N 1 0 419.530 -0.379 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n1 ZINC000608687484 1071177829 /nfs/dbraw/zinc/17/78/29/1071177829.db2.gz LVWMVIRFLTWSCG-IAGOWNOFSA-N 1 0 419.530 -0.379 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n1 ZINC000608687485 1071178045 /nfs/dbraw/zinc/17/80/45/1071178045.db2.gz LVWMVIRFLTWSCG-IRXDYDNUSA-N 1 0 419.530 -0.379 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n1 ZINC000608687486 1071177907 /nfs/dbraw/zinc/17/79/07/1071177907.db2.gz LVWMVIRFLTWSCG-SJORKVTESA-N 1 0 419.530 -0.379 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n(C)n1 ZINC000608688107 1071178918 /nfs/dbraw/zinc/17/89/18/1071178918.db2.gz RRWKULOQPFOSMS-DLBZAZTESA-N 1 0 419.530 -0.460 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n(C)n1 ZINC000608688108 1071179160 /nfs/dbraw/zinc/17/91/60/1071179160.db2.gz RRWKULOQPFOSMS-IAGOWNOFSA-N 1 0 419.530 -0.460 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n(C)n1 ZINC000608688109 1071178754 /nfs/dbraw/zinc/17/87/54/1071178754.db2.gz RRWKULOQPFOSMS-IRXDYDNUSA-N 1 0 419.530 -0.460 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2=O)n(C)n1 ZINC000608688110 1071178845 /nfs/dbraw/zinc/17/88/45/1071178845.db2.gz RRWKULOQPFOSMS-SJORKVTESA-N 1 0 419.530 -0.460 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)c1=O ZINC000608688303 1071178958 /nfs/dbraw/zinc/17/89/58/1071178958.db2.gz UAYIMVMAXLKGFU-KRWDZBQOSA-N 1 0 419.530 -0.982 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)c1=O ZINC000608688304 1071178990 /nfs/dbraw/zinc/17/89/90/1071178990.db2.gz UAYIMVMAXLKGFU-QGZVFWFLSA-N 1 0 419.530 -0.982 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000608698539 1071179629 /nfs/dbraw/zinc/17/96/29/1071179629.db2.gz ROUXGWPQMUJMIY-INIZCTEOSA-N 1 0 402.565 -0.710 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000608698548 1071179814 /nfs/dbraw/zinc/17/98/14/1071179814.db2.gz ROUXGWPQMUJMIY-MRXNPFEDSA-N 1 0 402.565 -0.710 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000608709372 1071179849 /nfs/dbraw/zinc/17/98/49/1071179849.db2.gz XJYXRCZLJSAFLV-INIZCTEOSA-N 1 0 404.581 -0.606 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000608709373 1071179730 /nfs/dbraw/zinc/17/97/30/1071179730.db2.gz XJYXRCZLJSAFLV-MRXNPFEDSA-N 1 0 404.581 -0.606 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736873 1071182198 /nfs/dbraw/zinc/18/21/98/1071182198.db2.gz PDEGROULKQSMPX-DOTOQJQBSA-N 1 0 417.514 -0.137 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736874 1071182073 /nfs/dbraw/zinc/18/20/73/1071182073.db2.gz PDEGROULKQSMPX-NVXWUHKLSA-N 1 0 417.514 -0.137 20 0 HBADRO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736875 1071182330 /nfs/dbraw/zinc/18/23/30/1071182330.db2.gz PDEGROULKQSMPX-RDJZCZTQSA-N 1 0 417.514 -0.137 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736876 1071182384 /nfs/dbraw/zinc/18/23/84/1071182384.db2.gz PDEGROULKQSMPX-WBVHZDCISA-N 1 0 417.514 -0.137 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000608857865 1068332650 /nfs/dbraw/zinc/33/26/50/1068332650.db2.gz GYUAHCBZIIZIJX-INIZCTEOSA-N 1 0 416.544 -0.080 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000608857868 1068332603 /nfs/dbraw/zinc/33/26/03/1068332603.db2.gz GYUAHCBZIIZIJX-MRXNPFEDSA-N 1 0 416.544 -0.080 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608858248 1071186641 /nfs/dbraw/zinc/18/66/41/1071186641.db2.gz RNQFPEQWKWNNEV-CABCVRRESA-N 1 0 402.517 -0.327 20 0 HBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608858251 1071186596 /nfs/dbraw/zinc/18/65/96/1071186596.db2.gz RNQFPEQWKWNNEV-GJZGRUSLSA-N 1 0 402.517 -0.327 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608858252 1071186434 /nfs/dbraw/zinc/18/64/34/1071186434.db2.gz RNQFPEQWKWNNEV-HUUCEWRRSA-N 1 0 402.517 -0.327 20 0 HBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608858255 1071186393 /nfs/dbraw/zinc/18/63/93/1071186393.db2.gz RNQFPEQWKWNNEV-LSDHHAIUSA-N 1 0 402.517 -0.327 20 0 HBADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000608862345 1071185602 /nfs/dbraw/zinc/18/56/02/1071185602.db2.gz DHEDEXRAEFOTQV-INIZCTEOSA-N 1 0 410.515 -0.737 20 0 HBADRO COC(=O)[C@H](C)C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000608862357 1068334322 /nfs/dbraw/zinc/33/43/22/1068334322.db2.gz DHEDEXRAEFOTQV-MRXNPFEDSA-N 1 0 410.515 -0.737 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608867029 1068335709 /nfs/dbraw/zinc/33/57/09/1068335709.db2.gz IXDWVXZKMQMRSQ-CABCVRRESA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608867030 1068335621 /nfs/dbraw/zinc/33/56/21/1068335621.db2.gz IXDWVXZKMQMRSQ-GJZGRUSLSA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608867031 1068335456 /nfs/dbraw/zinc/33/54/56/1068335456.db2.gz IXDWVXZKMQMRSQ-HUUCEWRRSA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608867032 1068335256 /nfs/dbraw/zinc/33/52/56/1068335256.db2.gz IXDWVXZKMQMRSQ-LSDHHAIUSA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000609076128 1071255604 /nfs/dbraw/zinc/25/56/04/1071255604.db2.gz JLNDGHXJVVUSGD-HNNXBMFYSA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000609076129 1068341243 /nfs/dbraw/zinc/34/12/43/1068341243.db2.gz JLNDGHXJVVUSGD-OAHLLOKOSA-N 1 0 404.533 -0.317 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000609134738 1071476496 /nfs/dbraw/zinc/47/64/96/1071476496.db2.gz ORIYISAWHKJUSH-INIZCTEOSA-N 1 0 416.544 -0.254 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000609134739 1071476367 /nfs/dbraw/zinc/47/63/67/1071476367.db2.gz ORIYISAWHKJUSH-MRXNPFEDSA-N 1 0 416.544 -0.254 20 0 HBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000609146519 1071512164 /nfs/dbraw/zinc/51/21/64/1071512164.db2.gz ODVLHJCZMUKVSQ-INIZCTEOSA-N 1 0 418.560 -0.008 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000609146520 1071512047 /nfs/dbraw/zinc/51/20/47/1071512047.db2.gz ODVLHJCZMUKVSQ-MRXNPFEDSA-N 1 0 418.560 -0.008 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000609196828 1071605218 /nfs/dbraw/zinc/60/52/18/1071605218.db2.gz UMIZWPCGQOWQFO-HNNXBMFYSA-N 1 0 404.533 -0.352 20 0 HBADRO COC(=O)C1CCN(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000609196838 1071605257 /nfs/dbraw/zinc/60/52/57/1071605257.db2.gz UMIZWPCGQOWQFO-OAHLLOKOSA-N 1 0 404.533 -0.352 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000609212862 1071625343 /nfs/dbraw/zinc/62/53/43/1071625343.db2.gz CSRQYTYTNIOJQS-INIZCTEOSA-N 1 0 406.487 -0.038 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000609212863 1071625388 /nfs/dbraw/zinc/62/53/88/1071625388.db2.gz CSRQYTYTNIOJQS-MRXNPFEDSA-N 1 0 406.487 -0.038 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000609310677 1072032820 /nfs/dbraw/zinc/03/28/20/1072032820.db2.gz OCEZHUZKPGTPAX-HNNXBMFYSA-N 1 0 417.514 -0.938 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000609310678 1072033302 /nfs/dbraw/zinc/03/33/02/1072033302.db2.gz OCEZHUZKPGTPAX-OAHLLOKOSA-N 1 0 417.514 -0.938 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000609311741 1072033976 /nfs/dbraw/zinc/03/39/76/1072033976.db2.gz MTIINWCRAVDGNO-HNNXBMFYSA-N 1 0 400.483 -0.516 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000609311745 1072033884 /nfs/dbraw/zinc/03/38/84/1072033884.db2.gz MTIINWCRAVDGNO-OAHLLOKOSA-N 1 0 400.483 -0.516 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609323610 1072054605 /nfs/dbraw/zinc/05/46/05/1072054605.db2.gz CYVQVRGENLFVTO-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609323613 1072054661 /nfs/dbraw/zinc/05/46/61/1072054661.db2.gz CYVQVRGENLFVTO-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609331667 1072059209 /nfs/dbraw/zinc/05/92/09/1072059209.db2.gz DXYUSOYRJQMOJC-CABCVRRESA-N 1 0 420.601 -0.012 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609331672 1072059351 /nfs/dbraw/zinc/05/93/51/1072059351.db2.gz DXYUSOYRJQMOJC-GJZGRUSLSA-N 1 0 420.601 -0.012 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609331674 1068363274 /nfs/dbraw/zinc/36/32/74/1068363274.db2.gz DXYUSOYRJQMOJC-HUUCEWRRSA-N 1 0 420.601 -0.012 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609331676 1072059249 /nfs/dbraw/zinc/05/92/49/1072059249.db2.gz DXYUSOYRJQMOJC-LSDHHAIUSA-N 1 0 420.601 -0.012 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000609519314 1072065771 /nfs/dbraw/zinc/06/57/71/1072065771.db2.gz UEMCNQOCXDBROW-PMACEKPBSA-N 1 0 421.586 -0.062 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000609519315 1072065542 /nfs/dbraw/zinc/06/55/42/1072065542.db2.gz UEMCNQOCXDBROW-UXHICEINSA-N 1 0 421.586 -0.062 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000609519316 1072065468 /nfs/dbraw/zinc/06/54/68/1072065468.db2.gz UEMCNQOCXDBROW-VQTJNVASSA-N 1 0 421.586 -0.062 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000609519317 1072065701 /nfs/dbraw/zinc/06/57/01/1072065701.db2.gz UEMCNQOCXDBROW-WOJBJXKFSA-N 1 0 421.586 -0.062 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000609531396 1072066370 /nfs/dbraw/zinc/06/63/70/1072066370.db2.gz WVCQHRSXTNOHNF-AWEZNQCLSA-N 1 0 416.569 -0.192 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000609531431 1072066421 /nfs/dbraw/zinc/06/64/21/1072066421.db2.gz WVCQHRSXTNOHNF-CQSZACIVSA-N 1 0 416.569 -0.192 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668010 1072070811 /nfs/dbraw/zinc/07/08/11/1072070811.db2.gz DHLUDHPALBAIDQ-CVEARBPZSA-N 1 0 422.617 -0.430 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668012 1072070563 /nfs/dbraw/zinc/07/05/63/1072070563.db2.gz DHLUDHPALBAIDQ-HOTGVXAUSA-N 1 0 422.617 -0.430 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668014 1072071301 /nfs/dbraw/zinc/07/13/01/1072071301.db2.gz DHLUDHPALBAIDQ-HZPDHXFCSA-N 1 0 422.617 -0.430 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668015 1072071338 /nfs/dbraw/zinc/07/13/38/1072071338.db2.gz DHLUDHPALBAIDQ-JKSUJKDBSA-N 1 0 422.617 -0.430 20 0 HBADRO O=C(CSCC(=O)N1CCOCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668694 1072071379 /nfs/dbraw/zinc/07/13/79/1072071379.db2.gz XWMKCZLVSWEBTH-INIZCTEOSA-N 1 0 400.545 -0.899 20 0 HBADRO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668695 1072071254 /nfs/dbraw/zinc/07/12/54/1072071254.db2.gz XWMKCZLVSWEBTH-MRXNPFEDSA-N 1 0 400.545 -0.899 20 0 HBADRO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000609848004 1071287365 /nfs/dbraw/zinc/28/73/65/1071287365.db2.gz SFDMUCCYBSEYQI-INIZCTEOSA-N 1 0 410.515 -0.343 20 0 HBADRO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000609848005 1071287441 /nfs/dbraw/zinc/28/74/41/1071287441.db2.gz SFDMUCCYBSEYQI-MRXNPFEDSA-N 1 0 410.515 -0.343 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)CC1 ZINC000609931537 1069616369 /nfs/dbraw/zinc/61/63/69/1069616369.db2.gz WTRADUOLYXKQMW-KRWDZBQOSA-N 1 0 419.530 -0.014 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)CC1 ZINC000609931539 1069616458 /nfs/dbraw/zinc/61/64/58/1069616458.db2.gz WTRADUOLYXKQMW-QGZVFWFLSA-N 1 0 419.530 -0.014 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)C2)CC1 ZINC000609945010 1071307135 /nfs/dbraw/zinc/30/71/35/1071307135.db2.gz IPMYFIFELYLITL-INIZCTEOSA-N 1 0 423.539 -0.181 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)C2)CC1 ZINC000609945011 1071307257 /nfs/dbraw/zinc/30/72/57/1071307257.db2.gz IPMYFIFELYLITL-MRXNPFEDSA-N 1 0 423.539 -0.181 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccc2O1 ZINC000609954020 1071308541 /nfs/dbraw/zinc/30/85/41/1071308541.db2.gz NQWOKQAPGDQBCX-GDBMZVCRSA-N 1 0 418.450 -0.590 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc2O1 ZINC000609954021 1071308675 /nfs/dbraw/zinc/30/86/75/1071308675.db2.gz NQWOKQAPGDQBCX-GOEBONIOSA-N 1 0 418.450 -0.590 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc2O1 ZINC000609954022 1072081196 /nfs/dbraw/zinc/08/11/96/1072081196.db2.gz NQWOKQAPGDQBCX-HOCLYGCPSA-N 1 0 418.450 -0.590 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccc2O1 ZINC000609954023 1072081120 /nfs/dbraw/zinc/08/11/20/1072081120.db2.gz NQWOKQAPGDQBCX-ZBFHGGJFSA-N 1 0 418.450 -0.590 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000609988828 1072082123 /nfs/dbraw/zinc/08/21/23/1072082123.db2.gz YGHZWRLKEDLIQS-HNNXBMFYSA-N 1 0 414.510 -0.207 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)C2)CC1 ZINC000609988829 1071315207 /nfs/dbraw/zinc/31/52/07/1071315207.db2.gz YGHZWRLKEDLIQS-OAHLLOKOSA-N 1 0 414.510 -0.207 20 0 HBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000610000445 1072083315 /nfs/dbraw/zinc/08/33/15/1072083315.db2.gz HSUCKWWPLJTIDY-UHFFFAOYSA-N 1 0 407.496 -0.105 20 0 HBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000610004967 1072083580 /nfs/dbraw/zinc/08/35/80/1072083580.db2.gz XGQFDABTLDPGIT-UHFFFAOYSA-N 1 0 406.487 -0.543 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CSCC(=O)N2CCOCC2)cn1 ZINC000610201107 1068238486 /nfs/dbraw/zinc/23/84/86/1068238486.db2.gz YHHIIXBSKXSXKJ-UHFFFAOYSA-N 1 0 412.516 -0.909 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnn(CC(=O)NCCOC)c3)C2)CC1 ZINC000610478799 1068461255 /nfs/dbraw/zinc/46/12/55/1068461255.db2.gz PYNPQTXIJBTDEY-KRWDZBQOSA-N 1 0 407.519 -0.111 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NCCOC)c3)C2)CC1 ZINC000610478800 1068461029 /nfs/dbraw/zinc/46/10/29/1068461029.db2.gz PYNPQTXIJBTDEY-QGZVFWFLSA-N 1 0 407.519 -0.111 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)CC1 ZINC000610478826 1068461931 /nfs/dbraw/zinc/46/19/31/1068461931.db2.gz WONYHDMMMSRFEB-GOSISDBHSA-N 1 0 419.530 -0.014 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)CC1 ZINC000610478827 1068462100 /nfs/dbraw/zinc/46/21/00/1068462100.db2.gz WONYHDMMMSRFEB-SFHVURJKSA-N 1 0 419.530 -0.014 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611072260 1069704065 /nfs/dbraw/zinc/70/40/65/1069704065.db2.gz MJZRSBWDBLVOJA-HNNXBMFYSA-N 1 0 406.487 -0.051 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611072261 1069704183 /nfs/dbraw/zinc/70/41/83/1069704183.db2.gz MJZRSBWDBLVOJA-OAHLLOKOSA-N 1 0 406.487 -0.051 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000611098405 1069706099 /nfs/dbraw/zinc/70/60/99/1069706099.db2.gz FNNFMEBSTDLSSV-GASCZTMLSA-N 1 0 422.482 -0.035 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1=O ZINC000611098406 1069706133 /nfs/dbraw/zinc/70/61/33/1069706133.db2.gz FNNFMEBSTDLSSV-GJZGRUSLSA-N 1 0 422.482 -0.035 20 0 HBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000611098407 1069706068 /nfs/dbraw/zinc/70/60/68/1069706068.db2.gz FNNFMEBSTDLSSV-HUUCEWRRSA-N 1 0 422.482 -0.035 20 0 HBADRO COC(=O)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374355 1069710749 /nfs/dbraw/zinc/71/07/49/1069710749.db2.gz RCFALFYDDRFFHC-MSOLQXFVSA-N 1 0 411.547 -0.328 20 0 HBADRO COC(=O)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374356 1069710642 /nfs/dbraw/zinc/71/06/42/1069710642.db2.gz RCFALFYDDRFFHC-QZTJIDSGSA-N 1 0 411.547 -0.328 20 0 HBADRO COC(=O)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374357 1069710851 /nfs/dbraw/zinc/71/08/51/1069710851.db2.gz RCFALFYDDRFFHC-ROUUACIJSA-N 1 0 411.547 -0.328 20 0 HBADRO COC(=O)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374358 1069710721 /nfs/dbraw/zinc/71/07/21/1069710721.db2.gz RCFALFYDDRFFHC-ZWKOTPCHSA-N 1 0 411.547 -0.328 20 0 HBADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000611562638 1068623206 /nfs/dbraw/zinc/62/32/06/1068623206.db2.gz YCVBFSVSJPLKLX-GXTWGEPZSA-N 1 0 406.468 -0.069 20 0 HBADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000611562646 1068623241 /nfs/dbraw/zinc/62/32/41/1068623241.db2.gz YCVBFSVSJPLKLX-JSGCOSHPSA-N 1 0 406.468 -0.069 20 0 HBADRO C[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000611562648 1068623178 /nfs/dbraw/zinc/62/31/78/1068623178.db2.gz YCVBFSVSJPLKLX-OCCSQVGLSA-N 1 0 406.468 -0.069 20 0 HBADRO C[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000611562650 1069310974 /nfs/dbraw/zinc/31/09/74/1069310974.db2.gz YCVBFSVSJPLKLX-TZMCWYRMSA-N 1 0 406.468 -0.069 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000611647565 1068709054 /nfs/dbraw/zinc/70/90/54/1068709054.db2.gz VOPZQZZESWBAMP-UHFFFAOYSA-N 1 0 416.592 -0.320 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000611724724 1068731309 /nfs/dbraw/zinc/73/13/09/1068731309.db2.gz KBNXYMALMYCMPA-GOSISDBHSA-N 1 0 411.547 -0.471 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000611724737 1068731646 /nfs/dbraw/zinc/73/16/46/1068731646.db2.gz KBNXYMALMYCMPA-SFHVURJKSA-N 1 0 411.547 -0.471 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612175876 1068925468 /nfs/dbraw/zinc/92/54/68/1068925468.db2.gz WZDCOIIZMXTLLY-UHFFFAOYSA-N 1 0 417.447 -0.014 20 0 HBADRO O=C(NCCC[NH+]1CCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000612186596 1068927646 /nfs/dbraw/zinc/92/76/46/1068927646.db2.gz CPONFAQBAYDRLQ-UHFFFAOYSA-N 1 0 403.549 -0.233 20 0 HBADRO CC1CC[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000612189554 1068927808 /nfs/dbraw/zinc/92/78/08/1068927808.db2.gz GUMNTKXVLBIERM-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000612216912 1068929745 /nfs/dbraw/zinc/92/97/45/1068929745.db2.gz KEFICWBTVPKIDS-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000612216913 1068929806 /nfs/dbraw/zinc/92/98/06/1068929806.db2.gz KEFICWBTVPKIDS-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000612222648 1068929773 /nfs/dbraw/zinc/92/97/73/1068929773.db2.gz MNAUFBSGUGJYEG-AWEZNQCLSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000612222653 1069627290 /nfs/dbraw/zinc/62/72/90/1069627290.db2.gz MNAUFBSGUGJYEG-CQSZACIVSA-N 1 0 406.487 -0.226 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)cn2)CC1 ZINC000612306285 1068935517 /nfs/dbraw/zinc/93/55/17/1068935517.db2.gz CEYSHBRJLVFYFQ-UHFFFAOYSA-N 1 0 415.542 -0.061 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000612316083 1068935716 /nfs/dbraw/zinc/93/57/16/1068935716.db2.gz ALLODAXSQACVNI-CALCHBBNSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000612316084 1068935745 /nfs/dbraw/zinc/93/57/45/1068935745.db2.gz ALLODAXSQACVNI-IAGOWNOFSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000612316085 1068935429 /nfs/dbraw/zinc/93/54/29/1068935429.db2.gz ALLODAXSQACVNI-IRXDYDNUSA-N 1 0 409.531 -0.038 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000612316469 1068935469 /nfs/dbraw/zinc/93/54/69/1068935469.db2.gz UZTVPYBKTZJINJ-HDICACEKSA-N 1 0 411.547 -0.328 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000612316473 1068935620 /nfs/dbraw/zinc/93/56/20/1068935620.db2.gz UZTVPYBKTZJINJ-QZTJIDSGSA-N 1 0 411.547 -0.328 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000612316474 1068935663 /nfs/dbraw/zinc/93/56/63/1068935663.db2.gz UZTVPYBKTZJINJ-ROUUACIJSA-N 1 0 411.547 -0.328 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000612331842 1068936975 /nfs/dbraw/zinc/93/69/75/1068936975.db2.gz GDDDGPBHAQBUFZ-UHFFFAOYSA-N 1 0 408.547 -0.511 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000612334116 1068937225 /nfs/dbraw/zinc/93/72/25/1068937225.db2.gz ZEWWMPIDVXENNW-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336132 1068938059 /nfs/dbraw/zinc/93/80/59/1068938059.db2.gz HIKVQCRBYFSFIV-KRWDZBQOSA-N 1 0 408.547 -0.609 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336133 1068938274 /nfs/dbraw/zinc/93/82/74/1068938274.db2.gz HIKVQCRBYFSFIV-QGZVFWFLSA-N 1 0 408.547 -0.609 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336234 1068938120 /nfs/dbraw/zinc/93/81/20/1068938120.db2.gz JAHMTFGPQGNGST-IBGZPJMESA-N 1 0 424.590 -0.556 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336239 1068938171 /nfs/dbraw/zinc/93/81/71/1068938171.db2.gz JAHMTFGPQGNGST-LJQANCHMSA-N 1 0 424.590 -0.556 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336244 1068938200 /nfs/dbraw/zinc/93/82/00/1068938200.db2.gz JPEGSYKVCNNIAW-GOSISDBHSA-N 1 0 422.574 -0.265 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612336248 1068938031 /nfs/dbraw/zinc/93/80/31/1068938031.db2.gz JPEGSYKVCNNIAW-SFHVURJKSA-N 1 0 422.574 -0.265 20 0 HBADRO CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000612338489 1068937580 /nfs/dbraw/zinc/93/75/80/1068937580.db2.gz IYOARTMBWISSON-INIZCTEOSA-N 1 0 404.581 -0.608 20 0 HBADRO CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000612338496 1068937316 /nfs/dbraw/zinc/93/73/16/1068937316.db2.gz IYOARTMBWISSON-MRXNPFEDSA-N 1 0 404.581 -0.608 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000612338649 1068937435 /nfs/dbraw/zinc/93/74/35/1068937435.db2.gz ONDPVPGDTNYSSY-KRWDZBQOSA-N 1 0 410.563 -0.363 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000612338651 1068937601 /nfs/dbraw/zinc/93/76/01/1068937601.db2.gz ONDPVPGDTNYSSY-QGZVFWFLSA-N 1 0 410.563 -0.363 20 0 HBADRO CS(=O)(=O)NCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000612356506 1068939318 /nfs/dbraw/zinc/93/93/18/1068939318.db2.gz VUGMVXLMRSXGEU-UHFFFAOYSA-N 1 0 403.549 -0.441 20 0 HBADRO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000612714749 1068957746 /nfs/dbraw/zinc/95/77/46/1068957746.db2.gz CVUJIMXRKFQHSI-UHFFFAOYSA-N 1 0 407.471 -0.035 20 0 HBADRO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000612717777 1068958368 /nfs/dbraw/zinc/95/83/68/1068958368.db2.gz COWSOKBAHXZUFS-UHFFFAOYSA-N 1 0 405.455 -0.185 20 0 HBADRO COC(=O)c1cn([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000612812969 1068963135 /nfs/dbraw/zinc/96/31/35/1068963135.db2.gz SCNACXUSCBLEOV-CVEARBPZSA-N 1 0 421.502 -0.572 20 0 HBADRO COC(=O)c1cn([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000612812970 1068963146 /nfs/dbraw/zinc/96/31/46/1068963146.db2.gz SCNACXUSCBLEOV-HOTGVXAUSA-N 1 0 421.502 -0.572 20 0 HBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000612812971 1068963036 /nfs/dbraw/zinc/96/30/36/1068963036.db2.gz SCNACXUSCBLEOV-HZPDHXFCSA-N 1 0 421.502 -0.572 20 0 HBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000612812972 1068962897 /nfs/dbraw/zinc/96/28/97/1068962897.db2.gz SCNACXUSCBLEOV-JKSUJKDBSA-N 1 0 421.502 -0.572 20 0 HBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)nn1 ZINC000613032820 1068971138 /nfs/dbraw/zinc/97/11/38/1068971138.db2.gz RCWOOQFFHQQZRJ-AWEZNQCLSA-N 1 0 418.458 -0.375 20 0 HBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)nn1 ZINC000613032821 1068970981 /nfs/dbraw/zinc/97/09/81/1068970981.db2.gz RCWOOQFFHQQZRJ-CQSZACIVSA-N 1 0 418.458 -0.375 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)nc2n(C)c1=O ZINC000613345656 1068994322 /nfs/dbraw/zinc/99/43/22/1068994322.db2.gz BSXBQXVPKSUFLX-UHFFFAOYSA-N 1 0 423.477 -0.291 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000613440240 1068999702 /nfs/dbraw/zinc/99/97/02/1068999702.db2.gz GTXRHYYSVISHAO-GOSISDBHSA-N 1 0 423.558 -0.774 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000613440241 1068999334 /nfs/dbraw/zinc/99/93/34/1068999334.db2.gz GTXRHYYSVISHAO-SFHVURJKSA-N 1 0 423.558 -0.774 20 0 HBADRO O=C(CN1CCN(C(=O)CN2CCC([NH+]3CCCCC3)CC2)CC1)N1CCOCC1 ZINC000613455351 1068999468 /nfs/dbraw/zinc/99/94/68/1068999468.db2.gz NSGUJFMCWGZOCU-UHFFFAOYSA-N 1 0 421.586 -0.060 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000613550562 1069016809 /nfs/dbraw/zinc/01/68/09/1069016809.db2.gz FELWWNLQWGUUGG-UHFFFAOYSA-N 1 0 423.539 -0.285 20 0 HBADRO COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000613550589 1069016921 /nfs/dbraw/zinc/01/69/21/1069016921.db2.gz JOANNGWSFMRQJM-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000613552359 1069017540 /nfs/dbraw/zinc/01/75/40/1069017540.db2.gz FCAJOWFCRFYQNY-BXWFABGCSA-N 1 0 400.479 -0.352 20 0 HBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000613552361 1069017513 /nfs/dbraw/zinc/01/75/13/1069017513.db2.gz FCAJOWFCRFYQNY-TXPKVOOTSA-N 1 0 400.479 -0.352 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613553227 1069017446 /nfs/dbraw/zinc/01/74/46/1069017446.db2.gz WCSNYZUGPJTHLD-HOTGVXAUSA-N 1 0 408.524 -0.321 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613553228 1069017387 /nfs/dbraw/zinc/01/73/87/1069017387.db2.gz WCSNYZUGPJTHLD-HZPDHXFCSA-N 1 0 408.524 -0.321 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613553229 1069017589 /nfs/dbraw/zinc/01/75/89/1069017589.db2.gz WCSNYZUGPJTHLD-IYBDPMFKSA-N 1 0 408.524 -0.321 20 0 HBADRO COCCN(C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000613555766 1069017808 /nfs/dbraw/zinc/01/78/08/1069017808.db2.gz ZADRBUDEALJGSM-KBPBESRZSA-N 1 0 408.503 -0.682 20 0 HBADRO COCCN(C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000613555770 1069018403 /nfs/dbraw/zinc/01/84/03/1069018403.db2.gz ZADRBUDEALJGSM-OKILXGFUSA-N 1 0 408.503 -0.682 20 0 HBADRO COCCN(C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000613555773 1069018483 /nfs/dbraw/zinc/01/84/83/1069018483.db2.gz ZADRBUDEALJGSM-ZIAGYGMSSA-N 1 0 408.503 -0.682 20 0 HBADRO CN(CCCNC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)S(C)(=O)=O ZINC000613612739 1069026721 /nfs/dbraw/zinc/02/67/21/1069026721.db2.gz MYXNWAKNZFUVLQ-UHFFFAOYSA-N 1 0 416.466 -0.225 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000613619869 1069027043 /nfs/dbraw/zinc/02/70/43/1069027043.db2.gz LFKZJRQPBNSHKA-HNNXBMFYSA-N 1 0 400.501 -0.029 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000613619870 1069027079 /nfs/dbraw/zinc/02/70/79/1069027079.db2.gz LFKZJRQPBNSHKA-OAHLLOKOSA-N 1 0 400.501 -0.029 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000613726090 1069089077 /nfs/dbraw/zinc/08/90/77/1069089077.db2.gz MZHIOYRBZCABIE-UHFFFAOYSA-N 1 0 400.487 -0.401 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000613844445 1069225169 /nfs/dbraw/zinc/22/51/69/1069225169.db2.gz ZFPLSUFWWNPRCE-UHFFFAOYSA-N 1 0 420.539 -0.238 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)nc2n(C)c1=O ZINC000613971503 1069285971 /nfs/dbraw/zinc/28/59/71/1069285971.db2.gz LJHUFPCVBDPJNB-UHFFFAOYSA-N 1 0 401.467 -0.183 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613993451 1069295537 /nfs/dbraw/zinc/29/55/37/1069295537.db2.gz PPGOSEGMUHCPQR-KBPBESRZSA-N 1 0 408.503 -0.538 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613993464 1069295553 /nfs/dbraw/zinc/29/55/53/1069295553.db2.gz PPGOSEGMUHCPQR-OKILXGFUSA-N 1 0 408.503 -0.538 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(=O)[nH]c1=O ZINC000613993469 1069295544 /nfs/dbraw/zinc/29/55/44/1069295544.db2.gz PPGOSEGMUHCPQR-ZIAGYGMSSA-N 1 0 408.503 -0.538 20 0 HBADRO COc1ccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000613993726 1069294924 /nfs/dbraw/zinc/29/49/24/1069294924.db2.gz VLRKSXOEIIMVOT-GJZGRUSLSA-N 1 0 424.523 -0.194 20 0 HBADRO COc1ccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000613993737 1069295672 /nfs/dbraw/zinc/29/56/72/1069295672.db2.gz VLRKSXOEIIMVOT-HUUCEWRRSA-N 1 0 424.523 -0.194 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613994743 1069297790 /nfs/dbraw/zinc/29/77/90/1069297790.db2.gz BEDUPNRFLRNFPR-HDICACEKSA-N 1 0 420.535 -0.127 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613994744 1069298205 /nfs/dbraw/zinc/29/82/05/1069298205.db2.gz BEDUPNRFLRNFPR-QZTJIDSGSA-N 1 0 420.535 -0.127 20 0 HBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613994745 1069298323 /nfs/dbraw/zinc/29/83/23/1069298323.db2.gz BEDUPNRFLRNFPR-ROUUACIJSA-N 1 0 420.535 -0.127 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000613996715 1069301583 /nfs/dbraw/zinc/30/15/83/1069301583.db2.gz RRVRHFMSCHKFHX-IAGOWNOFSA-N 1 0 408.524 -0.525 20 0 HBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000613996716 1069301920 /nfs/dbraw/zinc/30/19/20/1069301920.db2.gz RRVRHFMSCHKFHX-IRXDYDNUSA-N 1 0 408.524 -0.525 20 0 HBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997295 1069303145 /nfs/dbraw/zinc/30/31/45/1069303145.db2.gz WFWVLEPAVGKOTN-KBPBESRZSA-N 1 0 414.478 -0.051 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997299 1069303881 /nfs/dbraw/zinc/30/38/81/1069303881.db2.gz WFWVLEPAVGKOTN-OKILXGFUSA-N 1 0 414.478 -0.051 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997300 1069303956 /nfs/dbraw/zinc/30/39/56/1069303956.db2.gz WFWVLEPAVGKOTN-ZIAGYGMSSA-N 1 0 414.478 -0.051 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997408 1069303402 /nfs/dbraw/zinc/30/34/02/1069303402.db2.gz YANHBWTXSZOIQU-HDICACEKSA-N 1 0 420.535 -0.127 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000613997410 1069303246 /nfs/dbraw/zinc/30/32/46/1069303246.db2.gz YANHBWTXSZOIQU-QZTJIDSGSA-N 1 0 420.535 -0.127 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997411 1069303474 /nfs/dbraw/zinc/30/34/74/1069303474.db2.gz YANHBWTXSZOIQU-ROUUACIJSA-N 1 0 420.535 -0.127 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000613997638 1069303864 /nfs/dbraw/zinc/30/38/64/1069303864.db2.gz ZAUKERZSVZBNIL-CALCHBBNSA-N 1 0 408.524 -0.525 20 0 HBADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000613997642 1069303725 /nfs/dbraw/zinc/30/37/25/1069303725.db2.gz ZAUKERZSVZBNIL-IAGOWNOFSA-N 1 0 408.524 -0.525 20 0 HBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000613997645 1069303847 /nfs/dbraw/zinc/30/38/47/1069303847.db2.gz ZAUKERZSVZBNIL-IRXDYDNUSA-N 1 0 408.524 -0.525 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613997667 1069303109 /nfs/dbraw/zinc/30/31/09/1069303109.db2.gz ZWCILZIPXKDYKK-KFWWJZLASA-N 1 0 422.530 -0.150 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613997672 1069302709 /nfs/dbraw/zinc/30/27/09/1069302709.db2.gz ZWCILZIPXKDYKK-KKUMJFAQSA-N 1 0 422.530 -0.150 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)c(=O)[nH]c1=O ZINC000613997675 1069302823 /nfs/dbraw/zinc/30/28/23/1069302823.db2.gz ZWCILZIPXKDYKK-RRFJBIMHSA-N 1 0 422.530 -0.150 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613997678 1069302696 /nfs/dbraw/zinc/30/26/96/1069302696.db2.gz ZWCILZIPXKDYKK-SOUVJXGZSA-N 1 0 422.530 -0.150 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(OCC[NH+](C)C)c1)c(=O)n2C ZINC000614176057 1069395335 /nfs/dbraw/zinc/39/53/35/1069395335.db2.gz JUQDWZYOANANPN-UHFFFAOYSA-N 1 0 414.466 -0.310 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000614618772 1070686896 /nfs/dbraw/zinc/68/68/96/1070686896.db2.gz VLMNWONDWSRGNI-AWEZNQCLSA-N 1 0 404.558 -0.244 20 0 HBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000614618773 1070686770 /nfs/dbraw/zinc/68/67/70/1070686770.db2.gz VLMNWONDWSRGNI-CQSZACIVSA-N 1 0 404.558 -0.244 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000614713469 1071109851 /nfs/dbraw/zinc/10/98/51/1071109851.db2.gz XHPKHTXBZPSUGQ-KRWDZBQOSA-N 1 0 411.547 -0.328 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000614713470 1071109967 /nfs/dbraw/zinc/10/99/67/1071109967.db2.gz XHPKHTXBZPSUGQ-QGZVFWFLSA-N 1 0 411.547 -0.328 20 0 HBADRO COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315081 1072131505 /nfs/dbraw/zinc/13/15/05/1072131505.db2.gz AFKNSQPVCAYFNF-AWEZNQCLSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315082 1072131562 /nfs/dbraw/zinc/13/15/62/1072131562.db2.gz AFKNSQPVCAYFNF-CQSZACIVSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315098 1072091080 /nfs/dbraw/zinc/09/10/80/1072091080.db2.gz BRGBJFQRUIJBIK-KRWDZBQOSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315101 1072091223 /nfs/dbraw/zinc/09/12/23/1072091223.db2.gz BRGBJFQRUIJBIK-QGZVFWFLSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315118 1072091190 /nfs/dbraw/zinc/09/11/90/1072091190.db2.gz DFUMAQMAHKSBHE-AWEZNQCLSA-N 1 0 407.471 -0.429 20 0 HBADRO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315121 1072090884 /nfs/dbraw/zinc/09/08/84/1072090884.db2.gz DFUMAQMAHKSBHE-CQSZACIVSA-N 1 0 407.471 -0.429 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1C ZINC000615315135 1072090923 /nfs/dbraw/zinc/09/09/23/1072090923.db2.gz FGEPXBYSCRFPRZ-HNNXBMFYSA-N 1 0 421.498 -0.337 20 0 HBADRO CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1C ZINC000615315142 1072090957 /nfs/dbraw/zinc/09/09/57/1072090957.db2.gz FGEPXBYSCRFPRZ-OAHLLOKOSA-N 1 0 421.498 -0.337 20 0 HBADRO COC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315193 1072090760 /nfs/dbraw/zinc/09/07/60/1072090760.db2.gz HUUYGIKTTOMCGN-HNNXBMFYSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315196 1072091022 /nfs/dbraw/zinc/09/10/22/1072091022.db2.gz HUUYGIKTTOMCGN-OAHLLOKOSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315270 1072090719 /nfs/dbraw/zinc/09/07/19/1072090719.db2.gz JVAPSUALNBUFFR-KRWDZBQOSA-N 1 0 418.494 -0.137 20 0 HBADRO COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315288 1072091162 /nfs/dbraw/zinc/09/11/62/1072091162.db2.gz JVAPSUALNBUFFR-QGZVFWFLSA-N 1 0 418.494 -0.137 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000615315696 1072090679 /nfs/dbraw/zinc/09/06/79/1072090679.db2.gz MWIMXIROHLJCCT-KRWDZBQOSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000615315697 1072090985 /nfs/dbraw/zinc/09/09/85/1072090985.db2.gz MWIMXIROHLJCCT-QGZVFWFLSA-N 1 0 404.467 -0.066 20 0 HBADRO COC(=O)c1sccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315700 1072091599 /nfs/dbraw/zinc/09/15/99/1072091599.db2.gz MYBQIDNJLKEZRU-CYBMUJFWSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)c1sccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315702 1072091473 /nfs/dbraw/zinc/09/14/73/1072091473.db2.gz MYBQIDNJLKEZRU-ZDUSSCGKSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315746 1072091759 /nfs/dbraw/zinc/09/17/59/1072091759.db2.gz PBZHOPINJNCZRN-CYBMUJFWSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315747 1072091526 /nfs/dbraw/zinc/09/15/26/1072091526.db2.gz PBZHOPINJNCZRN-ZDUSSCGKSA-N 1 0 410.496 -0.004 20 0 HBADRO COC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315805 1072091109 /nfs/dbraw/zinc/09/11/09/1072091109.db2.gz RDLMSJDAUGVIAJ-GOSISDBHSA-N 1 0 418.494 -0.137 20 0 HBADRO COC(=O)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000615315809 1072090841 /nfs/dbraw/zinc/09/08/41/1072090841.db2.gz RDLMSJDAUGVIAJ-SFHVURJKSA-N 1 0 418.494 -0.137 20 0 HBADRO COC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000615315952 1072090802 /nfs/dbraw/zinc/09/08/02/1072090802.db2.gz XSUWRYAOMBVLHF-GOSISDBHSA-N 1 0 418.494 -0.137 20 0 HBADRO COC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000615315954 1072091047 /nfs/dbraw/zinc/09/10/47/1072091047.db2.gz XSUWRYAOMBVLHF-SFHVURJKSA-N 1 0 418.494 -0.137 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000615617437 1072093433 /nfs/dbraw/zinc/09/34/33/1072093433.db2.gz QIPGCRHYNGPBIJ-AWEZNQCLSA-N 1 0 406.487 -0.226 20 0 HBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000615617441 1072093570 /nfs/dbraw/zinc/09/35/70/1072093570.db2.gz QIPGCRHYNGPBIJ-CQSZACIVSA-N 1 0 406.487 -0.226 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cnn(C)c3)cn2)CC1 ZINC000615626182 1072093963 /nfs/dbraw/zinc/09/39/63/1072093963.db2.gz NBAMVEOUKWZCBA-UHFFFAOYSA-N 1 0 421.527 -0.448 20 0 HBADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000615706065 1072094972 /nfs/dbraw/zinc/09/49/72/1072094972.db2.gz MWQNEICUKRVITD-UHFFFAOYSA-N 1 0 415.560 -0.235 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(F)cc1 ZINC000615725154 1072094986 /nfs/dbraw/zinc/09/49/86/1072094986.db2.gz YMZFZZIGUIBZGD-INIZCTEOSA-N 1 0 404.450 -0.031 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(F)cc1 ZINC000615725170 1072094904 /nfs/dbraw/zinc/09/49/04/1072094904.db2.gz YMZFZZIGUIBZGD-MRXNPFEDSA-N 1 0 404.450 -0.031 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000615754713 1072095084 /nfs/dbraw/zinc/09/50/84/1072095084.db2.gz BWBIYUIGZGMOCM-UHFFFAOYSA-N 1 0 409.531 -0.038 20 0 HBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000615853937 1072095928 /nfs/dbraw/zinc/09/59/28/1072095928.db2.gz INPWWQGWMMAIFD-KRWDZBQOSA-N 1 0 400.487 -0.300 20 0 HBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000615853959 1072095940 /nfs/dbraw/zinc/09/59/40/1072095940.db2.gz INPWWQGWMMAIFD-QGZVFWFLSA-N 1 0 400.487 -0.300 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000616064403 1072099136 /nfs/dbraw/zinc/09/91/36/1072099136.db2.gz XFBQGVOTOBIKOU-UHFFFAOYSA-N 1 0 404.563 -0.076 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000616115723 1069125552 /nfs/dbraw/zinc/12/55/52/1069125552.db2.gz GYCWIMYJQMEUMX-KRWDZBQOSA-N 1 0 416.592 -0.462 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000616115730 1072098941 /nfs/dbraw/zinc/09/89/41/1072098941.db2.gz GYCWIMYJQMEUMX-QGZVFWFLSA-N 1 0 416.592 -0.462 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000616116594 1072099109 /nfs/dbraw/zinc/09/91/09/1072099109.db2.gz YVYTZGZZVVSZJY-INIZCTEOSA-N 1 0 403.549 -0.378 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000616116595 1072099083 /nfs/dbraw/zinc/09/90/83/1072099083.db2.gz YVYTZGZZVVSZJY-MRXNPFEDSA-N 1 0 403.549 -0.378 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000616128912 1072099587 /nfs/dbraw/zinc/09/95/87/1072099587.db2.gz FOAHEYHPRHINDU-UHFFFAOYSA-N 1 0 413.486 -0.414 20 0 HBADRO C[NH+](C)CCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616178451 1072101144 /nfs/dbraw/zinc/10/11/44/1072101144.db2.gz QOUXYKJDZXAARN-KRWDZBQOSA-N 1 0 404.467 -0.293 20 0 HBADRO C[NH+](C)CCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616178452 1072101064 /nfs/dbraw/zinc/10/10/64/1072101064.db2.gz QOUXYKJDZXAARN-QGZVFWFLSA-N 1 0 404.467 -0.293 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)C ZINC000616192454 1072101160 /nfs/dbraw/zinc/10/11/60/1072101160.db2.gz BPDAJQQYZIGILX-UHFFFAOYSA-N 1 0 404.471 -0.194 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cnc2n(C)c1=O ZINC000616192658 1072100957 /nfs/dbraw/zinc/10/09/57/1072100957.db2.gz KFORZMSLTVPGCB-INIZCTEOSA-N 1 0 424.461 -0.010 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cnc2n(C)c1=O ZINC000616192659 1072101110 /nfs/dbraw/zinc/10/11/10/1072101110.db2.gz KFORZMSLTVPGCB-MRXNPFEDSA-N 1 0 424.461 -0.010 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3([NH+](C)C)CCCCC3)cnc2n(C)c1=O ZINC000616198683 1069130663 /nfs/dbraw/zinc/13/06/63/1069130663.db2.gz BTGCDDGGAXEUSR-UHFFFAOYSA-N 1 0 416.482 -0.049 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3([NH+](C)C)CCCC3)cnc2n(C)c1=O ZINC000616206582 1072101606 /nfs/dbraw/zinc/10/16/06/1072101606.db2.gz DKPUWODTTZQLRW-UHFFFAOYSA-N 1 0 402.455 -0.439 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000616208971 1072101658 /nfs/dbraw/zinc/10/16/58/1072101658.db2.gz JKNMSEGWHIRJND-UHFFFAOYSA-N 1 0 402.455 -0.440 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000616223234 1072101586 /nfs/dbraw/zinc/10/15/86/1072101586.db2.gz KFOLAUOPXGSJBU-UHFFFAOYSA-N 1 0 413.482 -0.759 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCCCCC3)cnc2n(C)c1=O ZINC000616223310 1072101527 /nfs/dbraw/zinc/10/15/27/1072101527.db2.gz KQBZHBLHAUHALV-UHFFFAOYSA-N 1 0 416.482 -0.047 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2O1 ZINC000616247394 1072102287 /nfs/dbraw/zinc/10/22/87/1072102287.db2.gz KMIUAMUGHLTOLS-CRAIPNDOSA-N 1 0 418.494 0.000 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2O1 ZINC000616247395 1072102360 /nfs/dbraw/zinc/10/23/60/1072102360.db2.gz KMIUAMUGHLTOLS-MAUKXSAKSA-N 1 0 418.494 0.000 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2O1 ZINC000616247396 1072102309 /nfs/dbraw/zinc/10/23/09/1072102309.db2.gz KMIUAMUGHLTOLS-QAPCUYQASA-N 1 0 418.494 0.000 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2O1 ZINC000616247397 1072102213 /nfs/dbraw/zinc/10/22/13/1072102213.db2.gz KMIUAMUGHLTOLS-YJBOKZPZSA-N 1 0 418.494 0.000 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000616247680 1072102320 /nfs/dbraw/zinc/10/23/20/1072102320.db2.gz RWWSFHLBJQLDRR-INIZCTEOSA-N 1 0 418.498 -0.571 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000616247691 1072102272 /nfs/dbraw/zinc/10/22/72/1072102272.db2.gz RWWSFHLBJQLDRR-MRXNPFEDSA-N 1 0 418.498 -0.571 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616251871 1072102375 /nfs/dbraw/zinc/10/23/75/1072102375.db2.gz MBUZJLXUBWYHED-CYBMUJFWSA-N 1 0 416.482 -0.049 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616251872 1072102342 /nfs/dbraw/zinc/10/23/42/1072102342.db2.gz MBUZJLXUBWYHED-ZDUSSCGKSA-N 1 0 416.482 -0.049 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccc(C[NH+](C)C)cc3)cnc2n(C)c1=O ZINC000616258441 1072102258 /nfs/dbraw/zinc/10/22/58/1072102258.db2.gz SCRGZVRLJPQACX-UHFFFAOYSA-N 1 0 424.461 -0.051 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000616266594 1072102697 /nfs/dbraw/zinc/10/26/97/1072102697.db2.gz IXRNGXMHGWJATO-UHFFFAOYSA-N 1 0 416.482 -0.191 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[C@H](C)O1 ZINC000616309362 1072102862 /nfs/dbraw/zinc/10/28/62/1072102862.db2.gz SLJRTQPXVFZWJC-GASCZTMLSA-N 1 0 418.498 -0.428 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[C@H](C)O1 ZINC000616309363 1072102765 /nfs/dbraw/zinc/10/27/65/1072102765.db2.gz SLJRTQPXVFZWJC-GJZGRUSLSA-N 1 0 418.498 -0.428 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[C@@H](C)O1 ZINC000616309364 1072102660 /nfs/dbraw/zinc/10/26/60/1072102660.db2.gz SLJRTQPXVFZWJC-HUUCEWRRSA-N 1 0 418.498 -0.428 20 0 HBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000616311111 1068230068 /nfs/dbraw/zinc/23/00/68/1068230068.db2.gz LPEBVXNTLJKGMS-UHFFFAOYSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000616327604 1068211277 /nfs/dbraw/zinc/21/12/77/1068211277.db2.gz XFVULFVXDGLPGU-CKEIUWERSA-N 1 0 406.483 -0.087 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000616327605 1068210979 /nfs/dbraw/zinc/21/09/79/1068210979.db2.gz XFVULFVXDGLPGU-CPUCHLNUSA-N 1 0 406.483 -0.087 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000616327606 1072103582 /nfs/dbraw/zinc/10/35/82/1072103582.db2.gz XFVULFVXDGLPGU-JKIFEVAISA-N 1 0 406.483 -0.087 20 0 HBADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000616327607 1072103461 /nfs/dbraw/zinc/10/34/61/1072103461.db2.gz XFVULFVXDGLPGU-VBQJREDUSA-N 1 0 406.483 -0.087 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c2ccccc2O1 ZINC000616334151 1072104177 /nfs/dbraw/zinc/10/41/77/1072104177.db2.gz IBUSPQHRHSBTDR-GOSISDBHSA-N 1 0 417.510 -0.331 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c2ccccc2O1 ZINC000616334155 1072104073 /nfs/dbraw/zinc/10/40/73/1072104073.db2.gz IBUSPQHRHSBTDR-SFHVURJKSA-N 1 0 417.510 -0.331 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@H]1C ZINC000616370173 1068217979 /nfs/dbraw/zinc/21/79/79/1068217979.db2.gz FNFCLJJKNARETG-CHWSQXEVSA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@H]1C ZINC000616370174 1072103899 /nfs/dbraw/zinc/10/38/99/1072103899.db2.gz FNFCLJJKNARETG-OLZOCXBDSA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@@H]1C ZINC000616370175 1072104741 /nfs/dbraw/zinc/10/47/41/1072104741.db2.gz FNFCLJJKNARETG-QWHCGFSZSA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@@H]1C ZINC000616370176 1072104700 /nfs/dbraw/zinc/10/47/00/1072104700.db2.gz FNFCLJJKNARETG-STQMWFEESA-N 1 0 416.482 -0.050 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCC[C@@H](C)C1 ZINC000616371714 1072104678 /nfs/dbraw/zinc/10/46/78/1072104678.db2.gz DZNDWILGFBJLMC-CHWSQXEVSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCC[C@@H](C)C1 ZINC000616371716 1072104864 /nfs/dbraw/zinc/10/48/64/1072104864.db2.gz DZNDWILGFBJLMC-OLZOCXBDSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCC[C@H](C)C1 ZINC000616371717 1072104759 /nfs/dbraw/zinc/10/47/59/1072104759.db2.gz DZNDWILGFBJLMC-QWHCGFSZSA-N 1 0 416.482 -0.193 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCC[C@H](C)C1 ZINC000616371718 1072104839 /nfs/dbraw/zinc/10/48/39/1072104839.db2.gz DZNDWILGFBJLMC-STQMWFEESA-N 1 0 416.482 -0.193 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)cnc2n(C)c1=O ZINC000616373267 1072104834 /nfs/dbraw/zinc/10/48/34/1072104834.db2.gz OQCFHBGIMQLONF-UHFFFAOYSA-N 1 0 402.455 -0.437 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000616373312 1072104790 /nfs/dbraw/zinc/10/47/90/1072104790.db2.gz UQCNSKDWVBUQIW-GFCCVEGCSA-N 1 0 402.455 -0.581 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000616373313 1072104874 /nfs/dbraw/zinc/10/48/74/1072104874.db2.gz UQCNSKDWVBUQIW-LBPRGKRZSA-N 1 0 402.455 -0.581 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000616374699 1068219478 /nfs/dbraw/zinc/21/94/78/1068219478.db2.gz OSURCURZWDUOGI-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000616375884 1068220913 /nfs/dbraw/zinc/22/09/13/1068220913.db2.gz INTOQLCMEWSWDZ-UHFFFAOYSA-N 1 0 405.499 -0.154 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616377422 1068221293 /nfs/dbraw/zinc/22/12/93/1068221293.db2.gz XZIYMBSGXLZWDS-GFCCVEGCSA-N 1 0 402.455 -0.439 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616377423 1072104883 /nfs/dbraw/zinc/10/48/83/1072104883.db2.gz XZIYMBSGXLZWDS-LBPRGKRZSA-N 1 0 402.455 -0.439 20 0 HBADRO NC(=O)Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000616384506 1072104850 /nfs/dbraw/zinc/10/48/50/1072104850.db2.gz LRXTVKXMUCEZQT-UHFFFAOYSA-N 1 0 413.482 -0.365 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)cnc2n(C)c1=O ZINC000616408621 1072104775 /nfs/dbraw/zinc/10/47/75/1072104775.db2.gz SZNWFYXGWUHYNS-UHFFFAOYSA-N 1 0 424.461 -0.051 20 0 HBADRO CN(CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000616414672 1072105225 /nfs/dbraw/zinc/10/52/25/1072105225.db2.gz QQAHTGITCMZFQS-UHFFFAOYSA-N 1 0 400.501 -0.037 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[NH+](C)C ZINC000616424931 1072105810 /nfs/dbraw/zinc/10/58/10/1072105810.db2.gz FDELOGBYXOFITB-GFCCVEGCSA-N 1 0 416.475 -0.149 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[NH+](C)C ZINC000616424935 1072105774 /nfs/dbraw/zinc/10/57/74/1072105774.db2.gz FDELOGBYXOFITB-LBPRGKRZSA-N 1 0 416.475 -0.149 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[NH+](C)C ZINC000616425075 1072105843 /nfs/dbraw/zinc/10/58/43/1072105843.db2.gz MVKVXETWEOEBQF-PBHICJAKSA-N 1 0 404.467 -0.294 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[NH+](C)C ZINC000616425077 1072105801 /nfs/dbraw/zinc/10/58/01/1072105801.db2.gz MVKVXETWEOEBQF-RHSMWYFYSA-N 1 0 404.467 -0.294 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[NH+](C)C ZINC000616425078 1072105877 /nfs/dbraw/zinc/10/58/77/1072105877.db2.gz MVKVXETWEOEBQF-WMLDXEAASA-N 1 0 404.467 -0.294 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[NH+](C)C ZINC000616425079 1072105765 /nfs/dbraw/zinc/10/57/65/1072105765.db2.gz MVKVXETWEOEBQF-YOEHRIQHSA-N 1 0 404.467 -0.294 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cnc2n(C)c1=O ZINC000616436044 1072105862 /nfs/dbraw/zinc/10/58/62/1072105862.db2.gz GXZNZCWBXWKKSI-KBPBESRZSA-N 1 0 400.439 -0.686 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cnc2n(C)c1=O ZINC000616436045 1072105747 /nfs/dbraw/zinc/10/57/47/1072105747.db2.gz GXZNZCWBXWKKSI-KGLIPLIRSA-N 1 0 400.439 -0.686 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cnc2n(C)c1=O ZINC000616436046 1072105796 /nfs/dbraw/zinc/10/57/96/1072105796.db2.gz GXZNZCWBXWKKSI-UONOGXRCSA-N 1 0 400.439 -0.686 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cnc2n(C)c1=O ZINC000616436047 1072105889 /nfs/dbraw/zinc/10/58/89/1072105889.db2.gz GXZNZCWBXWKKSI-ZIAGYGMSSA-N 1 0 400.439 -0.686 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000616468891 1072107333 /nfs/dbraw/zinc/10/73/33/1072107333.db2.gz WMRFOBSISBYWOK-UHFFFAOYSA-N 1 0 415.494 -0.020 20 0 HBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000616474478 1072106346 /nfs/dbraw/zinc/10/63/46/1072106346.db2.gz RJSMXYPHEUIEOS-UHFFFAOYSA-N 1 0 401.467 -0.364 20 0 HBADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000616831814 1072110977 /nfs/dbraw/zinc/11/09/77/1072110977.db2.gz CHIUHUTVEQDSDU-UHFFFAOYSA-N 1 0 403.483 -0.271 20 0 HBADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000616833266 1072111059 /nfs/dbraw/zinc/11/10/59/1072111059.db2.gz CSDJKBBYXCTMOT-UHFFFAOYSA-N 1 0 403.483 -0.271 20 0 HBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000616834119 1072110962 /nfs/dbraw/zinc/11/09/62/1072110962.db2.gz ZOALNWRCUKKWKB-UHFFFAOYSA-N 1 0 409.512 -0.336 20 0 HBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000616884422 1072112428 /nfs/dbraw/zinc/11/24/28/1072112428.db2.gz LVRANMHUQITBNR-UHFFFAOYSA-N 1 0 417.510 -0.012 20 0 HBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000616884508 1072112369 /nfs/dbraw/zinc/11/23/69/1072112369.db2.gz SEPSDJHDAHMYCY-UHFFFAOYSA-N 1 0 417.510 -0.012 20 0 HBADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)cnc2n(C)c1=O ZINC000616888586 1072113412 /nfs/dbraw/zinc/11/34/12/1072113412.db2.gz LILJULHZDFQMLH-UHFFFAOYSA-N 1 0 423.433 -0.686 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000616888873 1072113317 /nfs/dbraw/zinc/11/33/17/1072113317.db2.gz RJIPHPKLCTXSST-UHFFFAOYSA-N 1 0 410.434 -0.416 20 0 HBADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000616888888 1072113458 /nfs/dbraw/zinc/11/34/58/1072113458.db2.gz SDHHHLSVTZSQHO-UHFFFAOYSA-N 1 0 409.450 -0.300 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c(=O)n2C ZINC000617123575 1072117954 /nfs/dbraw/zinc/11/79/54/1072117954.db2.gz CGJGFPTZEOMZDB-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c(=O)n2C ZINC000617123576 1072117989 /nfs/dbraw/zinc/11/79/89/1072117989.db2.gz CGJGFPTZEOMZDB-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1c2ncn(CC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617123627 1072117932 /nfs/dbraw/zinc/11/79/32/1072117932.db2.gz GMIUVMBSKHMJFS-AWEZNQCLSA-N 1 0 402.430 -0.008 20 0 HBADRO Cn1c2ncn(CC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617123628 1072117906 /nfs/dbraw/zinc/11/79/06/1072117906.db2.gz GMIUVMBSKHMJFS-CQSZACIVSA-N 1 0 402.430 -0.008 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000617547223 1072122260 /nfs/dbraw/zinc/12/22/60/1072122260.db2.gz GTERKIJDOJRIES-INIZCTEOSA-N 1 0 404.581 -0.371 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000617547228 1072122223 /nfs/dbraw/zinc/12/22/23/1072122223.db2.gz GTERKIJDOJRIES-MRXNPFEDSA-N 1 0 404.581 -0.371 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000617738261 1072125365 /nfs/dbraw/zinc/12/53/65/1072125365.db2.gz KJMBOUPHLZQNHA-INIZCTEOSA-N 1 0 401.467 -0.073 20 0 HBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000617738262 1072125412 /nfs/dbraw/zinc/12/54/12/1072125412.db2.gz KJMBOUPHLZQNHA-MRXNPFEDSA-N 1 0 401.467 -0.073 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000617885849 1068232698 /nfs/dbraw/zinc/23/26/98/1068232698.db2.gz NXOXLYPNWYVZSB-HNNXBMFYSA-N 1 0 410.496 -0.144 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000617885852 1068233020 /nfs/dbraw/zinc/23/30/20/1068233020.db2.gz NXOXLYPNWYVZSB-OAHLLOKOSA-N 1 0 410.496 -0.144 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886129 1068253364 /nfs/dbraw/zinc/25/33/64/1068253364.db2.gz TUSXEPLHSPPTOD-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886130 1072127315 /nfs/dbraw/zinc/12/73/15/1072127315.db2.gz TUSXEPLHSPPTOD-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000617886135 1072127366 /nfs/dbraw/zinc/12/73/66/1072127366.db2.gz UFUJUIVNDYBQGN-HNNXBMFYSA-N 1 0 410.496 -0.144 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000617886136 1072127397 /nfs/dbraw/zinc/12/73/97/1072127397.db2.gz UFUJUIVNDYBQGN-OAHLLOKOSA-N 1 0 410.496 -0.144 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000617887926 1072127414 /nfs/dbraw/zinc/12/74/14/1072127414.db2.gz SRVBKURFKIFUQR-CRAIPNDOSA-N 1 0 416.478 -0.150 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000617887927 1072127341 /nfs/dbraw/zinc/12/73/41/1072127341.db2.gz SRVBKURFKIFUQR-MAUKXSAKSA-N 1 0 416.478 -0.150 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000617887928 1072127848 /nfs/dbraw/zinc/12/78/48/1072127848.db2.gz SRVBKURFKIFUQR-QAPCUYQASA-N 1 0 416.478 -0.150 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000617887929 1068348133 /nfs/dbraw/zinc/34/81/33/1068348133.db2.gz SRVBKURFKIFUQR-YJBOKZPZSA-N 1 0 416.478 -0.150 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C[NH+]1CCN(C)CC1 ZINC000618399400 1072130550 /nfs/dbraw/zinc/13/05/50/1072130550.db2.gz BGFCLYASMSPLBI-HNNXBMFYSA-N 1 0 414.528 -0.086 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C[NH+]1CCN(C)CC1 ZINC000618399402 1072130602 /nfs/dbraw/zinc/13/06/02/1072130602.db2.gz BGFCLYASMSPLBI-OAHLLOKOSA-N 1 0 414.528 -0.086 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000618561139 1072131182 /nfs/dbraw/zinc/13/11/82/1072131182.db2.gz PBVFBQWPKJTNNY-OAGGEKHMSA-N 1 0 403.549 -0.238 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000618561140 1072131151 /nfs/dbraw/zinc/13/11/51/1072131151.db2.gz PBVFBQWPKJTNNY-XHSDSOJGSA-N 1 0 403.549 -0.238 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000618815162 1072133212 /nfs/dbraw/zinc/13/32/12/1072133212.db2.gz YBJGVFGSCQCYJZ-HRCADAONSA-N 1 0 413.519 -0.852 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000618815163 1072133289 /nfs/dbraw/zinc/13/32/89/1072133289.db2.gz YBJGVFGSCQCYJZ-JYJNAYRXSA-N 1 0 413.519 -0.852 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000618815166 1072133253 /nfs/dbraw/zinc/13/32/53/1072133253.db2.gz YBJGVFGSCQCYJZ-OWCLPIDISA-N 1 0 413.519 -0.852 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000618815167 1072133347 /nfs/dbraw/zinc/13/33/47/1072133347.db2.gz YBJGVFGSCQCYJZ-PMPSAXMXSA-N 1 0 413.519 -0.852 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000618873146 1072134931 /nfs/dbraw/zinc/13/49/31/1072134931.db2.gz WNRNHKQQQIPKPG-NEPJUHHUSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000618873147 1072134859 /nfs/dbraw/zinc/13/48/59/1072134859.db2.gz WNRNHKQQQIPKPG-NWDGAFQWSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000618873148 1072134886 /nfs/dbraw/zinc/13/48/86/1072134886.db2.gz WNRNHKQQQIPKPG-RYUDHWBXSA-N 1 0 402.411 -0.222 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000618873149 1072134848 /nfs/dbraw/zinc/13/48/48/1072134848.db2.gz WNRNHKQQQIPKPG-VXGBXAGGSA-N 1 0 402.411 -0.222 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000619519155 1072141111 /nfs/dbraw/zinc/14/11/11/1072141111.db2.gz BDGOMTHZXITQDY-HNNXBMFYSA-N 1 0 406.487 -0.459 20 0 HBADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000619519156 1072141149 /nfs/dbraw/zinc/14/11/49/1072141149.db2.gz BDGOMTHZXITQDY-OAHLLOKOSA-N 1 0 406.487 -0.459 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000619596466 1072141601 /nfs/dbraw/zinc/14/16/01/1072141601.db2.gz JVHHLYMEBQMIBR-UHFFFAOYSA-N 1 0 411.484 -0.058 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1OCCO2 ZINC000619596490 1072141668 /nfs/dbraw/zinc/14/16/68/1072141668.db2.gz ZPXSRFTURSUPLV-UHFFFAOYSA-N 1 0 413.496 -0.131 20 0 HBADRO CNC(=O)c1ccc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cc1 ZINC000619596497 1072141687 /nfs/dbraw/zinc/14/16/87/1072141687.db2.gz DDXAYCLYRQJXQI-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO CCc1nn(C)c(CC)c1S(=O)(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000619596547 1072141552 /nfs/dbraw/zinc/14/15/52/1072141552.db2.gz XSEJRVFENYXDPA-UHFFFAOYSA-N 1 0 415.560 -0.044 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000619608244 1072142702 /nfs/dbraw/zinc/14/27/02/1072142702.db2.gz AINDCCKBEQHUQS-KRWDZBQOSA-N 1 0 417.510 -0.321 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000619608245 1072142577 /nfs/dbraw/zinc/14/25/77/1072142577.db2.gz AINDCCKBEQHUQS-QGZVFWFLSA-N 1 0 417.510 -0.321 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000619608276 1072142675 /nfs/dbraw/zinc/14/26/75/1072142675.db2.gz ZIFXWSIDWRNREA-UHFFFAOYSA-N 1 0 415.494 -0.011 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000619608311 1072142644 /nfs/dbraw/zinc/14/26/44/1072142644.db2.gz KJXIWAXYRUIBGI-UHFFFAOYSA-N 1 0 401.471 -0.167 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000619617960 1072142211 /nfs/dbraw/zinc/14/22/11/1072142211.db2.gz AVQURLHVSQNPAB-UHFFFAOYSA-N 1 0 417.466 -0.248 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000619617969 1072142135 /nfs/dbraw/zinc/14/21/35/1072142135.db2.gz HOSXCLCGWXFGAC-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000619617972 1072142273 /nfs/dbraw/zinc/14/22/73/1072142273.db2.gz IJRUIZSYKLRPPJ-UHFFFAOYSA-N 1 0 415.516 -0.872 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000619617983 1072142199 /nfs/dbraw/zinc/14/21/99/1072142199.db2.gz PLGWTIMYZQUHIP-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000619617985 1072142250 /nfs/dbraw/zinc/14/22/50/1072142250.db2.gz QUBXNUCTALENCF-UHFFFAOYSA-N 1 0 412.512 -0.495 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000619793226 1072146217 /nfs/dbraw/zinc/14/62/17/1072146217.db2.gz AHPCQYLSXQTABO-UHFFFAOYSA-N 1 0 411.528 -0.572 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[NH+](C)C ZINC000619796039 1072145773 /nfs/dbraw/zinc/14/57/73/1072145773.db2.gz SHLWSGOMUNEIET-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[NH+](C)C ZINC000619796040 1072145797 /nfs/dbraw/zinc/14/57/97/1072145797.db2.gz SHLWSGOMUNEIET-CQSZACIVSA-N 1 0 411.528 -0.373 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000619819078 1072146700 /nfs/dbraw/zinc/14/67/00/1072146700.db2.gz OWJJOYFCOOPWJT-INIZCTEOSA-N 1 0 423.539 -0.228 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000619819083 1072146641 /nfs/dbraw/zinc/14/66/41/1072146641.db2.gz OWJJOYFCOOPWJT-MRXNPFEDSA-N 1 0 423.539 -0.228 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000620184332 1072155644 /nfs/dbraw/zinc/15/56/44/1072155644.db2.gz FXZZQNDZJLBCCS-UHFFFAOYSA-N 1 0 401.467 -0.016 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000620184424 1072155718 /nfs/dbraw/zinc/15/57/18/1072155718.db2.gz PCGLGTNXDLRBJV-UHFFFAOYSA-N 1 0 400.476 -0.274 20 0 HBADRO COc1c(F)cc(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1S(N)(=O)=O ZINC000620184425 1072155562 /nfs/dbraw/zinc/15/55/62/1072155562.db2.gz QRVOPGYKBXXHHI-UHFFFAOYSA-N 1 0 416.475 -0.743 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620184452 1072155576 /nfs/dbraw/zinc/15/55/76/1072155576.db2.gz SUSFKLDOLXPCJI-KRWDZBQOSA-N 1 0 400.483 -0.020 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620184454 1072155692 /nfs/dbraw/zinc/15/56/92/1072155692.db2.gz SUSFKLDOLXPCJI-QGZVFWFLSA-N 1 0 400.483 -0.020 20 0 HBADRO COCC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000620276999 1072155983 /nfs/dbraw/zinc/15/59/83/1072155983.db2.gz ORCVFFPFGNZQEM-UHFFFAOYSA-N 1 0 414.528 -0.113 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[NH+](C)C ZINC000620401190 1072157171 /nfs/dbraw/zinc/15/71/71/1072157171.db2.gz ILTRMGFDHMEIOQ-HNNXBMFYSA-N 1 0 405.499 -0.247 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[NH+](C)C ZINC000620401191 1072157259 /nfs/dbraw/zinc/15/72/59/1072157259.db2.gz ILTRMGFDHMEIOQ-OAHLLOKOSA-N 1 0 405.499 -0.247 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000620601551 1072162672 /nfs/dbraw/zinc/16/26/72/1072162672.db2.gz RLZCRCXJQIOKCW-UHFFFAOYSA-N 1 0 411.547 -0.288 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000620636033 1072163411 /nfs/dbraw/zinc/16/34/11/1072163411.db2.gz GITUALSNABHUMC-UHFFFAOYSA-N 1 0 423.583 -0.259 20 0 HBADRO COc1cc(C[NH2+]CC(=O)N2CCN(C)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000620758086 1072165560 /nfs/dbraw/zinc/16/55/60/1072165560.db2.gz NAULRWVKJIBPTH-UHFFFAOYSA-N 1 0 420.510 -0.204 20 0 HBADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000620845496 1072166889 /nfs/dbraw/zinc/16/68/89/1072166889.db2.gz UAUCMFPZCWKUNC-GFCCVEGCSA-N 1 0 402.455 -0.583 20 0 HBADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000620845497 1072166735 /nfs/dbraw/zinc/16/67/35/1072166735.db2.gz UAUCMFPZCWKUNC-LBPRGKRZSA-N 1 0 402.455 -0.583 20 0 HBADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000621017037 1072170420 /nfs/dbraw/zinc/17/04/20/1072170420.db2.gz NLMNIHGVVQABNT-KRWDZBQOSA-N 1 0 405.499 -0.559 20 0 HBADRO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000621017038 1072170263 /nfs/dbraw/zinc/17/02/63/1072170263.db2.gz NLMNIHGVVQABNT-QGZVFWFLSA-N 1 0 405.499 -0.559 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(OC)n1 ZINC000621023555 1072170251 /nfs/dbraw/zinc/17/02/51/1072170251.db2.gz OTSJLCHMKWLUAH-UHFFFAOYSA-N 1 0 407.471 -0.046 20 0 HBADRO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC[NH3+] ZINC000621468013 1072174163 /nfs/dbraw/zinc/17/41/63/1072174163.db2.gz CVEDIXKEEDKMIO-INIZCTEOSA-N 1 0 412.512 -0.463 20 0 HBADRO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC[NH3+] ZINC000621468017 1072174248 /nfs/dbraw/zinc/17/42/48/1072174248.db2.gz CVEDIXKEEDKMIO-MRXNPFEDSA-N 1 0 412.512 -0.463 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000621474154 1072174174 /nfs/dbraw/zinc/17/41/74/1072174174.db2.gz GYUDEKDDFRLTCO-AWEZNQCLSA-N 1 0 411.528 -0.277 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000621474155 1072174302 /nfs/dbraw/zinc/17/43/02/1072174302.db2.gz GYUDEKDDFRLTCO-CQSZACIVSA-N 1 0 411.528 -0.277 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000621636565 1072176325 /nfs/dbraw/zinc/17/63/25/1072176325.db2.gz IHGJNIYNGDUXEL-KRWDZBQOSA-N 1 0 416.526 -0.047 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000621636566 1072176273 /nfs/dbraw/zinc/17/62/73/1072176273.db2.gz IHGJNIYNGDUXEL-QGZVFWFLSA-N 1 0 416.526 -0.047 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000621701875 1072176917 /nfs/dbraw/zinc/17/69/17/1072176917.db2.gz CQQOLUYUDGNVIR-UHFFFAOYSA-N 1 0 409.556 -0.079 20 0 HBADRO CN1CC[C@@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)S1(=O)=O ZINC000622328235 1072185176 /nfs/dbraw/zinc/18/51/76/1072185176.db2.gz OEWNAKUYRNGMMD-HNNXBMFYSA-N 1 0 402.561 -0.037 20 0 HBADRO CN1CC[C@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)S1(=O)=O ZINC000622328236 1072185120 /nfs/dbraw/zinc/18/51/20/1072185120.db2.gz OEWNAKUYRNGMMD-OAHLLOKOSA-N 1 0 402.561 -0.037 20 0 HBADRO CN1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)S1(=O)=O ZINC000622370127 1072185817 /nfs/dbraw/zinc/18/58/17/1072185817.db2.gz OTDOMCPCBXFYQP-INIZCTEOSA-N 1 0 400.545 -0.139 20 0 HBADRO CN1CC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)S1(=O)=O ZINC000622370128 1072185771 /nfs/dbraw/zinc/18/57/71/1072185771.db2.gz OTDOMCPCBXFYQP-MRXNPFEDSA-N 1 0 400.545 -0.139 20 0 HBADRO COc1cc(C[NH2+]CCNS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000622854954 1072190932 /nfs/dbraw/zinc/19/09/32/1072190932.db2.gz OWWTVLPWCQDMOH-UHFFFAOYSA-N 1 0 401.485 -0.428 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000622903400 1072194419 /nfs/dbraw/zinc/19/44/19/1072194419.db2.gz KYFCBQBIEJSJMV-GOSISDBHSA-N 1 0 421.586 -0.158 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000622903401 1072194545 /nfs/dbraw/zinc/19/45/45/1072194545.db2.gz KYFCBQBIEJSJMV-SFHVURJKSA-N 1 0 421.586 -0.158 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 ZINC000623175855 1069547164 /nfs/dbraw/zinc/54/71/64/1069547164.db2.gz DSRJAFACNVKBSD-UHFFFAOYSA-N 1 0 420.495 -0.183 20 0 HBADRO CCC[NH+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000623688795 1072214171 /nfs/dbraw/zinc/21/41/71/1072214171.db2.gz RQXDLNHRIQNSMD-UHFFFAOYSA-N 1 0 409.531 -0.179 20 0 HBADRO CC(C)[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000623769493 1068972307 /nfs/dbraw/zinc/97/23/07/1068972307.db2.gz AFSSFDIRSMLGAY-KRWDZBQOSA-N 1 0 418.608 -0.865 20 0 HBADRO CC(C)[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000623769494 1068972230 /nfs/dbraw/zinc/97/22/30/1068972230.db2.gz AFSSFDIRSMLGAY-QGZVFWFLSA-N 1 0 418.608 -0.865 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623769756 1068972158 /nfs/dbraw/zinc/97/21/58/1068972158.db2.gz KWKYEALLTJMMAL-UHFFFAOYSA-N 1 0 418.608 -0.720 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000623769870 1068972620 /nfs/dbraw/zinc/97/26/20/1068972620.db2.gz QOOVGARJWNGGBI-HOTGVXAUSA-N 1 0 405.565 -0.638 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000623769871 1068972857 /nfs/dbraw/zinc/97/28/57/1068972857.db2.gz QOOVGARJWNGGBI-HZPDHXFCSA-N 1 0 405.565 -0.638 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000623769872 1068972945 /nfs/dbraw/zinc/97/29/45/1068972945.db2.gz QOOVGARJWNGGBI-IYBDPMFKSA-N 1 0 405.565 -0.638 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000623769985 1068972922 /nfs/dbraw/zinc/97/29/22/1068972922.db2.gz WJFVJJBRRAWUDC-UHFFFAOYSA-N 1 0 417.576 -0.683 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)c(=O)n2C ZINC000624742169 1069165443 /nfs/dbraw/zinc/16/54/43/1069165443.db2.gz BFUQPKPTKWULNO-AWEZNQCLSA-N 1 0 404.471 -0.853 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC[N@H+](C[C@H]3CCCO3)CC1)c(=O)n2C ZINC000624742170 1069165362 /nfs/dbraw/zinc/16/53/62/1069165362.db2.gz BFUQPKPTKWULNO-CQSZACIVSA-N 1 0 404.471 -0.853 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)c(=O)n2C ZINC000624836444 1069192186 /nfs/dbraw/zinc/19/21/86/1069192186.db2.gz WWXLUBRIFIQSEO-UHFFFAOYSA-N 1 0 418.498 -0.415 20 0 HBADRO Cn1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000625183280 1069389715 /nfs/dbraw/zinc/38/97/15/1069389715.db2.gz MGXZVCDUHCEZFQ-AWEZNQCLSA-N 1 0 403.483 -0.097 20 0 HBADRO Cn1c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000625183281 1069389375 /nfs/dbraw/zinc/38/93/75/1069389375.db2.gz MGXZVCDUHCEZFQ-CQSZACIVSA-N 1 0 403.483 -0.097 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cnc2n(C)c1=O ZINC000625188499 1068275562 /nfs/dbraw/zinc/27/55/62/1068275562.db2.gz IMPNKDHKOHMJFD-HNNXBMFYSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cnc2n(C)c1=O ZINC000625188503 1069389592 /nfs/dbraw/zinc/38/95/92/1069389592.db2.gz IMPNKDHKOHMJFD-OAHLLOKOSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000625189548 1069390371 /nfs/dbraw/zinc/39/03/71/1069390371.db2.gz MNWPSLZWKQAMCM-AWEZNQCLSA-N 1 0 404.471 -0.853 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000625189549 1069390192 /nfs/dbraw/zinc/39/01/92/1069390192.db2.gz MNWPSLZWKQAMCM-CQSZACIVSA-N 1 0 404.471 -0.853 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)nc2n(C)c1=O ZINC000625189651 1069390513 /nfs/dbraw/zinc/39/05/13/1069390513.db2.gz OCUYPIQTIYSBGM-AWEZNQCLSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)nc2n(C)c1=O ZINC000625189652 1069390427 /nfs/dbraw/zinc/39/04/27/1069390427.db2.gz OCUYPIQTIYSBGM-CQSZACIVSA-N 1 0 401.467 -0.041 20 0 HBADRO CCC(CC)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCOCC1 ZINC000640539050 1070313271 /nfs/dbraw/zinc/31/32/71/1070313271.db2.gz WBLWVZREVNCUPS-OAHLLOKOSA-N 1 0 420.514 -0.313 20 0 HBADRO COCCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000642093913 1071011467 /nfs/dbraw/zinc/01/14/67/1071011467.db2.gz YROILWMPXNARFR-UHFFFAOYSA-N 1 0 404.515 -0.010 20 0 HBADRO COc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1S(=O)(=O)N(C)C ZINC000642219250 1071255614 /nfs/dbraw/zinc/25/56/14/1071255614.db2.gz RIAYDIPQOOLDSX-UHFFFAOYSA-N 1 0 412.512 -0.209 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000642353000 1071727112 /nfs/dbraw/zinc/72/71/12/1071727112.db2.gz GEPMFVNTLJQVCR-UHFFFAOYSA-N 1 0 413.544 -0.587 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[NH+](C)C ZINC000643071469 1069031194 /nfs/dbraw/zinc/03/11/94/1069031194.db2.gz RBKRQGVKPVGIEE-AWEZNQCLSA-N 1 0 411.528 -0.373 20 0 HBADRO CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644162346 1068996044 /nfs/dbraw/zinc/99/60/44/1068996044.db2.gz XDOVZGMKRJGUSE-JKSUJKDBSA-N 1 0 403.549 -0.932 20 0 HBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)c1 ZINC000644714601 1069052513 /nfs/dbraw/zinc/05/25/13/1069052513.db2.gz ZLIMMCFVMOIFBB-BWTSREIZSA-N 1 0 421.519 -0.108 20 0 HBADRO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000644714965 1069052483 /nfs/dbraw/zinc/05/24/83/1069052483.db2.gz DBRKRWNBKHGREO-PIIMJCKOSA-N 1 0 409.508 -0.506 20 0 HBADRO COCCN(C(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000644730390 1069058375 /nfs/dbraw/zinc/05/83/75/1069058375.db2.gz VKOKDMFPBPWSOY-HUUCEWRRSA-N 1 0 422.530 -0.198 20 0 HBADRO COCCN(C(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000644730398 1069058418 /nfs/dbraw/zinc/05/84/18/1069058418.db2.gz VKOKDMFPBPWSOY-LSDHHAIUSA-N 1 0 422.530 -0.198 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(=O)[nH]c1=O ZINC000644731402 1069058351 /nfs/dbraw/zinc/05/83/51/1069058351.db2.gz BCDWFWOVNJGQMQ-CABCVRRESA-N 1 0 422.530 -0.054 20 0 HBADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O ZINC000644899105 1068233787 /nfs/dbraw/zinc/23/37/87/1068233787.db2.gz YMJSAXPOWAMWOO-FOIQADDNSA-N 1 0 422.530 -0.002 20 0 HBADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O ZINC000644899106 1068233694 /nfs/dbraw/zinc/23/36/94/1068233694.db2.gz YMJSAXPOWAMWOO-MGPUTAFESA-N 1 0 422.530 -0.002 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cn2)C[C@@H](C)O1 ZINC000645615293 1069164149 /nfs/dbraw/zinc/16/41/49/1069164149.db2.gz NQOXIZLDKDNUDE-ANQUJSFKSA-N 1 0 418.498 -0.380 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cn2)C[C@H](C)O1 ZINC000645615294 1069164925 /nfs/dbraw/zinc/16/49/25/1069164925.db2.gz NQOXIZLDKDNUDE-DLTWYDFYSA-N 1 0 418.498 -0.380 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cn2)C[C@H](C)O1 ZINC000645615295 1069164718 /nfs/dbraw/zinc/16/47/18/1069164718.db2.gz NQOXIZLDKDNUDE-JYYAWHABSA-N 1 0 418.498 -0.380 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cn2)C[C@@H](C)O1 ZINC000645615296 1069164892 /nfs/dbraw/zinc/16/48/92/1069164892.db2.gz NQOXIZLDKDNUDE-KCYZZUKISA-N 1 0 418.498 -0.380 20 0 HBADRO CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000645770620 1069952858 /nfs/dbraw/zinc/95/28/58/1069952858.db2.gz WWLWHEIJLUIFRX-UHFFFAOYSA-N 1 0 414.447 -0.066 20 0 HBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000646210675 1070939032 /nfs/dbraw/zinc/93/90/32/1070939032.db2.gz CZLZMSKDXMMNCH-OAHLLOKOSA-N 1 0 414.528 -0.514 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1 ZINC000646221829 1070946931 /nfs/dbraw/zinc/94/69/31/1070946931.db2.gz MNSAGXAPYBCGSC-MRXNPFEDSA-N 1 0 412.512 -0.162 20 0 HBADRO CC(C)C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646414581 1071201812 /nfs/dbraw/zinc/20/18/12/1071201812.db2.gz HUIKHFYZEOSFBU-IKGGRYGDSA-N 1 0 416.588 -0.201 20 0 HBADRO NS(=O)(=O)N1CCC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000646671822 1071550170 /nfs/dbraw/zinc/55/01/70/1071550170.db2.gz YZLRFVWHJUMQEE-SFHVURJKSA-N 1 0 409.556 -0.164 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000646928293 1068328808 /nfs/dbraw/zinc/32/88/08/1068328808.db2.gz XGJKMGMOFXZVHN-KJWYOANISA-N 1 0 409.508 -0.018 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646928294 1068328952 /nfs/dbraw/zinc/32/89/52/1068328952.db2.gz XGJKMGMOFXZVHN-KNCCTNLNSA-N 1 0 409.508 -0.018 20 0 HBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)s1 ZINC000646937142 1068328634 /nfs/dbraw/zinc/32/86/34/1068328634.db2.gz GKAZVEJSYUGCHT-OCCSQVGLSA-N 1 0 400.526 -0.175 20 0 HBADRO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647413814 1068928319 /nfs/dbraw/zinc/92/83/19/1068928319.db2.gz RUFODDRBYCYHGD-MSOLQXFVSA-N 1 0 404.511 -0.072 20 0 HBADRO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647413815 1068928400 /nfs/dbraw/zinc/92/84/00/1068928400.db2.gz RUFODDRBYCYHGD-QZTJIDSGSA-N 1 0 404.511 -0.072 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647414258 1068929134 /nfs/dbraw/zinc/92/91/34/1068929134.db2.gz VNCGQWGCZYCLGA-MOPGFXCFSA-N 1 0 402.495 -0.351 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647414259 1068928960 /nfs/dbraw/zinc/92/89/60/1068928960.db2.gz VNCGQWGCZYCLGA-RTBURBONSA-N 1 0 402.495 -0.351 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)[C@@H](C)O)cc1 ZINC000647625055 1069016419 /nfs/dbraw/zinc/01/64/19/1069016419.db2.gz VFPZOCRAQPILDK-AYBZRNKSSA-N 1 0 413.540 -0.062 20 0 HBADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647666682 1069026088 /nfs/dbraw/zinc/02/60/88/1069026088.db2.gz VQZSTELKNIMHAX-OALUTQOASA-N 1 0 408.543 -0.120 20 0 HBADRO Cn1nncc1C(=O)NC[C@@]1(NC(=O)c2cnnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000647674829 1069055759 /nfs/dbraw/zinc/05/57/59/1069055759.db2.gz DNSXUPRQANZKBL-FQEVSTJZSA-N 1 0 423.481 -0.252 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)O)cc1 ZINC000647677824 1069064298 /nfs/dbraw/zinc/06/42/98/1069064298.db2.gz AYAPVYPFXSXRHV-RYRKJORJSA-N 1 0 410.540 -0.471 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)[C@@H](C)O)cc1 ZINC000647706799 1069208057 /nfs/dbraw/zinc/20/80/57/1069208057.db2.gz QURFWPZSQDUPNK-HPFXQQBRSA-N 1 0 411.524 -0.310 20 0 HBADRO C[NH+](C)C[C@@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000647710207 1069211985 /nfs/dbraw/zinc/21/19/85/1069211985.db2.gz SZVWOLORARIEGD-AWEZNQCLSA-N 1 0 415.512 -0.055 20 0 HBADRO C[NH+](C)C[C@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000647710208 1069211917 /nfs/dbraw/zinc/21/19/17/1069211917.db2.gz SZVWOLORARIEGD-CQSZACIVSA-N 1 0 415.512 -0.055 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CC(=O)NC1=O ZINC000647712569 1069216258 /nfs/dbraw/zinc/21/62/58/1069216258.db2.gz QEEAMQLFZSWSAJ-UHFFFAOYSA-N 1 0 401.423 -0.775 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)c1cn(CC(N)=O)nn1 ZINC000647712691 1069216741 /nfs/dbraw/zinc/21/67/41/1069216741.db2.gz YOHRZDPZUHEXJT-UHFFFAOYSA-N 1 0 413.438 -0.937 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1=O ZINC000647721309 1069233921 /nfs/dbraw/zinc/23/39/21/1069233921.db2.gz XSCMPCVTCJTBOU-GFCCVEGCSA-N 1 0 402.473 -0.856 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1=O ZINC000647721310 1069233877 /nfs/dbraw/zinc/23/38/77/1069233877.db2.gz XSCMPCVTCJTBOU-LBPRGKRZSA-N 1 0 402.473 -0.856 20 0 HBADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000647764073 1069300793 /nfs/dbraw/zinc/30/07/93/1069300793.db2.gz QEFSODIKNATXEY-ZWKOTPCHSA-N 1 0 408.543 -0.121 20 0 HBADRO CC(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000647818139 1069524792 /nfs/dbraw/zinc/52/47/92/1069524792.db2.gz ZJEXAWQXFLGEOB-HIFRSBDPSA-N 1 0 413.544 -0.021 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000647886265 1069543672 /nfs/dbraw/zinc/54/36/72/1069543672.db2.gz JTTUPEDGXHIQTA-DCGLDWPTSA-N 1 0 412.468 -0.955 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000647886266 1069543819 /nfs/dbraw/zinc/54/38/19/1069543819.db2.gz JTTUPEDGXHIQTA-GDZNZVCISA-N 1 0 412.468 -0.955 20 0 HBADRO CCCCN(C(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647940850 1069944873 /nfs/dbraw/zinc/94/48/73/1069944873.db2.gz SFNYBTSNMVIEPH-GJZGRUSLSA-N 1 0 424.546 -0.073 20 0 HBADRO COCC1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000647952237 1070389999 /nfs/dbraw/zinc/38/99/99/1070389999.db2.gz SLIOYGWUANZINT-CVEARBPZSA-N 1 0 404.529 -0.034 20 0 HBADRO COCC1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000647952238 1070390198 /nfs/dbraw/zinc/39/01/98/1070390198.db2.gz SLIOYGWUANZINT-HOTGVXAUSA-N 1 0 404.529 -0.034 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCCn1cncn1 ZINC000669601595 1070965992 /nfs/dbraw/zinc/96/59/92/1070965992.db2.gz FGIFEVCQXQXYKP-UHFFFAOYSA-N 1 0 401.514 -0.018 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000669628391 1069194571 /nfs/dbraw/zinc/19/45/71/1069194571.db2.gz WDSOIRVETACZLO-HNNXBMFYSA-N 1 0 416.569 -0.005 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669628392 1070973421 /nfs/dbraw/zinc/97/34/21/1070973421.db2.gz WDSOIRVETACZLO-OAHLLOKOSA-N 1 0 416.569 -0.005 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000669639019 1070977563 /nfs/dbraw/zinc/97/75/63/1070977563.db2.gz UHWNHNCCOJUKSJ-UHFFFAOYSA-N 1 0 411.528 -0.325 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000669646162 1070980351 /nfs/dbraw/zinc/98/03/51/1070980351.db2.gz XCBHIOUWUUPNMH-KRWDZBQOSA-N 1 0 417.576 -0.683 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(CS(N)(=O)=O)c2)C1 ZINC000669646648 1070980300 /nfs/dbraw/zinc/98/03/00/1070980300.db2.gz KMFVBGRKTSMQJU-INIZCTEOSA-N 1 0 411.528 -0.138 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(CS(N)(=O)=O)c2)C1 ZINC000669646649 1070980257 /nfs/dbraw/zinc/98/02/57/1070980257.db2.gz KMFVBGRKTSMQJU-MRXNPFEDSA-N 1 0 411.528 -0.138 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669654516 1070983311 /nfs/dbraw/zinc/98/33/11/1070983311.db2.gz GTLHRFZJWPPYFO-BBWFWOEESA-N 1 0 417.576 -0.590 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669654517 1070983120 /nfs/dbraw/zinc/98/31/20/1070983120.db2.gz GTLHRFZJWPPYFO-GVDBMIGSSA-N 1 0 417.576 -0.590 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669654518 1070983224 /nfs/dbraw/zinc/98/32/24/1070983224.db2.gz GTLHRFZJWPPYFO-ULQDDVLXSA-N 1 0 417.576 -0.590 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669654519 1070983068 /nfs/dbraw/zinc/98/30/68/1070983068.db2.gz GTLHRFZJWPPYFO-YESZJQIVSA-N 1 0 417.576 -0.590 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000669730934 1071084223 /nfs/dbraw/zinc/08/42/23/1071084223.db2.gz ACHAEMDXUVILLB-UHFFFAOYSA-N 1 0 424.461 -0.155 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000669738501 1071112144 /nfs/dbraw/zinc/11/21/44/1071112144.db2.gz JLRFZVNNLRXLHF-INIZCTEOSA-N 1 0 401.467 -0.299 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000669738502 1071112018 /nfs/dbraw/zinc/11/20/18/1071112018.db2.gz JLRFZVNNLRXLHF-MRXNPFEDSA-N 1 0 401.467 -0.299 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000669752213 1071152554 /nfs/dbraw/zinc/15/25/54/1071152554.db2.gz OJXOIUOXOYHVII-GXTWGEPZSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000669752214 1071152576 /nfs/dbraw/zinc/15/25/76/1071152576.db2.gz OJXOIUOXOYHVII-JSGCOSHPSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000669752215 1071152496 /nfs/dbraw/zinc/15/24/96/1071152496.db2.gz OJXOIUOXOYHVII-OCCSQVGLSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000669752216 1071152524 /nfs/dbraw/zinc/15/25/24/1071152524.db2.gz OJXOIUOXOYHVII-TZMCWYRMSA-N 1 0 400.505 -0.783 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669772532 1071195811 /nfs/dbraw/zinc/19/58/11/1071195811.db2.gz HGBQVBWBAZFWHG-KRWDZBQOSA-N 1 0 423.539 -0.077 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669772533 1071195632 /nfs/dbraw/zinc/19/56/32/1071195632.db2.gz HGBQVBWBAZFWHG-QGZVFWFLSA-N 1 0 423.539 -0.077 20 0 HBADRO NS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000669773287 1071197204 /nfs/dbraw/zinc/19/72/04/1071197204.db2.gz GJEDPQVMHVWMGZ-UHFFFAOYSA-N 1 0 423.539 -0.075 20 0 HBADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000669787801 1071226193 /nfs/dbraw/zinc/22/61/93/1071226193.db2.gz OCWFAFNXNQCKRV-UHFFFAOYSA-N 1 0 408.524 -0.023 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC2CC(NS(C)(=O)=O)C2)c1 ZINC000669858466 1071328267 /nfs/dbraw/zinc/32/82/67/1071328267.db2.gz JTESEJFULSDMQV-UHFFFAOYSA-N 1 0 411.528 -0.143 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000669858691 1071326991 /nfs/dbraw/zinc/32/69/91/1071326991.db2.gz XCBHIOUWUUPNMH-QGZVFWFLSA-N 1 0 417.576 -0.683 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670134442 1071649568 /nfs/dbraw/zinc/64/95/68/1071649568.db2.gz NHONFWNJUWGECK-UHFFFAOYSA-N 1 0 417.576 -0.008 20 0 HBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670228551 1072140734 /nfs/dbraw/zinc/14/07/34/1072140734.db2.gz GVWTUNNEDKEAOB-UHFFFAOYSA-N 1 0 412.516 -0.325 20 0 HBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)c2)CC1 ZINC000670229314 1071728477 /nfs/dbraw/zinc/72/84/77/1071728477.db2.gz GHAIVZRQEHRHFW-UHFFFAOYSA-N 1 0 423.539 -0.431 20 0 HBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)c2)CC1 ZINC000670229585 1072141643 /nfs/dbraw/zinc/14/16/43/1072141643.db2.gz ZVPNOTJPNTWJCK-UHFFFAOYSA-N 1 0 423.539 -0.037 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000670251921 1071736259 /nfs/dbraw/zinc/73/62/59/1071736259.db2.gz IZSUSPQCEKSFTO-UHFFFAOYSA-N 1 0 412.516 -0.590 20 0 HBADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1=O ZINC000670257813 1071738595 /nfs/dbraw/zinc/73/85/95/1071738595.db2.gz QABMGWAZTCEFCB-CYBMUJFWSA-N 1 0 403.439 -0.168 20 0 HBADRO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1=O ZINC000670257814 1071738585 /nfs/dbraw/zinc/73/85/85/1071738585.db2.gz QABMGWAZTCEFCB-ZDUSSCGKSA-N 1 0 403.439 -0.168 20 0 HBADRO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1=O ZINC000670258569 1072189802 /nfs/dbraw/zinc/18/98/02/1072189802.db2.gz NBWYLJQANPXJNA-GOSISDBHSA-N 1 0 417.510 -0.012 20 0 HBADRO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1=O ZINC000670258570 1071738908 /nfs/dbraw/zinc/73/89/08/1071738908.db2.gz NBWYLJQANPXJNA-SFHVURJKSA-N 1 0 417.510 -0.012 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271306 1071741017 /nfs/dbraw/zinc/74/10/17/1071741017.db2.gz HLPVCUKXFVAHFD-UHFFFAOYSA-N 1 0 405.546 -0.151 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)cnc2n(C)c1=O ZINC000670390223 1071812830 /nfs/dbraw/zinc/81/28/30/1071812830.db2.gz BQNWTDKIPMMOPQ-HNNXBMFYSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2cc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)cnc2n(C)c1=O ZINC000670390224 1071812788 /nfs/dbraw/zinc/81/27/88/1071812788.db2.gz BQNWTDKIPMMOPQ-OAHLLOKOSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)nc2n(C)c1=O ZINC000670393079 1071813847 /nfs/dbraw/zinc/81/38/47/1071813847.db2.gz OWDSITXVEDAONP-AWEZNQCLSA-N 1 0 401.467 -0.041 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)nc2n(C)c1=O ZINC000670393080 1071813990 /nfs/dbraw/zinc/81/39/90/1071813990.db2.gz OWDSITXVEDAONP-CQSZACIVSA-N 1 0 401.467 -0.041 20 0 HBADRO CC(=O)NCC(=O)NC[C@@]1(NC(=O)CNC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670400732 1071822509 /nfs/dbraw/zinc/82/25/09/1071822509.db2.gz MRYVBGZIJRJDLV-FQEVSTJZSA-N 1 0 403.483 -0.864 20 0 HBADRO CC(=O)NCC(=O)NC[C@]1(NC(=O)CNC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670400733 1071822725 /nfs/dbraw/zinc/82/27/25/1071822725.db2.gz MRYVBGZIJRJDLV-HXUWFJFHSA-N 1 0 403.483 -0.864 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000670406255 1069354759 /nfs/dbraw/zinc/35/47/59/1069354759.db2.gz LJADQLYHHSHDBE-KRWDZBQOSA-N 1 0 407.540 -0.012 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000670406256 1071825803 /nfs/dbraw/zinc/82/58/03/1071825803.db2.gz LJADQLYHHSHDBE-QGZVFWFLSA-N 1 0 407.540 -0.012 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670406345 1071825766 /nfs/dbraw/zinc/82/57/66/1071825766.db2.gz OFSPBDAUAXPQAY-HNNXBMFYSA-N 1 0 423.539 -0.710 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000670406346 1071825703 /nfs/dbraw/zinc/82/57/03/1071825703.db2.gz OFSPBDAUAXPQAY-OAHLLOKOSA-N 1 0 423.539 -0.710 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000670409686 1071828212 /nfs/dbraw/zinc/82/82/12/1071828212.db2.gz SECUHRUDRIELAI-AWEZNQCLSA-N 1 0 413.569 -0.128 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000670409687 1069363404 /nfs/dbraw/zinc/36/34/04/1069363404.db2.gz SECUHRUDRIELAI-CQSZACIVSA-N 1 0 413.569 -0.128 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000670409932 1069363273 /nfs/dbraw/zinc/36/32/73/1069363273.db2.gz XKEBKVURMFVASA-AWEZNQCLSA-N 1 0 414.553 -0.111 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000670409933 1069363477 /nfs/dbraw/zinc/36/34/77/1069363477.db2.gz XKEBKVURMFVASA-CQSZACIVSA-N 1 0 414.553 -0.111 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)CC2)cn1C ZINC000670409944 1071827008 /nfs/dbraw/zinc/82/70/08/1071827008.db2.gz XQCDBROYNUNCNM-KRWDZBQOSA-N 1 0 424.571 -0.365 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cn1C ZINC000670409945 1069363218 /nfs/dbraw/zinc/36/32/18/1069363218.db2.gz XQCDBROYNUNCNM-QGZVFWFLSA-N 1 0 424.571 -0.365 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H](O)C3)c2)C1 ZINC000670434225 1071844771 /nfs/dbraw/zinc/84/47/71/1071844771.db2.gz PLPATVKTWDJXTP-MSOLQXFVSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H](O)C3)c2)C1 ZINC000670434226 1071844828 /nfs/dbraw/zinc/84/48/28/1071844828.db2.gz PLPATVKTWDJXTP-QZTJIDSGSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H](O)C3)c2)C1 ZINC000670434227 1071844887 /nfs/dbraw/zinc/84/48/87/1071844887.db2.gz PLPATVKTWDJXTP-ROUUACIJSA-N 1 0 402.495 -0.017 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H](O)C3)c2)C1 ZINC000670434228 1071844650 /nfs/dbraw/zinc/84/46/50/1071844650.db2.gz PLPATVKTWDJXTP-ZWKOTPCHSA-N 1 0 402.495 -0.017 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436045 1069415614 /nfs/dbraw/zinc/41/56/14/1069415614.db2.gz UCDNWMRGZALACS-KRWDZBQOSA-N 1 0 405.543 -0.258 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436046 1071846392 /nfs/dbraw/zinc/84/63/92/1071846392.db2.gz UCDNWMRGZALACS-QGZVFWFLSA-N 1 0 405.543 -0.258 20 0 HBADRO COc1cc(C(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC ZINC000670446710 1069420782 /nfs/dbraw/zinc/42/07/82/1069420782.db2.gz BSHYJZGCCBNDKO-HNNXBMFYSA-N 1 0 406.483 -0.052 20 0 HBADRO COc1cc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1OC ZINC000670446711 1071849149 /nfs/dbraw/zinc/84/91/49/1071849149.db2.gz BSHYJZGCCBNDKO-OAHLLOKOSA-N 1 0 406.483 -0.052 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000670447019 1069420895 /nfs/dbraw/zinc/42/08/95/1069420895.db2.gz DGYVUXWQNHXBTM-WMLDXEAASA-N 1 0 423.539 -0.182 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000670447020 1071849235 /nfs/dbraw/zinc/84/92/35/1071849235.db2.gz DGYVUXWQNHXBTM-YOEHRIQHSA-N 1 0 423.539 -0.182 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000670447067 1071849110 /nfs/dbraw/zinc/84/91/10/1071849110.db2.gz HBOISJAYJOCDGV-INIZCTEOSA-N 1 0 408.524 -0.332 20 0 HBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000670447068 1069420052 /nfs/dbraw/zinc/42/00/52/1069420052.db2.gz HBOISJAYJOCDGV-MRXNPFEDSA-N 1 0 408.524 -0.332 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000670447187 1071849005 /nfs/dbraw/zinc/84/90/05/1071849005.db2.gz MOIUIXWHOQDFHF-KRWDZBQOSA-N 1 0 408.524 -0.173 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000670447188 1069420839 /nfs/dbraw/zinc/42/08/39/1069420839.db2.gz MOIUIXWHOQDFHF-QGZVFWFLSA-N 1 0 408.524 -0.173 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000670479520 1071886057 /nfs/dbraw/zinc/88/60/57/1071886057.db2.gz AAHSQQCRDCDJGC-UHFFFAOYSA-N 1 0 409.575 -0.158 20 0 HBADRO CC1(C)CC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC(C)(C)[NH2+]1 ZINC000670481961 1069468850 /nfs/dbraw/zinc/46/88/50/1069468850.db2.gz WFOMSAMXTUECSF-UHFFFAOYSA-N 1 0 417.576 -0.895 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670483915 1069470640 /nfs/dbraw/zinc/47/06/40/1069470640.db2.gz UZPFYWKMFAVFAE-UHFFFAOYSA-N 1 0 408.524 -0.225 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c1=O ZINC000670503637 1069487204 /nfs/dbraw/zinc/48/72/04/1069487204.db2.gz LFNFGOQYLOIDKC-KRWDZBQOSA-N 1 0 412.494 -0.152 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c1=O ZINC000670503638 1069487077 /nfs/dbraw/zinc/48/70/77/1069487077.db2.gz LFNFGOQYLOIDKC-QGZVFWFLSA-N 1 0 412.494 -0.152 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCCC1 ZINC000670509583 1071907050 /nfs/dbraw/zinc/90/70/50/1071907050.db2.gz LYDKHWOOJZGLDS-UHFFFAOYSA-N 1 0 423.558 -0.630 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCCC1 ZINC000670509913 1071904635 /nfs/dbraw/zinc/90/46/35/1071904635.db2.gz WUYFLAAHKUFXAC-UHFFFAOYSA-N 1 0 417.576 -0.940 20 0 HBADRO CN(C(=O)C(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670537002 1071926642 /nfs/dbraw/zinc/92/66/42/1071926642.db2.gz SIAKDUCCPDLPDY-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CN(C(=O)C(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670537003 1071926800 /nfs/dbraw/zinc/92/68/00/1071926800.db2.gz SIAKDUCCPDLPDY-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC(C)(C)N3CCOCC3)CC2)c1 ZINC000670537183 1071926196 /nfs/dbraw/zinc/92/61/96/1071926196.db2.gz PWPYJAZYBIXVBG-UHFFFAOYSA-N 1 0 405.499 -0.034 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC(C)(C)N2CCOCC2)ccn1 ZINC000670537209 1071926147 /nfs/dbraw/zinc/92/61/47/1071926147.db2.gz ZZHSOCYIJYYAIV-UHFFFAOYSA-N 1 0 407.515 -0.135 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000670545493 1068267546 /nfs/dbraw/zinc/26/75/46/1068267546.db2.gz XASSZSLGAKEPMF-UHFFFAOYSA-N 1 0 403.531 -0.296 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000670572888 1071964222 /nfs/dbraw/zinc/96/42/22/1071964222.db2.gz MUEOXHZYZRLBAD-UHFFFAOYSA-N 1 0 417.576 -0.940 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2=O)cn1 ZINC000670608011 1071998405 /nfs/dbraw/zinc/99/84/05/1071998405.db2.gz XVYPRHWYJGSDBK-AEFFLSMTSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2=O)cn1 ZINC000670608012 1071998372 /nfs/dbraw/zinc/99/83/72/1071998372.db2.gz XVYPRHWYJGSDBK-FUHWJXTLSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2=O)cn1 ZINC000670608013 1071998489 /nfs/dbraw/zinc/99/84/89/1071998489.db2.gz XVYPRHWYJGSDBK-SJLPKXTDSA-N 1 0 412.494 -0.069 20 0 HBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2=O)cn1 ZINC000670608014 1071998461 /nfs/dbraw/zinc/99/84/61/1071998461.db2.gz XVYPRHWYJGSDBK-WMZOPIPTSA-N 1 0 412.494 -0.069 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000670608199 1071998449 /nfs/dbraw/zinc/99/84/49/1071998449.db2.gz VBFQUNAXGNGHMQ-DLBZAZTESA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000670608200 1071998500 /nfs/dbraw/zinc/99/85/00/1071998500.db2.gz VBFQUNAXGNGHMQ-IAGOWNOFSA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000670608201 1071998442 /nfs/dbraw/zinc/99/84/42/1071998442.db2.gz VBFQUNAXGNGHMQ-IRXDYDNUSA-N 1 0 410.540 -0.184 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000670608202 1071998393 /nfs/dbraw/zinc/99/83/93/1071998393.db2.gz VBFQUNAXGNGHMQ-SJORKVTESA-N 1 0 410.540 -0.184 20 0 HBADRO COc1cccc([C@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC000670622298 1072013449 /nfs/dbraw/zinc/01/34/49/1072013449.db2.gz QXVGKVVAJHPDKV-INIZCTEOSA-N 1 0 412.512 -0.578 20 0 HBADRO COc1cccc([C@@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)c1 ZINC000670622299 1072013951 /nfs/dbraw/zinc/01/39/51/1072013951.db2.gz QXVGKVVAJHPDKV-MRXNPFEDSA-N 1 0 412.512 -0.578 20 0 HBADRO CCc1ccc([C@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC000670623044 1072014416 /nfs/dbraw/zinc/01/44/16/1072014416.db2.gz VNXCSMIPJXLOLM-KRWDZBQOSA-N 1 0 410.540 -0.025 20 0 HBADRO CCc1ccc([C@@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC000670623045 1072014551 /nfs/dbraw/zinc/01/45/51/1072014551.db2.gz VNXCSMIPJXLOLM-QGZVFWFLSA-N 1 0 410.540 -0.025 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623488 1072013851 /nfs/dbraw/zinc/01/38/51/1072013851.db2.gz FEURKHDFJTWAOU-KRWDZBQOSA-N 1 0 401.511 -0.343 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623489 1072014056 /nfs/dbraw/zinc/01/40/56/1072014056.db2.gz FEURKHDFJTWAOU-QGZVFWFLSA-N 1 0 401.511 -0.343 20 0 HBADRO COCC1(O)CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670623534 1072013999 /nfs/dbraw/zinc/01/39/99/1072013999.db2.gz PDRMCAYCEOXSPO-UHFFFAOYSA-N 1 0 418.538 -0.080 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670623562 1072014688 /nfs/dbraw/zinc/01/46/88/1072014688.db2.gz UXSXJDQYOITHNH-UHFFFAOYSA-N 1 0 418.538 -0.080 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000670623598 1072014910 /nfs/dbraw/zinc/01/49/10/1072014910.db2.gz BOKONRMCEWSGQJ-AZUAARDMSA-N 1 0 417.554 -0.244 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000670623599 1072015225 /nfs/dbraw/zinc/01/52/25/1072015225.db2.gz BOKONRMCEWSGQJ-ICSRJNTNSA-N 1 0 417.554 -0.244 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000670623600 1072015298 /nfs/dbraw/zinc/01/52/98/1072015298.db2.gz BOKONRMCEWSGQJ-QUCCMNQESA-N 1 0 417.554 -0.244 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000670623601 1072015049 /nfs/dbraw/zinc/01/50/49/1072015049.db2.gz BOKONRMCEWSGQJ-UYAOXDASSA-N 1 0 417.554 -0.244 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000670624792 1072015663 /nfs/dbraw/zinc/01/56/63/1072015663.db2.gz ZCHNWOJCWHPUEA-KRWDZBQOSA-N 1 0 408.524 -0.053 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000670624793 1072015743 /nfs/dbraw/zinc/01/57/43/1072015743.db2.gz ZCHNWOJCWHPUEA-QGZVFWFLSA-N 1 0 408.524 -0.053 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670635920 1068512508 /nfs/dbraw/zinc/51/25/08/1068512508.db2.gz OLMSWJAYNMJNOQ-UHFFFAOYSA-N 1 0 423.558 -0.092 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670637381 1072021695 /nfs/dbraw/zinc/02/16/95/1072021695.db2.gz KKTXZXCIFWODKW-UHFFFAOYSA-N 1 0 421.542 -0.338 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670637541 1072021625 /nfs/dbraw/zinc/02/16/25/1072021625.db2.gz PCYCUUGZLJYNNC-UHFFFAOYSA-N 1 0 423.558 -0.046 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670637918 1072024196 /nfs/dbraw/zinc/02/41/96/1072024196.db2.gz BRODJZOUTWYZRQ-KRWDZBQOSA-N 1 0 423.558 -0.046 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670637919 1072024000 /nfs/dbraw/zinc/02/40/00/1072024000.db2.gz BRODJZOUTWYZRQ-QGZVFWFLSA-N 1 0 423.558 -0.046 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670638693 1072025664 /nfs/dbraw/zinc/02/56/64/1072025664.db2.gz FQIRYFFYUXWLIW-KRWDZBQOSA-N 1 0 421.542 -0.340 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670638694 1072025479 /nfs/dbraw/zinc/02/54/79/1072025479.db2.gz FQIRYFFYUXWLIW-QGZVFWFLSA-N 1 0 421.542 -0.340 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670640540 1072026218 /nfs/dbraw/zinc/02/62/18/1072026218.db2.gz SSSDDQLCSUJXIF-HNNXBMFYSA-N 1 0 405.499 -0.042 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670640541 1072026416 /nfs/dbraw/zinc/02/64/16/1072026416.db2.gz SSSDDQLCSUJXIF-OAHLLOKOSA-N 1 0 405.499 -0.042 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)C1 ZINC000670662769 1072044318 /nfs/dbraw/zinc/04/43/18/1072044318.db2.gz SOVSKWLLDDJFHQ-INIZCTEOSA-N 1 0 403.531 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)C1 ZINC000670662770 1072044296 /nfs/dbraw/zinc/04/42/96/1072044296.db2.gz SOVSKWLLDDJFHQ-MRXNPFEDSA-N 1 0 403.531 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000670663593 1072044398 /nfs/dbraw/zinc/04/43/98/1072044398.db2.gz YTXWYWOLLTWULC-INIZCTEOSA-N 1 0 424.523 -0.466 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000670663594 1072044424 /nfs/dbraw/zinc/04/44/24/1072044424.db2.gz YTXWYWOLLTWULC-MRXNPFEDSA-N 1 0 424.523 -0.466 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000670671252 1072048135 /nfs/dbraw/zinc/04/81/35/1072048135.db2.gz AODWMZSCRBBVON-DLBZAZTESA-N 1 0 410.515 -0.691 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000670671253 1072048082 /nfs/dbraw/zinc/04/80/82/1072048082.db2.gz AODWMZSCRBBVON-IAGOWNOFSA-N 1 0 410.515 -0.691 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000670671254 1072048047 /nfs/dbraw/zinc/04/80/47/1072048047.db2.gz AODWMZSCRBBVON-IRXDYDNUSA-N 1 0 410.515 -0.691 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000670671255 1072048160 /nfs/dbraw/zinc/04/81/60/1072048160.db2.gz AODWMZSCRBBVON-SJORKVTESA-N 1 0 410.515 -0.691 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000670671608 1072050865 /nfs/dbraw/zinc/05/08/65/1072050865.db2.gz GLDOAZPZQCAERP-KRWDZBQOSA-N 1 0 412.531 -0.539 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000670671609 1072050512 /nfs/dbraw/zinc/05/05/12/1072050512.db2.gz GLDOAZPZQCAERP-QGZVFWFLSA-N 1 0 412.531 -0.539 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000670671795 1072050939 /nfs/dbraw/zinc/05/09/39/1072050939.db2.gz GFDZEUBPMHRHMH-KRWDZBQOSA-N 1 0 404.515 -0.093 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000670671796 1072050839 /nfs/dbraw/zinc/05/08/39/1072050839.db2.gz GFDZEUBPMHRHMH-QGZVFWFLSA-N 1 0 404.515 -0.093 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000670712726 1072063893 /nfs/dbraw/zinc/06/38/93/1072063893.db2.gz YBADBHCMRUZVDO-UHFFFAOYSA-N 1 0 408.524 -0.094 20 0 HBADRO COc1ccc(OCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000670723807 1072070713 /nfs/dbraw/zinc/07/07/13/1072070713.db2.gz SIQZDZMCEOBXIR-UHFFFAOYSA-N 1 0 418.494 -0.043 20 0 HBADRO COc1ccc(OCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000670725194 1072070750 /nfs/dbraw/zinc/07/07/50/1072070750.db2.gz YDBUKTSERDQQGH-GOSISDBHSA-N 1 0 418.494 -0.045 20 0 HBADRO COc1ccc(OCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000670725195 1072070598 /nfs/dbraw/zinc/07/05/98/1072070598.db2.gz YDBUKTSERDQQGH-SFHVURJKSA-N 1 0 418.494 -0.045 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000670728185 1068909287 /nfs/dbraw/zinc/90/92/87/1068909287.db2.gz DFYUKVDVBVIXJZ-UHFFFAOYSA-N 1 0 408.524 -0.094 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000670740258 1072083121 /nfs/dbraw/zinc/08/31/21/1072083121.db2.gz FXVZGIFMIQBLFV-INIZCTEOSA-N 1 0 412.512 -0.811 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000670740259 1072083203 /nfs/dbraw/zinc/08/32/03/1072083203.db2.gz FXVZGIFMIQBLFV-MRXNPFEDSA-N 1 0 412.512 -0.811 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000670740572 1072082788 /nfs/dbraw/zinc/08/27/88/1072082788.db2.gz QGPDCZHNOXEZME-KRWDZBQOSA-N 1 0 408.524 -0.048 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000670740573 1072082691 /nfs/dbraw/zinc/08/26/91/1072082691.db2.gz QGPDCZHNOXEZME-QGZVFWFLSA-N 1 0 408.524 -0.048 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000670741975 1072085497 /nfs/dbraw/zinc/08/54/97/1072085497.db2.gz IHIZFMDDSVGMNU-CXAGYDPISA-N 1 0 408.524 -0.049 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000670741976 1072085354 /nfs/dbraw/zinc/08/53/54/1072085354.db2.gz IHIZFMDDSVGMNU-DYVFJYSZSA-N 1 0 408.524 -0.049 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000670741977 1072085121 /nfs/dbraw/zinc/08/51/21/1072085121.db2.gz IHIZFMDDSVGMNU-GUYCJALGSA-N 1 0 408.524 -0.049 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000670741978 1072085447 /nfs/dbraw/zinc/08/54/47/1072085447.db2.gz IHIZFMDDSVGMNU-SUMWQHHRSA-N 1 0 408.524 -0.049 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000670742112 1072085515 /nfs/dbraw/zinc/08/55/15/1072085515.db2.gz LVYRZRHPIBIBOL-DLBZAZTESA-N 1 0 408.524 -0.095 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000670742113 1072085179 /nfs/dbraw/zinc/08/51/79/1072085179.db2.gz LVYRZRHPIBIBOL-IAGOWNOFSA-N 1 0 408.524 -0.095 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000670742114 1072085219 /nfs/dbraw/zinc/08/52/19/1072085219.db2.gz LVYRZRHPIBIBOL-IRXDYDNUSA-N 1 0 408.524 -0.095 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000670742115 1072085413 /nfs/dbraw/zinc/08/54/13/1072085413.db2.gz LVYRZRHPIBIBOL-SJORKVTESA-N 1 0 408.524 -0.095 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000670742234 1072085272 /nfs/dbraw/zinc/08/52/72/1072085272.db2.gz OMBIVSNRPNVUOD-INIZCTEOSA-N 1 0 408.524 -0.048 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000670742235 1072085148 /nfs/dbraw/zinc/08/51/48/1072085148.db2.gz OMBIVSNRPNVUOD-MRXNPFEDSA-N 1 0 408.524 -0.048 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775144 1072095032 /nfs/dbraw/zinc/09/50/32/1072095032.db2.gz ORRNWKFERDJFKQ-INIZCTEOSA-N 1 0 417.558 -0.052 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775145 1072094772 /nfs/dbraw/zinc/09/47/72/1072094772.db2.gz ORRNWKFERDJFKQ-MRXNPFEDSA-N 1 0 417.558 -0.052 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)C1 ZINC000670775475 1072094864 /nfs/dbraw/zinc/09/48/64/1072094864.db2.gz FATWROFMORIYAQ-KRWDZBQOSA-N 1 0 417.558 -0.098 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)C1 ZINC000670775476 1072094952 /nfs/dbraw/zinc/09/49/52/1072094952.db2.gz FATWROFMORIYAQ-QGZVFWFLSA-N 1 0 417.558 -0.098 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@H]3CCOC3)cn2)CC1 ZINC000670786368 1072096432 /nfs/dbraw/zinc/09/64/32/1072096432.db2.gz ILSMMMMHERDABV-KRWDZBQOSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCOC[C@@H]3CCOC3)cn2)CC1 ZINC000670786369 1072096574 /nfs/dbraw/zinc/09/65/74/1072096574.db2.gz ILSMMMMHERDABV-QGZVFWFLSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000670786414 1072096393 /nfs/dbraw/zinc/09/63/93/1072096393.db2.gz YRTCTVFEJWXDDS-MSOLQXFVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000670786415 1072096534 /nfs/dbraw/zinc/09/65/34/1072096534.db2.gz YRTCTVFEJWXDDS-QZTJIDSGSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000670786416 1072096670 /nfs/dbraw/zinc/09/66/70/1072096670.db2.gz YRTCTVFEJWXDDS-ROUUACIJSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000670786417 1072096512 /nfs/dbraw/zinc/09/65/12/1072096512.db2.gz YRTCTVFEJWXDDS-ZWKOTPCHSA-N 1 0 417.510 -0.144 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000670786454 1072096719 /nfs/dbraw/zinc/09/67/19/1072096719.db2.gz LTDHMUVCDVQOQW-UHFFFAOYSA-N 1 0 405.499 -0.551 20 0 HBADRO COC1(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000670786529 1072096696 /nfs/dbraw/zinc/09/66/96/1072096696.db2.gz OVCWLEWMDZORFL-UHFFFAOYSA-N 1 0 405.499 -0.239 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000670786564 1072096377 /nfs/dbraw/zinc/09/63/77/1072096377.db2.gz YVTGIYXAARPGSA-UHFFFAOYSA-N 1 0 416.526 -0.224 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC(OCCCO)CC3)cn2)CC1 ZINC000670786694 1068981392 /nfs/dbraw/zinc/98/13/92/1068981392.db2.gz YPGAEVARQWXDCO-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CN(C)CCO1 ZINC000670786712 1072096744 /nfs/dbraw/zinc/09/67/44/1072096744.db2.gz KORZPRMCQPNEQC-DOTOQJQBSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CN(C)CCO1 ZINC000670786713 1072096464 /nfs/dbraw/zinc/09/64/64/1072096464.db2.gz KORZPRMCQPNEQC-NVXWUHKLSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CN(C)CCO1 ZINC000670786714 1068981316 /nfs/dbraw/zinc/98/13/16/1068981316.db2.gz KORZPRMCQPNEQC-RDJZCZTQSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CN(C)CCO1 ZINC000670786715 1068982309 /nfs/dbraw/zinc/98/23/09/1068982309.db2.gz KORZPRMCQPNEQC-WBVHZDCISA-N 1 0 404.515 -0.715 20 0 HBADRO CNC(=O)CC1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000670786844 1072097130 /nfs/dbraw/zinc/09/71/30/1072097130.db2.gz XGYUULSQHGHDLQ-UHFFFAOYSA-N 1 0 416.526 -0.176 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000670813342 1072102845 /nfs/dbraw/zinc/10/28/45/1072102845.db2.gz RCLCDJIEHSFKLC-HKUYNNGSSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000670813343 1072102726 /nfs/dbraw/zinc/10/27/26/1072102726.db2.gz RCLCDJIEHSFKLC-IEBWSBKVSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000670813344 1072102673 /nfs/dbraw/zinc/10/26/73/1072102673.db2.gz RCLCDJIEHSFKLC-MJGOQNOKSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000670813345 1072102908 /nfs/dbraw/zinc/10/29/08/1072102908.db2.gz RCLCDJIEHSFKLC-PKOBYXMFSA-N 1 0 409.575 -0.256 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000670814266 1072104145 /nfs/dbraw/zinc/10/41/45/1072104145.db2.gz ZPRVYEXODVYNPW-MOPGFXCFSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000670814267 1072103992 /nfs/dbraw/zinc/10/39/92/1072103992.db2.gz ZPRVYEXODVYNPW-OALUTQOASA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000670814268 1072104091 /nfs/dbraw/zinc/10/40/91/1072104091.db2.gz ZPRVYEXODVYNPW-RBUKOAKNSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCOCC1 ZINC000670814269 1069237497 /nfs/dbraw/zinc/23/74/97/1069237497.db2.gz ZPRVYEXODVYNPW-RTBURBONSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000670833457 1072110359 /nfs/dbraw/zinc/11/03/59/1072110359.db2.gz WJGRSCJOWBPEJK-MOPGFXCFSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000670833458 1072110447 /nfs/dbraw/zinc/11/04/47/1072110447.db2.gz WJGRSCJOWBPEJK-OALUTQOASA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000670833459 1069291692 /nfs/dbraw/zinc/29/16/92/1069291692.db2.gz WJGRSCJOWBPEJK-RBUKOAKNSA-N 1 0 409.575 -0.302 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000670833460 1072109410 /nfs/dbraw/zinc/10/94/10/1072109410.db2.gz WJGRSCJOWBPEJK-RTBURBONSA-N 1 0 409.575 -0.302 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000670833553 1072110008 /nfs/dbraw/zinc/11/00/08/1072110008.db2.gz OYOMKPGJRKHHGU-GOSISDBHSA-N 1 0 417.558 -0.178 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000670833554 1072110027 /nfs/dbraw/zinc/11/00/27/1072110027.db2.gz OYOMKPGJRKHHGU-SFHVURJKSA-N 1 0 417.558 -0.178 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000670834080 1072110351 /nfs/dbraw/zinc/11/03/51/1072110351.db2.gz PINBZGPACWUPFH-IBGZPJMESA-N 1 0 411.591 -0.056 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000670834081 1072110405 /nfs/dbraw/zinc/11/04/05/1072110405.db2.gz PINBZGPACWUPFH-LJQANCHMSA-N 1 0 411.591 -0.056 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000670834086 1072110411 /nfs/dbraw/zinc/11/04/11/1072110411.db2.gz PYWLWJRODUWJAK-FGTMMUONSA-N 1 0 414.547 -0.689 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000670834087 1072110339 /nfs/dbraw/zinc/11/03/39/1072110339.db2.gz PYWLWJRODUWJAK-KZNAEPCWSA-N 1 0 414.547 -0.689 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000670834088 1069293777 /nfs/dbraw/zinc/29/37/77/1069293777.db2.gz PYWLWJRODUWJAK-OKZBNKHCSA-N 1 0 414.547 -0.689 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000670834089 1072110384 /nfs/dbraw/zinc/11/03/84/1072110384.db2.gz PYWLWJRODUWJAK-RCCFBDPRSA-N 1 0 414.547 -0.689 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000670834138 1072110320 /nfs/dbraw/zinc/11/03/20/1072110320.db2.gz XCRSDSZSZGGFFG-CEXWTWQISA-N 1 0 411.591 -0.058 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000670834139 1072110427 /nfs/dbraw/zinc/11/04/27/1072110427.db2.gz XCRSDSZSZGGFFG-OTWHNJEPSA-N 1 0 411.591 -0.058 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670836800 1072113533 /nfs/dbraw/zinc/11/35/33/1072113533.db2.gz QRPDWDVTNQWWDK-MSOLQXFVSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670836801 1072113418 /nfs/dbraw/zinc/11/34/18/1072113418.db2.gz QRPDWDVTNQWWDK-QZTJIDSGSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670836802 1072113361 /nfs/dbraw/zinc/11/33/61/1072113361.db2.gz QRPDWDVTNQWWDK-ROUUACIJSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670836803 1072113463 /nfs/dbraw/zinc/11/34/63/1072113463.db2.gz QRPDWDVTNQWWDK-ZWKOTPCHSA-N 1 0 415.542 -0.152 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670836808 1072113338 /nfs/dbraw/zinc/11/33/38/1072113338.db2.gz SWCHOMYDGJFJDR-GOSISDBHSA-N 1 0 415.542 -0.295 20 0 HBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670836809 1072113482 /nfs/dbraw/zinc/11/34/82/1072113482.db2.gz SWCHOMYDGJFJDR-SFHVURJKSA-N 1 0 415.542 -0.295 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000670836998 1072112943 /nfs/dbraw/zinc/11/29/43/1072112943.db2.gz NHNKCHIDMFQTNT-KRWDZBQOSA-N 1 0 417.558 -0.049 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000670836999 1072112879 /nfs/dbraw/zinc/11/28/79/1072112879.db2.gz NHNKCHIDMFQTNT-QGZVFWFLSA-N 1 0 417.558 -0.049 20 0 HBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670838883 1072114316 /nfs/dbraw/zinc/11/43/16/1072114316.db2.gz LUXDBZSSOMAJSP-UHFFFAOYSA-N 1 0 417.491 -0.175 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000670839363 1072115669 /nfs/dbraw/zinc/11/56/69/1072115669.db2.gz YNWJCXFGGFUHTC-CYBMUJFWSA-N 1 0 402.904 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000670839364 1072115707 /nfs/dbraw/zinc/11/57/07/1072115707.db2.gz YNWJCXFGGFUHTC-ZDUSSCGKSA-N 1 0 402.904 -0.055 20 0 HBADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000670839540 1072114738 /nfs/dbraw/zinc/11/47/38/1072114738.db2.gz BJSBJQHAWGEXGU-MSOLQXFVSA-N 1 0 400.527 -0.003 20 0 HBADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000670839541 1072114808 /nfs/dbraw/zinc/11/48/08/1072114808.db2.gz BJSBJQHAWGEXGU-QZTJIDSGSA-N 1 0 400.527 -0.003 20 0 HBADRO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000670839542 1072114849 /nfs/dbraw/zinc/11/48/49/1072114849.db2.gz BJSBJQHAWGEXGU-ROUUACIJSA-N 1 0 400.527 -0.003 20 0 HBADRO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000670839543 1072114787 /nfs/dbraw/zinc/11/47/87/1072114787.db2.gz BJSBJQHAWGEXGU-ZWKOTPCHSA-N 1 0 400.527 -0.003 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846059 1072117137 /nfs/dbraw/zinc/11/71/37/1072117137.db2.gz FCRQIHOZXUBNBO-INIZCTEOSA-N 1 0 422.551 -0.009 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846060 1072117040 /nfs/dbraw/zinc/11/70/40/1072117040.db2.gz FCRQIHOZXUBNBO-MRXNPFEDSA-N 1 0 422.551 -0.009 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000670846082 1072117162 /nfs/dbraw/zinc/11/71/62/1072117162.db2.gz NZZWZYOXDDSFIN-KRWDZBQOSA-N 1 0 422.551 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000670846083 1072117030 /nfs/dbraw/zinc/11/70/30/1072117030.db2.gz NZZWZYOXDDSFIN-QGZVFWFLSA-N 1 0 422.551 -0.055 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877164 1072122172 /nfs/dbraw/zinc/12/21/72/1072122172.db2.gz HMFUFSNSJVVXMF-INIZCTEOSA-N 1 0 400.545 -0.093 20 0 HBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877165 1069501829 /nfs/dbraw/zinc/50/18/29/1069501829.db2.gz HMFUFSNSJVVXMF-MRXNPFEDSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000670877769 1072122743 /nfs/dbraw/zinc/12/27/43/1072122743.db2.gz LFWVYCSOTWHRNG-UHFFFAOYSA-N 1 0 422.551 -0.183 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000670878012 1072122627 /nfs/dbraw/zinc/12/26/27/1072122627.db2.gz FEADRFKLWDKJPU-UHFFFAOYSA-N 1 0 403.531 -0.424 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000670878072 1072122689 /nfs/dbraw/zinc/12/26/89/1072122689.db2.gz VIMFXPXJWZSMDJ-UHFFFAOYSA-N 1 0 410.563 -0.219 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)cn1 ZINC000670878202 1072122659 /nfs/dbraw/zinc/12/26/59/1072122659.db2.gz LCYMOYLRPRIWPC-UHFFFAOYSA-N 1 0 405.547 -0.794 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000670879302 1072123199 /nfs/dbraw/zinc/12/31/99/1072123199.db2.gz KWJAJKOPSXAEKQ-UHFFFAOYSA-N 1 0 403.483 -0.521 20 0 HBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670889218 1072125448 /nfs/dbraw/zinc/12/54/48/1072125448.db2.gz QTLUAKXNUIKONC-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670889219 1072125899 /nfs/dbraw/zinc/12/58/99/1072125899.db2.gz QTLUAKXNUIKONC-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000670890091 1072126357 /nfs/dbraw/zinc/12/63/57/1072126357.db2.gz BNDCHSARCGNIAG-INIZCTEOSA-N 1 0 401.467 -0.915 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000670890092 1072126328 /nfs/dbraw/zinc/12/63/28/1072126328.db2.gz BNDCHSARCGNIAG-MRXNPFEDSA-N 1 0 401.467 -0.915 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[N@H+](C)C1CC1 ZINC000670890139 1072126339 /nfs/dbraw/zinc/12/63/39/1072126339.db2.gz KYLXSSRONFSKKF-AWEZNQCLSA-N 1 0 415.494 -0.526 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[N@H+](C)C1CC1 ZINC000670890140 1072125888 /nfs/dbraw/zinc/12/58/88/1072125888.db2.gz KYLXSSRONFSKKF-CQSZACIVSA-N 1 0 415.494 -0.526 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCOC[C@H]3CCOC3)ccn2)CC1 ZINC000670892112 1072126842 /nfs/dbraw/zinc/12/68/42/1072126842.db2.gz MWHAKAPYSWPEGZ-KRWDZBQOSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCOC[C@@H]3CCOC3)ccn2)CC1 ZINC000670892113 1069541379 /nfs/dbraw/zinc/54/13/79/1069541379.db2.gz MWHAKAPYSWPEGZ-QGZVFWFLSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)ccn2)CC1 ZINC000670892162 1072126834 /nfs/dbraw/zinc/12/68/34/1072126834.db2.gz ZNDFUUTWWCJRAJ-MSOLQXFVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)ccn2)CC1 ZINC000670892163 1072126801 /nfs/dbraw/zinc/12/68/01/1072126801.db2.gz ZNDFUUTWWCJRAJ-QZTJIDSGSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)ccn2)CC1 ZINC000670892164 1072127224 /nfs/dbraw/zinc/12/72/24/1072127224.db2.gz ZNDFUUTWWCJRAJ-ROUUACIJSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)ccn2)CC1 ZINC000670892165 1072127391 /nfs/dbraw/zinc/12/73/91/1072127391.db2.gz ZNDFUUTWWCJRAJ-ZWKOTPCHSA-N 1 0 417.510 -0.144 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000670892180 1072127207 /nfs/dbraw/zinc/12/72/07/1072127207.db2.gz DKVBNZACELBQBU-UHFFFAOYSA-N 1 0 405.499 -0.551 20 0 HBADRO COC1(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCOCC1 ZINC000670892246 1072126734 /nfs/dbraw/zinc/12/67/34/1072126734.db2.gz VQIIRHVFGCWJAB-UHFFFAOYSA-N 1 0 405.499 -0.239 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000670892340 1072126847 /nfs/dbraw/zinc/12/68/47/1072126847.db2.gz UKKOZKPYFURUOI-UHFFFAOYSA-N 1 0 418.542 -0.370 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC(OCCCO)CC3)ccn2)CC1 ZINC000670892341 1072126748 /nfs/dbraw/zinc/12/67/48/1072126748.db2.gz UXIGHHLEUBFDSZ-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CN(C)CCO1 ZINC000670892349 1072126888 /nfs/dbraw/zinc/12/68/88/1072126888.db2.gz WPSZPOFTOMTIPI-DOTOQJQBSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CN(C)CCO1 ZINC000670892350 1072126869 /nfs/dbraw/zinc/12/68/69/1072126869.db2.gz WPSZPOFTOMTIPI-NVXWUHKLSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CN(C)CCO1 ZINC000670892351 1072126818 /nfs/dbraw/zinc/12/68/18/1072126818.db2.gz WPSZPOFTOMTIPI-RDJZCZTQSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CN(C)CCO1 ZINC000670892352 1072126773 /nfs/dbraw/zinc/12/67/73/1072126773.db2.gz WPSZPOFTOMTIPI-WBVHZDCISA-N 1 0 404.515 -0.715 20 0 HBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892416 1072126793 /nfs/dbraw/zinc/12/67/93/1072126793.db2.gz RQEKEURDNJUDGE-CYBMUJFWSA-N 1 0 403.405 -0.169 20 0 HBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892417 1072126838 /nfs/dbraw/zinc/12/68/38/1072126838.db2.gz RQEKEURDNJUDGE-ZDUSSCGKSA-N 1 0 403.405 -0.169 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000670904801 1072127796 /nfs/dbraw/zinc/12/77/96/1072127796.db2.gz TZPYYOYBYOVWLS-UHFFFAOYSA-N 1 0 408.524 -0.094 20 0 HBADRO COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1O ZINC000670910291 1072128229 /nfs/dbraw/zinc/12/82/29/1072128229.db2.gz RGBJBXYDEKYLEV-UHFFFAOYSA-N 1 0 404.467 -0.216 20 0 HBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000670958668 1072131641 /nfs/dbraw/zinc/13/16/41/1072131641.db2.gz IZHSYPDKLCOOOE-UHFFFAOYSA-N 1 0 417.510 -0.131 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(C(C)C)C3=O)cn2)CC1 ZINC000670959652 1072132177 /nfs/dbraw/zinc/13/21/77/1072132177.db2.gz DFBUFZRZBYHLSV-KRWDZBQOSA-N 1 0 416.526 -0.035 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(C(C)C)C3=O)cn2)CC1 ZINC000670959653 1072132258 /nfs/dbraw/zinc/13/22/58/1072132258.db2.gz DFBUFZRZBYHLSV-QGZVFWFLSA-N 1 0 416.526 -0.035 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cn2)CC1 ZINC000670959657 1072132207 /nfs/dbraw/zinc/13/22/07/1072132207.db2.gz FEAIGLXXQISPII-HNNXBMFYSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cn2)CC1 ZINC000670959658 1071161459 /nfs/dbraw/zinc/16/14/59/1071161459.db2.gz FEAIGLXXQISPII-OAHLLOKOSA-N 1 0 402.499 -0.423 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC(CO)(OC)CC3)cn2)CC1 ZINC000670959665 1072132223 /nfs/dbraw/zinc/13/22/23/1072132223.db2.gz FIGRWZSLYOEEPS-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)cn2)CC1 ZINC000670959929 1072132854 /nfs/dbraw/zinc/13/28/54/1072132854.db2.gz AVJULCVCFFJUST-AEFFLSMTSA-N 1 0 418.542 -0.325 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cn2)CC1 ZINC000670959930 1072132882 /nfs/dbraw/zinc/13/28/82/1072132882.db2.gz AVJULCVCFFJUST-FUHWJXTLSA-N 1 0 418.542 -0.325 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)cn2)CC1 ZINC000670959931 1072132747 /nfs/dbraw/zinc/13/27/47/1072132747.db2.gz AVJULCVCFFJUST-SJLPKXTDSA-N 1 0 418.542 -0.325 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)cn2)CC1 ZINC000670959932 1072132801 /nfs/dbraw/zinc/13/28/01/1072132801.db2.gz AVJULCVCFFJUST-WMZOPIPTSA-N 1 0 418.542 -0.325 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967252 1072133898 /nfs/dbraw/zinc/13/38/98/1072133898.db2.gz KHRAILSYCYSHFV-AEFFLSMTSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967253 1072133756 /nfs/dbraw/zinc/13/37/56/1072133756.db2.gz KHRAILSYCYSHFV-FUHWJXTLSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967254 1072133835 /nfs/dbraw/zinc/13/38/35/1072133835.db2.gz KHRAILSYCYSHFV-SJLPKXTDSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967255 1072134288 /nfs/dbraw/zinc/13/42/88/1072134288.db2.gz KHRAILSYCYSHFV-WMZOPIPTSA-N 1 0 405.543 -0.258 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000670967463 1072133875 /nfs/dbraw/zinc/13/38/75/1072133875.db2.gz CARBMSOACLCRMZ-UHFFFAOYSA-N 1 0 409.531 -0.972 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670967572 1072135432 /nfs/dbraw/zinc/13/54/32/1072135432.db2.gz ADZBYJIMFUHYST-IBGZPJMESA-N 1 0 415.538 0.000 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670967573 1072135287 /nfs/dbraw/zinc/13/52/87/1072135287.db2.gz ADZBYJIMFUHYST-LJQANCHMSA-N 1 0 415.538 0.000 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000670970541 1072136486 /nfs/dbraw/zinc/13/64/86/1072136486.db2.gz AICLJPNYHTWBTB-INIZCTEOSA-N 1 0 402.561 -0.133 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000670970542 1072136439 /nfs/dbraw/zinc/13/64/39/1072136439.db2.gz AICLJPNYHTWBTB-MRXNPFEDSA-N 1 0 402.561 -0.133 20 0 HBADRO CC(C)(CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000670977285 1072136447 /nfs/dbraw/zinc/13/64/47/1072136447.db2.gz PWKJXBDNJMDNAK-UHFFFAOYSA-N 1 0 422.551 -0.053 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)C1 ZINC000670977778 1072136412 /nfs/dbraw/zinc/13/64/12/1072136412.db2.gz DKFGTTDNNIQUNN-KRWDZBQOSA-N 1 0 402.499 -0.834 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)C1 ZINC000670977779 1072136515 /nfs/dbraw/zinc/13/65/15/1072136515.db2.gz DKFGTTDNNIQUNN-QGZVFWFLSA-N 1 0 402.499 -0.834 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977801 1072136525 /nfs/dbraw/zinc/13/65/25/1072136525.db2.gz KPIHLOIUDMUQPA-INIZCTEOSA-N 1 0 402.499 -0.788 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977802 1072136473 /nfs/dbraw/zinc/13/64/73/1072136473.db2.gz KPIHLOIUDMUQPA-MRXNPFEDSA-N 1 0 402.499 -0.788 20 0 HBADRO CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670977815 1072136490 /nfs/dbraw/zinc/13/64/90/1072136490.db2.gz PFBNACBWGSXFKK-GOSISDBHSA-N 1 0 416.526 -0.446 20 0 HBADRO CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670977816 1072136455 /nfs/dbraw/zinc/13/64/55/1072136455.db2.gz PFBNACBWGSXFKK-SFHVURJKSA-N 1 0 416.526 -0.446 20 0 HBADRO CC[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000670980029 1072136907 /nfs/dbraw/zinc/13/69/07/1072136907.db2.gz PKPIBFQILBWTAL-GOSISDBHSA-N 1 0 422.551 -0.053 20 0 HBADRO CC[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000670980030 1072136920 /nfs/dbraw/zinc/13/69/20/1072136920.db2.gz PKPIBFQILBWTAL-SFHVURJKSA-N 1 0 422.551 -0.053 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000670981641 1072136889 /nfs/dbraw/zinc/13/68/89/1072136889.db2.gz YCJGXWYDAAYTAJ-HNNXBMFYSA-N 1 0 400.476 -0.448 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000670981642 1072136993 /nfs/dbraw/zinc/13/69/93/1072136993.db2.gz YCJGXWYDAAYTAJ-OAHLLOKOSA-N 1 0 400.476 -0.448 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000670983676 1072137039 /nfs/dbraw/zinc/13/70/39/1072137039.db2.gz GDSRQGBMCGLTDS-UHFFFAOYSA-N 1 0 402.499 -0.323 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000670984292 1072137438 /nfs/dbraw/zinc/13/74/38/1072137438.db2.gz RCCLCHZYSWQBKG-HNNXBMFYSA-N 1 0 414.514 -0.140 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000670984293 1072137538 /nfs/dbraw/zinc/13/75/38/1072137538.db2.gz RCCLCHZYSWQBKG-OAHLLOKOSA-N 1 0 414.514 -0.140 20 0 HBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000670990442 1072137465 /nfs/dbraw/zinc/13/74/65/1072137465.db2.gz BSYMQLFOLGCCOU-UHFFFAOYSA-N 1 0 408.524 -0.345 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000670991097 1072137987 /nfs/dbraw/zinc/13/79/87/1072137987.db2.gz CFWZDFAOCOAMFR-UHFFFAOYSA-N 1 0 408.524 -0.441 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O ZINC000670991696 1072137522 /nfs/dbraw/zinc/13/75/22/1072137522.db2.gz PNNZDJVNENMAIL-DOTOQJQBSA-N 1 0 410.540 -0.359 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O ZINC000670991697 1072137455 /nfs/dbraw/zinc/13/74/55/1072137455.db2.gz PNNZDJVNENMAIL-NVXWUHKLSA-N 1 0 410.540 -0.359 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O ZINC000670991698 1072137483 /nfs/dbraw/zinc/13/74/83/1072137483.db2.gz PNNZDJVNENMAIL-RDJZCZTQSA-N 1 0 410.540 -0.359 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O ZINC000670991699 1072137433 /nfs/dbraw/zinc/13/74/33/1072137433.db2.gz PNNZDJVNENMAIL-WBVHZDCISA-N 1 0 410.540 -0.359 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670991733 1072137486 /nfs/dbraw/zinc/13/74/86/1072137486.db2.gz WYCNETOUDLDRDL-AEFFLSMTSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670991734 1072137476 /nfs/dbraw/zinc/13/74/76/1072137476.db2.gz WYCNETOUDLDRDL-FUHWJXTLSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670991735 1072137424 /nfs/dbraw/zinc/13/74/24/1072137424.db2.gz WYCNETOUDLDRDL-SJLPKXTDSA-N 1 0 401.511 -0.172 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000670991736 1072137461 /nfs/dbraw/zinc/13/74/61/1072137461.db2.gz WYCNETOUDLDRDL-WMZOPIPTSA-N 1 0 401.511 -0.172 20 0 HBADRO CCN1CCN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000670992053 1072138104 /nfs/dbraw/zinc/13/81/04/1072138104.db2.gz WHCBJTMEVAWNHP-GOSISDBHSA-N 1 0 401.511 -0.218 20 0 HBADRO CCN1CCN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000670992054 1072138120 /nfs/dbraw/zinc/13/81/20/1072138120.db2.gz WHCBJTMEVAWNHP-SFHVURJKSA-N 1 0 401.511 -0.218 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CN(C)CCO1 ZINC000670992147 1072138091 /nfs/dbraw/zinc/13/80/91/1072138091.db2.gz ZDMRCQLOUCUXES-DFQSSKMNSA-N 1 0 417.554 -0.073 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000670992148 1072138043 /nfs/dbraw/zinc/13/80/43/1072138043.db2.gz ZDMRCQLOUCUXES-IHPCNDPISA-N 1 0 417.554 -0.073 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000670992149 1072138195 /nfs/dbraw/zinc/13/81/95/1072138195.db2.gz ZDMRCQLOUCUXES-SXLOBPIMSA-N 1 0 417.554 -0.073 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CN(C)CCO1 ZINC000670992150 1072138169 /nfs/dbraw/zinc/13/81/69/1072138169.db2.gz ZDMRCQLOUCUXES-YSIASYRMSA-N 1 0 417.554 -0.073 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000670997244 1072138159 /nfs/dbraw/zinc/13/81/59/1072138159.db2.gz ZYXRJCODCYJRMB-AWEZNQCLSA-N 1 0 406.574 -0.528 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000670997245 1072138063 /nfs/dbraw/zinc/13/80/63/1072138063.db2.gz ZYXRJCODCYJRMB-CQSZACIVSA-N 1 0 406.574 -0.528 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000670999059 1072138669 /nfs/dbraw/zinc/13/86/69/1072138669.db2.gz ZAIWEBKARVRKFS-KRWDZBQOSA-N 1 0 408.524 -0.053 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000670999060 1072138547 /nfs/dbraw/zinc/13/85/47/1072138547.db2.gz ZAIWEBKARVRKFS-QGZVFWFLSA-N 1 0 408.524 -0.053 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000670999284 1072138531 /nfs/dbraw/zinc/13/85/31/1072138531.db2.gz VYYBUFLTXRBSNV-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000670999285 1072138604 /nfs/dbraw/zinc/13/86/04/1072138604.db2.gz VYYBUFLTXRBSNV-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000670999952 1072139174 /nfs/dbraw/zinc/13/91/74/1072139174.db2.gz BOHLSOVPFIEREF-IBGZPJMESA-N 1 0 415.538 0.000 20 0 HBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670999953 1072139261 /nfs/dbraw/zinc/13/92/61/1072139261.db2.gz BOHLSOVPFIEREF-LJQANCHMSA-N 1 0 415.538 0.000 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671016132 1072143848 /nfs/dbraw/zinc/14/38/48/1072143848.db2.gz AYFWGZQYDWBSDI-GOSISDBHSA-N 1 0 401.511 -0.099 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671016135 1072143823 /nfs/dbraw/zinc/14/38/23/1072143823.db2.gz AYFWGZQYDWBSDI-SFHVURJKSA-N 1 0 401.511 -0.099 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000671016175 1072143635 /nfs/dbraw/zinc/14/36/35/1072143635.db2.gz NXQNNAOXCPJOOV-KRWDZBQOSA-N 1 0 401.511 -0.053 20 0 HBADRO CNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000671016176 1072143715 /nfs/dbraw/zinc/14/37/15/1072143715.db2.gz NXQNNAOXCPJOOV-QGZVFWFLSA-N 1 0 401.511 -0.053 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000671018802 1072143857 /nfs/dbraw/zinc/14/38/57/1072143857.db2.gz WDLSGGYMKZCNHX-MSOLQXFVSA-N 1 0 417.510 -0.806 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000671018803 1072143747 /nfs/dbraw/zinc/14/37/47/1072143747.db2.gz WDLSGGYMKZCNHX-QZTJIDSGSA-N 1 0 417.510 -0.806 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[C@H](c2ccccc2)C1 ZINC000671018804 1072144355 /nfs/dbraw/zinc/14/43/55/1072144355.db2.gz WDLSGGYMKZCNHX-ROUUACIJSA-N 1 0 417.510 -0.806 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[C@H](c2ccccc2)C1 ZINC000671018805 1072144260 /nfs/dbraw/zinc/14/42/60/1072144260.db2.gz WDLSGGYMKZCNHX-ZWKOTPCHSA-N 1 0 417.510 -0.806 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000671019145 1072145690 /nfs/dbraw/zinc/14/56/90/1072145690.db2.gz DJJCKHFYJFBIAW-INIZCTEOSA-N 1 0 410.540 -0.136 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000671019148 1072145758 /nfs/dbraw/zinc/14/57/58/1072145758.db2.gz DJJCKHFYJFBIAW-MRXNPFEDSA-N 1 0 410.540 -0.136 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000671020039 1072145657 /nfs/dbraw/zinc/14/56/57/1072145657.db2.gz PLPQTLCJFBYRRU-UHFFFAOYSA-N 1 0 417.491 -0.045 20 0 HBADRO COc1cc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)ncn1 ZINC000671031941 1072151002 /nfs/dbraw/zinc/15/10/02/1072151002.db2.gz CTTGIWKQUXLNNX-UHFFFAOYSA-N 1 0 406.487 -0.638 20 0 HBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000671032158 1072152163 /nfs/dbraw/zinc/15/21/63/1072152163.db2.gz LYGIQPMKJZXQNK-UHFFFAOYSA-N 1 0 412.512 -0.690 20 0 HBADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032251 1072152155 /nfs/dbraw/zinc/15/21/55/1072152155.db2.gz QFRKGTVUKGDAGK-INIZCTEOSA-N 1 0 417.510 -0.291 20 0 HBADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032252 1072152107 /nfs/dbraw/zinc/15/21/07/1072152107.db2.gz QFRKGTVUKGDAGK-MRXNPFEDSA-N 1 0 417.510 -0.291 20 0 HBADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000671032495 1072151624 /nfs/dbraw/zinc/15/16/24/1072151624.db2.gz MHDWOLNFVVTIEX-INIZCTEOSA-N 1 0 420.518 -0.885 20 0 HBADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000671032496 1072151574 /nfs/dbraw/zinc/15/15/74/1072151574.db2.gz MHDWOLNFVVTIEX-MRXNPFEDSA-N 1 0 420.518 -0.885 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000671032970 1072152128 /nfs/dbraw/zinc/15/21/28/1072152128.db2.gz VCIWXJXYFZTERX-AWEZNQCLSA-N 1 0 421.464 -0.200 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000671032971 1072152236 /nfs/dbraw/zinc/15/22/36/1072152236.db2.gz VCIWXJXYFZTERX-CQSZACIVSA-N 1 0 421.464 -0.200 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000671033209 1072152673 /nfs/dbraw/zinc/15/26/73/1072152673.db2.gz SJDVPXOLACTAON-UHFFFAOYSA-N 1 0 410.540 -0.280 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671033263 1072152533 /nfs/dbraw/zinc/15/25/33/1072152533.db2.gz DNXYJAHDCHQBOX-UHFFFAOYSA-N 1 0 410.563 -0.218 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000671033320 1072152498 /nfs/dbraw/zinc/15/24/98/1072152498.db2.gz SBSCRCSGMCLWQA-UHFFFAOYSA-N 1 0 403.531 -0.423 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000671034350 1072152206 /nfs/dbraw/zinc/15/22/06/1072152206.db2.gz IYLZMMNRXKINFU-IBGZPJMESA-N 1 0 409.575 -0.157 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000671034355 1072152145 /nfs/dbraw/zinc/15/21/45/1072152145.db2.gz IYLZMMNRXKINFU-LJQANCHMSA-N 1 0 409.575 -0.157 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000671034859 1072152488 /nfs/dbraw/zinc/15/24/88/1072152488.db2.gz WUVTUTQTAZWZGJ-UHFFFAOYSA-N 1 0 419.574 -0.402 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000671036348 1072153269 /nfs/dbraw/zinc/15/32/69/1072153269.db2.gz OHZOTQOLBOOEKK-UHFFFAOYSA-N 1 0 424.590 -0.811 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000671036383 1072153180 /nfs/dbraw/zinc/15/31/80/1072153180.db2.gz ZCDQFUNTJOTQBP-UHFFFAOYSA-N 1 0 417.558 -0.032 20 0 HBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000671039170 1072153909 /nfs/dbraw/zinc/15/39/09/1072153909.db2.gz WNRRLASMMJFKKE-GASCZTMLSA-N 1 0 402.561 -0.132 20 0 HBADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000671039171 1072153833 /nfs/dbraw/zinc/15/38/33/1072153833.db2.gz WNRRLASMMJFKKE-GJZGRUSLSA-N 1 0 402.561 -0.132 20 0 HBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000671039172 1072153857 /nfs/dbraw/zinc/15/38/57/1072153857.db2.gz WNRRLASMMJFKKE-HUUCEWRRSA-N 1 0 402.561 -0.132 20 0 HBADRO COCCOc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000671039799 1072153821 /nfs/dbraw/zinc/15/38/21/1072153821.db2.gz LGKODNAAWJPLEI-GOSISDBHSA-N 1 0 419.526 -0.039 20 0 HBADRO COCCOc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000671039800 1072153980 /nfs/dbraw/zinc/15/39/80/1072153980.db2.gz LGKODNAAWJPLEI-SFHVURJKSA-N 1 0 419.526 -0.039 20 0 HBADRO COCCOc1ncccc1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671040327 1072154514 /nfs/dbraw/zinc/15/45/14/1072154514.db2.gz LOMZYQFZEBCNQI-GOSISDBHSA-N 1 0 419.526 -0.039 20 0 HBADRO COCCOc1ncccc1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671040328 1072154399 /nfs/dbraw/zinc/15/43/99/1072154399.db2.gz LOMZYQFZEBCNQI-SFHVURJKSA-N 1 0 419.526 -0.039 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000671059808 1072156670 /nfs/dbraw/zinc/15/66/70/1072156670.db2.gz GEBKNSMVLWWBIU-DLBZAZTESA-N 1 0 403.531 -0.296 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000671059809 1072156586 /nfs/dbraw/zinc/15/65/86/1072156586.db2.gz GEBKNSMVLWWBIU-IAGOWNOFSA-N 1 0 403.531 -0.296 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000671059811 1072156641 /nfs/dbraw/zinc/15/66/41/1072156641.db2.gz GEBKNSMVLWWBIU-IRXDYDNUSA-N 1 0 403.531 -0.296 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000671059812 1072156752 /nfs/dbraw/zinc/15/67/52/1072156752.db2.gz GEBKNSMVLWWBIU-SJORKVTESA-N 1 0 403.531 -0.296 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671062575 1072158253 /nfs/dbraw/zinc/15/82/53/1072158253.db2.gz RUEQEVLSIJISCY-UHFFFAOYSA-N 1 0 416.526 -0.163 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1OCC(=O)NC ZINC000671063986 1072158931 /nfs/dbraw/zinc/15/89/31/1072158931.db2.gz OJWRXRCZLBNXJY-DOTOQJQBSA-N 1 0 419.526 -0.259 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1OCC(=O)NC ZINC000671063987 1072158962 /nfs/dbraw/zinc/15/89/62/1072158962.db2.gz OJWRXRCZLBNXJY-NVXWUHKLSA-N 1 0 419.526 -0.259 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1OCC(=O)NC ZINC000671063989 1072158940 /nfs/dbraw/zinc/15/89/40/1072158940.db2.gz OJWRXRCZLBNXJY-RDJZCZTQSA-N 1 0 419.526 -0.259 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1OCC(=O)NC ZINC000671063991 1072158895 /nfs/dbraw/zinc/15/88/95/1072158895.db2.gz OJWRXRCZLBNXJY-WBVHZDCISA-N 1 0 419.526 -0.259 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000671071800 1072163406 /nfs/dbraw/zinc/16/34/06/1072163406.db2.gz PAHRHRURTMBRQN-GOSISDBHSA-N 1 0 400.545 -0.459 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000671071802 1072163349 /nfs/dbraw/zinc/16/33/49/1072163349.db2.gz PAHRHRURTMBRQN-SFHVURJKSA-N 1 0 400.545 -0.459 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000671091745 1072166774 /nfs/dbraw/zinc/16/67/74/1072166774.db2.gz SCMLOARFUKXHED-UHFFFAOYSA-N 1 0 419.570 -0.010 20 0 HBADRO Cn1nccc1CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000671098594 1072167467 /nfs/dbraw/zinc/16/74/67/1072167467.db2.gz BPJBFYQOVGFKJD-UHFFFAOYSA-N 1 0 406.531 -0.021 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)no1 ZINC000671099562 1069078455 /nfs/dbraw/zinc/07/84/55/1069078455.db2.gz GRTRWSNVMXWSEF-CVEARBPZSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)no1 ZINC000671099564 1069079409 /nfs/dbraw/zinc/07/94/09/1069079409.db2.gz GRTRWSNVMXWSEF-HOTGVXAUSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)no1 ZINC000671099566 1069079219 /nfs/dbraw/zinc/07/92/19/1069079219.db2.gz GRTRWSNVMXWSEF-HZPDHXFCSA-N 1 0 418.498 -0.191 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)no1 ZINC000671099567 1072168029 /nfs/dbraw/zinc/16/80/29/1072168029.db2.gz GRTRWSNVMXWSEF-JKSUJKDBSA-N 1 0 418.498 -0.191 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100123 1072168245 /nfs/dbraw/zinc/16/82/45/1072168245.db2.gz KOWOEOOLFJUCMB-KBPBESRZSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100124 1072168280 /nfs/dbraw/zinc/16/82/80/1072168280.db2.gz KOWOEOOLFJUCMB-KGLIPLIRSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100125 1072168139 /nfs/dbraw/zinc/16/81/39/1072168139.db2.gz KOWOEOOLFJUCMB-UONOGXRCSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100126 1072168078 /nfs/dbraw/zinc/16/80/78/1072168078.db2.gz KOWOEOOLFJUCMB-ZIAGYGMSSA-N 1 0 404.558 -0.776 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)N1CCCCC1 ZINC000671100805 1072168221 /nfs/dbraw/zinc/16/82/21/1072168221.db2.gz KWQCHYPPMKUKNZ-MSOLQXFVSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)N1CCCCC1 ZINC000671100810 1072168122 /nfs/dbraw/zinc/16/81/22/1072168122.db2.gz KWQCHYPPMKUKNZ-QZTJIDSGSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)N1CCCCC1 ZINC000671100813 1072168178 /nfs/dbraw/zinc/16/81/78/1072168178.db2.gz KWQCHYPPMKUKNZ-ROUUACIJSA-N 1 0 405.543 -0.114 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)N1CCCCC1 ZINC000671100815 1072168991 /nfs/dbraw/zinc/16/89/91/1072168991.db2.gz KWQCHYPPMKUKNZ-ZWKOTPCHSA-N 1 0 405.543 -0.114 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671100838 1072168160 /nfs/dbraw/zinc/16/81/60/1072168160.db2.gz LJMKBZJBFVEHHJ-CABCVRRESA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671100841 1072168056 /nfs/dbraw/zinc/16/80/56/1072168056.db2.gz LJMKBZJBFVEHHJ-GJZGRUSLSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671100844 1072168236 /nfs/dbraw/zinc/16/82/36/1072168236.db2.gz LJMKBZJBFVEHHJ-HUUCEWRRSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671100846 1072168095 /nfs/dbraw/zinc/16/80/95/1072168095.db2.gz LJMKBZJBFVEHHJ-LSDHHAIUSA-N 1 0 400.483 -0.428 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1nccn2cnnc12 ZINC000671102192 1072168941 /nfs/dbraw/zinc/16/89/41/1072168941.db2.gz OBYSFLJXGFRQGB-BZUAXINKSA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1nccn2cnnc12 ZINC000671102194 1072168773 /nfs/dbraw/zinc/16/87/73/1072168773.db2.gz OBYSFLJXGFRQGB-OAGGEKHMSA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1nccn2cnnc12 ZINC000671102196 1072168971 /nfs/dbraw/zinc/16/89/71/1072168971.db2.gz OBYSFLJXGFRQGB-OWCLPIDISA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1nccn2cnnc12 ZINC000671102197 1072168828 /nfs/dbraw/zinc/16/88/28/1072168828.db2.gz OBYSFLJXGFRQGB-PMPSAXMXSA-N 1 0 412.498 -0.096 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104148 1072168814 /nfs/dbraw/zinc/16/88/14/1072168814.db2.gz LULPBSQNGZWDSN-FGTMMUONSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104161 1072168909 /nfs/dbraw/zinc/16/89/09/1072168909.db2.gz LULPBSQNGZWDSN-KURKYZTESA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104162 1072168978 /nfs/dbraw/zinc/16/89/78/1072168978.db2.gz LULPBSQNGZWDSN-KZNAEPCWSA-N 1 0 405.543 -0.116 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104163 1072168795 /nfs/dbraw/zinc/16/87/95/1072168795.db2.gz LULPBSQNGZWDSN-SQNIBIBYSA-N 1 0 405.543 -0.116 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000671105609 1072169457 /nfs/dbraw/zinc/16/94/57/1072169457.db2.gz NBZXBVSUSZCCTH-CVEARBPZSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000671105612 1072169672 /nfs/dbraw/zinc/16/96/72/1072169672.db2.gz NBZXBVSUSZCCTH-HOTGVXAUSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000671105613 1072169357 /nfs/dbraw/zinc/16/93/57/1072169357.db2.gz NBZXBVSUSZCCTH-HZPDHXFCSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000671105614 1072169441 /nfs/dbraw/zinc/16/94/41/1072169441.db2.gz NBZXBVSUSZCCTH-JKSUJKDBSA-N 1 0 400.483 -0.428 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105871 1072169515 /nfs/dbraw/zinc/16/95/15/1072169515.db2.gz VODXYYXFKZMRGV-BZSNNMDCSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105872 1072169423 /nfs/dbraw/zinc/16/94/23/1072169423.db2.gz VODXYYXFKZMRGV-KSZLIROESA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105873 1072169577 /nfs/dbraw/zinc/16/95/77/1072169577.db2.gz VODXYYXFKZMRGV-OKZBNKHCSA-N 1 0 423.558 -0.585 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105874 1072169681 /nfs/dbraw/zinc/16/96/81/1072169681.db2.gz VODXYYXFKZMRGV-RCCFBDPRSA-N 1 0 423.558 -0.585 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106063 1072169611 /nfs/dbraw/zinc/16/96/11/1072169611.db2.gz YBXXTHAMVLVYHA-CABCVRRESA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106064 1072169631 /nfs/dbraw/zinc/16/96/31/1072169631.db2.gz YBXXTHAMVLVYHA-GJZGRUSLSA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106065 1072169383 /nfs/dbraw/zinc/16/93/83/1072169383.db2.gz YBXXTHAMVLVYHA-HUUCEWRRSA-N 1 0 412.498 -0.245 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106066 1072169470 /nfs/dbraw/zinc/16/94/70/1072169470.db2.gz YBXXTHAMVLVYHA-LSDHHAIUSA-N 1 0 412.498 -0.245 20 0 HBADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000671117759 1072171667 /nfs/dbraw/zinc/17/16/67/1072171667.db2.gz DOYMDCLRDKRYKJ-CVEARBPZSA-N 1 0 409.574 -0.027 20 0 HBADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000671117760 1072171596 /nfs/dbraw/zinc/17/15/96/1072171596.db2.gz DOYMDCLRDKRYKJ-HOTGVXAUSA-N 1 0 409.574 -0.027 20 0 HBADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000671117761 1072171675 /nfs/dbraw/zinc/17/16/75/1072171675.db2.gz DOYMDCLRDKRYKJ-HZPDHXFCSA-N 1 0 409.574 -0.027 20 0 HBADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000671117762 1072171648 /nfs/dbraw/zinc/17/16/48/1072171648.db2.gz DOYMDCLRDKRYKJ-JKSUJKDBSA-N 1 0 409.574 -0.027 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)C2)CC1 ZINC000671119828 1072171547 /nfs/dbraw/zinc/17/15/47/1072171547.db2.gz GVBZKLCLHNODRR-INIZCTEOSA-N 1 0 422.551 -0.139 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)C2)CC1 ZINC000671119830 1072171644 /nfs/dbraw/zinc/17/16/44/1072171644.db2.gz GVBZKLCLHNODRR-MRXNPFEDSA-N 1 0 422.551 -0.139 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000671119831 1072171577 /nfs/dbraw/zinc/17/15/77/1072171577.db2.gz GYSVYADAGUBNFG-KRWDZBQOSA-N 1 0 422.551 -0.185 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000671119833 1069158292 /nfs/dbraw/zinc/15/82/92/1069158292.db2.gz GYSVYADAGUBNFG-QGZVFWFLSA-N 1 0 422.551 -0.185 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123218 1072172362 /nfs/dbraw/zinc/17/23/62/1072172362.db2.gz ZZJQMYSVHHSGFZ-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123219 1072172108 /nfs/dbraw/zinc/17/21/08/1072172108.db2.gz ZZJQMYSVHHSGFZ-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671133423 1072172920 /nfs/dbraw/zinc/17/29/20/1072172920.db2.gz ACTCUYBBBHDZTL-HNNXBMFYSA-N 1 0 417.576 -0.941 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671133428 1072173088 /nfs/dbraw/zinc/17/30/88/1072173088.db2.gz ACTCUYBBBHDZTL-OAHLLOKOSA-N 1 0 417.576 -0.941 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671133487 1072173570 /nfs/dbraw/zinc/17/35/70/1072173570.db2.gz FNJATZHFBCXYRC-INIZCTEOSA-N 1 0 417.576 -0.987 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671133490 1072173619 /nfs/dbraw/zinc/17/36/19/1072173619.db2.gz FNJATZHFBCXYRC-MRXNPFEDSA-N 1 0 417.576 -0.987 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671147120 1072178315 /nfs/dbraw/zinc/17/83/15/1072178315.db2.gz COHLLDZECIGONY-KRWDZBQOSA-N 1 0 408.524 -0.225 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671147121 1072178066 /nfs/dbraw/zinc/17/80/66/1072178066.db2.gz COHLLDZECIGONY-QGZVFWFLSA-N 1 0 408.524 -0.225 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000671149757 1072178282 /nfs/dbraw/zinc/17/82/82/1072178282.db2.gz PQVWTVZZZWCGMW-UHFFFAOYSA-N 1 0 418.585 -0.528 20 0 HBADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671171370 1072181586 /nfs/dbraw/zinc/18/15/86/1072181586.db2.gz JDHNPOCTQNWFQQ-MSOLQXFVSA-N 1 0 409.575 -0.003 20 0 HBADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671171371 1072181484 /nfs/dbraw/zinc/18/14/84/1072181484.db2.gz JDHNPOCTQNWFQQ-QZTJIDSGSA-N 1 0 409.575 -0.003 20 0 HBADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671171372 1072181418 /nfs/dbraw/zinc/18/14/18/1072181418.db2.gz JDHNPOCTQNWFQQ-ROUUACIJSA-N 1 0 409.575 -0.003 20 0 HBADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671171373 1072181508 /nfs/dbraw/zinc/18/15/08/1072181508.db2.gz JDHNPOCTQNWFQQ-ZWKOTPCHSA-N 1 0 409.575 -0.003 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)N1CCOCC1 ZINC000671171386 1072181465 /nfs/dbraw/zinc/18/14/65/1072181465.db2.gz LEINVAKUHMUOSZ-MOPGFXCFSA-N 1 0 411.591 -0.151 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CCOCC1 ZINC000671171387 1072181623 /nfs/dbraw/zinc/18/16/23/1072181623.db2.gz LEINVAKUHMUOSZ-OALUTQOASA-N 1 0 411.591 -0.151 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CCOCC1 ZINC000671171388 1072181315 /nfs/dbraw/zinc/18/13/15/1072181315.db2.gz LEINVAKUHMUOSZ-RBUKOAKNSA-N 1 0 411.591 -0.151 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)N1CCOCC1 ZINC000671171389 1072181562 /nfs/dbraw/zinc/18/15/62/1072181562.db2.gz LEINVAKUHMUOSZ-RTBURBONSA-N 1 0 411.591 -0.151 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000671171785 1072180775 /nfs/dbraw/zinc/18/07/75/1072180775.db2.gz HORHDOBLFRUFLD-KRWDZBQOSA-N 1 0 401.511 -0.139 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000671171786 1072180847 /nfs/dbraw/zinc/18/08/47/1072180847.db2.gz HORHDOBLFRUFLD-QGZVFWFLSA-N 1 0 401.511 -0.139 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000671171877 1072181612 /nfs/dbraw/zinc/18/16/12/1072181612.db2.gz XCILDIFTACZWHA-INIZCTEOSA-N 1 0 410.563 -0.362 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000671171878 1072181296 /nfs/dbraw/zinc/18/12/96/1072181296.db2.gz XCILDIFTACZWHA-MRXNPFEDSA-N 1 0 410.563 -0.362 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000671171997 1072180868 /nfs/dbraw/zinc/18/08/68/1072180868.db2.gz XKDBVYLWPGMGDV-INIZCTEOSA-N 1 0 403.531 -0.567 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000671171998 1072180924 /nfs/dbraw/zinc/18/09/24/1072180924.db2.gz XKDBVYLWPGMGDV-MRXNPFEDSA-N 1 0 403.531 -0.567 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000671172334 1072182112 /nfs/dbraw/zinc/18/21/12/1072182112.db2.gz YVRXFYFTZGEJLC-AEFFLSMTSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000671172339 1072182043 /nfs/dbraw/zinc/18/20/43/1072182043.db2.gz YVRXFYFTZGEJLC-FUHWJXTLSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000671172340 1072182163 /nfs/dbraw/zinc/18/21/63/1072182163.db2.gz YVRXFYFTZGEJLC-SJLPKXTDSA-N 1 0 407.559 -0.107 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000671172342 1072182194 /nfs/dbraw/zinc/18/21/94/1072182194.db2.gz YVRXFYFTZGEJLC-WMZOPIPTSA-N 1 0 407.559 -0.107 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000671172788 1072181574 /nfs/dbraw/zinc/18/15/74/1072181574.db2.gz AHYSDGZHIPIRCM-MOPGFXCFSA-N 1 0 409.575 -0.301 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000671172790 1072182059 /nfs/dbraw/zinc/18/20/59/1072182059.db2.gz AHYSDGZHIPIRCM-OALUTQOASA-N 1 0 409.575 -0.301 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000671172792 1072182259 /nfs/dbraw/zinc/18/22/59/1072182259.db2.gz AHYSDGZHIPIRCM-RBUKOAKNSA-N 1 0 409.575 -0.301 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000671172794 1072182155 /nfs/dbraw/zinc/18/21/55/1072182155.db2.gz AHYSDGZHIPIRCM-RTBURBONSA-N 1 0 409.575 -0.301 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000671173522 1072182809 /nfs/dbraw/zinc/18/28/09/1072182809.db2.gz ZLBHQYXHERAMKB-KRWDZBQOSA-N 1 0 417.558 -0.177 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000671173523 1072182725 /nfs/dbraw/zinc/18/27/25/1072182725.db2.gz ZLBHQYXHERAMKB-QGZVFWFLSA-N 1 0 417.558 -0.177 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000671173726 1072182799 /nfs/dbraw/zinc/18/27/99/1072182799.db2.gz QJLLZVNYTNWITK-AWEZNQCLSA-N 1 0 424.575 -0.841 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000671173727 1072182707 /nfs/dbraw/zinc/18/27/07/1072182707.db2.gz QJLLZVNYTNWITK-CQSZACIVSA-N 1 0 424.575 -0.841 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000671178832 1072183408 /nfs/dbraw/zinc/18/34/08/1072183408.db2.gz AGPPTFRNUJRMNW-MSOLQXFVSA-N 1 0 415.542 -0.200 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000671178835 1072183439 /nfs/dbraw/zinc/18/34/39/1072183439.db2.gz AGPPTFRNUJRMNW-QZTJIDSGSA-N 1 0 415.542 -0.200 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000671178836 1072183489 /nfs/dbraw/zinc/18/34/89/1072183489.db2.gz AGPPTFRNUJRMNW-ROUUACIJSA-N 1 0 415.542 -0.200 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000671178837 1072183528 /nfs/dbraw/zinc/18/35/28/1072183528.db2.gz AGPPTFRNUJRMNW-ZWKOTPCHSA-N 1 0 415.542 -0.200 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178895 1072183502 /nfs/dbraw/zinc/18/35/02/1072183502.db2.gz JKGDWQQYSCXRFE-DLBZAZTESA-N 1 0 415.542 -0.154 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178896 1072183520 /nfs/dbraw/zinc/18/35/20/1072183520.db2.gz JKGDWQQYSCXRFE-IAGOWNOFSA-N 1 0 415.542 -0.154 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178897 1072183477 /nfs/dbraw/zinc/18/34/77/1072183477.db2.gz JKGDWQQYSCXRFE-IRXDYDNUSA-N 1 0 415.542 -0.154 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178898 1072183509 /nfs/dbraw/zinc/18/35/09/1072183509.db2.gz JKGDWQQYSCXRFE-SJORKVTESA-N 1 0 415.542 -0.154 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671180570 1072183450 /nfs/dbraw/zinc/18/34/50/1072183450.db2.gz FEVCFMUNMCVFBJ-CVEARBPZSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671180571 1072183497 /nfs/dbraw/zinc/18/34/97/1072183497.db2.gz FEVCFMUNMCVFBJ-HOTGVXAUSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671180572 1072183517 /nfs/dbraw/zinc/18/35/17/1072183517.db2.gz FEVCFMUNMCVFBJ-HZPDHXFCSA-N 1 0 400.483 -0.428 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671180573 1072183494 /nfs/dbraw/zinc/18/34/94/1072183494.db2.gz FEVCFMUNMCVFBJ-JKSUJKDBSA-N 1 0 400.483 -0.428 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000671258477 1072192031 /nfs/dbraw/zinc/19/20/31/1072192031.db2.gz PGPNKFPWIALBCE-UHFFFAOYSA-N 1 0 424.461 -0.074 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000671260090 1072191985 /nfs/dbraw/zinc/19/19/85/1072191985.db2.gz HKDLLXASZBFDAI-INIZCTEOSA-N 1 0 401.467 -0.217 20 0 HBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000671260091 1072192022 /nfs/dbraw/zinc/19/20/22/1072192022.db2.gz HKDLLXASZBFDAI-MRXNPFEDSA-N 1 0 401.467 -0.217 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCCC[C@H]2CCO)cn1 ZINC000671271872 1072197836 /nfs/dbraw/zinc/19/78/36/1072197836.db2.gz OJOAYCLBZMABTF-INIZCTEOSA-N 1 0 408.503 -0.347 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCCC[C@@H]2CCO)cn1 ZINC000671271879 1072197918 /nfs/dbraw/zinc/19/79/18/1072197918.db2.gz OJOAYCLBZMABTF-MRXNPFEDSA-N 1 0 408.503 -0.347 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC3(CCOCC3)CC2)cn1 ZINC000671274692 1072197881 /nfs/dbraw/zinc/19/78/81/1072197881.db2.gz OAWPXUQOCAFVOJ-UHFFFAOYSA-N 1 0 420.514 -0.081 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCOC3)cn1 ZINC000671275972 1072197756 /nfs/dbraw/zinc/19/77/56/1072197756.db2.gz QIWIKIQBFJPHQK-IBGZPJMESA-N 1 0 406.487 -0.472 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)cn1 ZINC000671275973 1072197875 /nfs/dbraw/zinc/19/78/75/1072197875.db2.gz QIWIKIQBFJPHQK-LJQANCHMSA-N 1 0 406.487 -0.472 20 0 HBADRO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000671288792 1072199753 /nfs/dbraw/zinc/19/97/53/1072199753.db2.gz VLOUSAXMNJYJFD-UHFFFAOYSA-N 1 0 419.482 -0.508 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671308053 1072205963 /nfs/dbraw/zinc/20/59/63/1072205963.db2.gz DENLUHWJCNHAKP-INIZCTEOSA-N 1 0 404.515 -0.026 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000671308056 1072205813 /nfs/dbraw/zinc/20/58/13/1072205813.db2.gz DENLUHWJCNHAKP-MRXNPFEDSA-N 1 0 404.515 -0.026 20 0 HBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671308089 1072205852 /nfs/dbraw/zinc/20/58/52/1072205852.db2.gz KFTDJLSGCPRNFA-UHFFFAOYSA-N 1 0 413.482 -0.369 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343673 1072214149 /nfs/dbraw/zinc/21/41/49/1072214149.db2.gz LNBDUTMGSXKJBY-KRWDZBQOSA-N 1 0 410.540 -0.231 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343674 1072214108 /nfs/dbraw/zinc/21/41/08/1072214108.db2.gz LNBDUTMGSXKJBY-QGZVFWFLSA-N 1 0 410.540 -0.231 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000671350163 1072214261 /nfs/dbraw/zinc/21/42/61/1072214261.db2.gz UQTJNWRBUOLOAC-UHFFFAOYSA-N 1 0 423.558 -0.632 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356322 1072217621 /nfs/dbraw/zinc/21/76/21/1072217621.db2.gz FJBSAADQTJPIJJ-HOTGVXAUSA-N 1 0 417.576 -0.941 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356324 1072217763 /nfs/dbraw/zinc/21/77/63/1072217763.db2.gz FJBSAADQTJPIJJ-HZPDHXFCSA-N 1 0 417.576 -0.941 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356325 1072217699 /nfs/dbraw/zinc/21/76/99/1072217699.db2.gz FJBSAADQTJPIJJ-IYBDPMFKSA-N 1 0 417.576 -0.941 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356571 1072217722 /nfs/dbraw/zinc/21/77/22/1072217722.db2.gz KVEWNQBCLBRWEM-INIZCTEOSA-N 1 0 417.576 -0.940 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356572 1072217637 /nfs/dbraw/zinc/21/76/37/1072217637.db2.gz KVEWNQBCLBRWEM-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CC(C)[NH+](CCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000671357393 1068967132 /nfs/dbraw/zinc/96/71/32/1068967132.db2.gz INWYJYOGRVNWCC-UHFFFAOYSA-N 1 0 419.592 -0.695 20 0 HBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671357897 1069146497 /nfs/dbraw/zinc/14/64/97/1069146497.db2.gz FOWJYDZIVWLBTH-UHFFFAOYSA-N 1 0 417.576 -0.987 20 0 HBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671358146 1072218205 /nfs/dbraw/zinc/21/82/05/1072218205.db2.gz KAIYROMFIJIFDN-INIZCTEOSA-N 1 0 417.576 -0.987 20 0 HBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671358147 1072218251 /nfs/dbraw/zinc/21/82/51/1072218251.db2.gz KAIYROMFIJIFDN-MRXNPFEDSA-N 1 0 417.576 -0.987 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000671358557 1068967584 /nfs/dbraw/zinc/96/75/84/1068967584.db2.gz RGLFURFOUIEHLJ-CVEARBPZSA-N 1 0 417.576 -0.989 20 0 HBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000671358559 1068967618 /nfs/dbraw/zinc/96/76/18/1068967618.db2.gz RGLFURFOUIEHLJ-HOTGVXAUSA-N 1 0 417.576 -0.989 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000671358587 1068967511 /nfs/dbraw/zinc/96/75/11/1068967511.db2.gz RGLFURFOUIEHLJ-HZPDHXFCSA-N 1 0 417.576 -0.989 20 0 HBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000671358588 1068967648 /nfs/dbraw/zinc/96/76/48/1068967648.db2.gz RGLFURFOUIEHLJ-JKSUJKDBSA-N 1 0 417.576 -0.989 20 0 HBADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671358595 1069151737 /nfs/dbraw/zinc/15/17/37/1069151737.db2.gz RKIKYRQADQVMMI-UHFFFAOYSA-N 1 0 417.576 -0.940 20 0 HBADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671358840 1068965968 /nfs/dbraw/zinc/96/59/68/1068965968.db2.gz ZECOWHFPCPQCMF-UHFFFAOYSA-N 1 0 417.576 -0.987 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000671358861 1068964911 /nfs/dbraw/zinc/96/49/11/1068964911.db2.gz ZWMXXJFRPRQCHC-HNNXBMFYSA-N 1 0 419.592 -0.838 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000671358862 1068965449 /nfs/dbraw/zinc/96/54/49/1068965449.db2.gz ZWMXXJFRPRQCHC-OAHLLOKOSA-N 1 0 419.592 -0.838 20 0 HBADRO C[C@@H](CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000671359205 1068965485 /nfs/dbraw/zinc/96/54/85/1068965485.db2.gz MROQVFXWTNRQJC-INIZCTEOSA-N 1 0 417.576 -0.940 20 0 HBADRO C[C@H](CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000671359206 1068965438 /nfs/dbraw/zinc/96/54/38/1068965438.db2.gz MROQVFXWTNRQJC-MRXNPFEDSA-N 1 0 417.576 -0.940 20 0 HBADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359605 1068969147 /nfs/dbraw/zinc/96/91/47/1068969147.db2.gz VXENMASFIHIIBI-UHFFFAOYSA-N 1 0 417.576 -0.986 20 0 HBADRO CCN(CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362451 1068970311 /nfs/dbraw/zinc/97/03/11/1068970311.db2.gz BIXZAWNWOZJIEQ-HNNXBMFYSA-N 1 0 417.576 -0.941 20 0 HBADRO CCN(CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362452 1069170707 /nfs/dbraw/zinc/17/07/07/1069170707.db2.gz BIXZAWNWOZJIEQ-OAHLLOKOSA-N 1 0 417.576 -0.941 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC000671362541 1068970237 /nfs/dbraw/zinc/97/02/37/1068970237.db2.gz SDXIVIZJVBPPRL-INIZCTEOSA-N 1 0 417.576 -0.987 20 0 HBADRO CCN(CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC000671362542 1068970377 /nfs/dbraw/zinc/97/03/77/1068970377.db2.gz SDXIVIZJVBPPRL-MRXNPFEDSA-N 1 0 417.576 -0.987 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671374304 1068973982 /nfs/dbraw/zinc/97/39/82/1068973982.db2.gz ZRDDSGADVBESTR-INIZCTEOSA-N 1 0 417.510 -0.293 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671374305 1068973786 /nfs/dbraw/zinc/97/37/86/1068973786.db2.gz ZRDDSGADVBESTR-MRXNPFEDSA-N 1 0 417.510 -0.293 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671384711 1068974537 /nfs/dbraw/zinc/97/45/37/1068974537.db2.gz JRNOFZUBTDSQNZ-DLBZAZTESA-N 1 0 408.524 -0.096 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671384714 1068974892 /nfs/dbraw/zinc/97/48/92/1068974892.db2.gz JRNOFZUBTDSQNZ-IAGOWNOFSA-N 1 0 408.524 -0.096 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671384716 1068974461 /nfs/dbraw/zinc/97/44/61/1068974461.db2.gz JRNOFZUBTDSQNZ-IRXDYDNUSA-N 1 0 408.524 -0.096 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671384718 1068974725 /nfs/dbraw/zinc/97/47/25/1068974725.db2.gz JRNOFZUBTDSQNZ-SJORKVTESA-N 1 0 408.524 -0.096 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000671387013 1068974618 /nfs/dbraw/zinc/97/46/18/1068974618.db2.gz VLNMLKQEUKNPKJ-MSOLQXFVSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000671387015 1068974846 /nfs/dbraw/zinc/97/48/46/1068974846.db2.gz VLNMLKQEUKNPKJ-QZTJIDSGSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000671387016 1068974757 /nfs/dbraw/zinc/97/47/57/1068974757.db2.gz VLNMLKQEUKNPKJ-ROUUACIJSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000671387017 1068974498 /nfs/dbraw/zinc/97/44/98/1068974498.db2.gz VLNMLKQEUKNPKJ-ZWKOTPCHSA-N 1 0 402.495 -0.012 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)C1 ZINC000671389899 1068975629 /nfs/dbraw/zinc/97/56/29/1068975629.db2.gz FVJDRMYHZNPMFA-KRWDZBQOSA-N 1 0 417.510 -0.595 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)C1 ZINC000671389900 1068975533 /nfs/dbraw/zinc/97/55/33/1068975533.db2.gz FVJDRMYHZNPMFA-QGZVFWFLSA-N 1 0 417.510 -0.595 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389914 1068975549 /nfs/dbraw/zinc/97/55/49/1068975549.db2.gz KKLFUPYTZCAEOX-INIZCTEOSA-N 1 0 417.510 -0.548 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389915 1068975260 /nfs/dbraw/zinc/97/52/60/1068975260.db2.gz KKLFUPYTZCAEOX-MRXNPFEDSA-N 1 0 417.510 -0.548 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671396112 1068976439 /nfs/dbraw/zinc/97/64/39/1068976439.db2.gz DLCRMIATYPBTJB-IBGZPJMESA-N 1 0 413.522 -0.117 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671396113 1068976352 /nfs/dbraw/zinc/97/63/52/1068976352.db2.gz DLCRMIATYPBTJB-LJQANCHMSA-N 1 0 413.522 -0.117 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671397732 1068977744 /nfs/dbraw/zinc/97/77/44/1068977744.db2.gz WHNLYQVHLIQQFW-UHFFFAOYSA-N 1 0 413.522 -0.115 20 0 HBADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000671704655 1069085283 /nfs/dbraw/zinc/08/52/83/1069085283.db2.gz JMYIEOATDGVRRR-CABCVRRESA-N 1 0 407.496 -0.101 20 0 HBADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000671704656 1069646440 /nfs/dbraw/zinc/64/64/40/1069646440.db2.gz JMYIEOATDGVRRR-GJZGRUSLSA-N 1 0 407.496 -0.101 20 0 HBADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000671704657 1069086095 /nfs/dbraw/zinc/08/60/95/1069086095.db2.gz JMYIEOATDGVRRR-HUUCEWRRSA-N 1 0 407.496 -0.101 20 0 HBADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000671704658 1069086191 /nfs/dbraw/zinc/08/61/91/1069086191.db2.gz JMYIEOATDGVRRR-LSDHHAIUSA-N 1 0 407.496 -0.101 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000671722998 1069098419 /nfs/dbraw/zinc/09/84/19/1069098419.db2.gz AVYOUPBVYUQNMP-UHFFFAOYSA-N 1 0 408.528 -0.015 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000671804111 1069114949 /nfs/dbraw/zinc/11/49/49/1069114949.db2.gz RYYJQEIGDZDQRR-GOSISDBHSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000671804112 1069114817 /nfs/dbraw/zinc/11/48/17/1069114817.db2.gz RYYJQEIGDZDQRR-SFHVURJKSA-N 1 0 402.495 -0.012 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671804113 1069115032 /nfs/dbraw/zinc/11/50/32/1069115032.db2.gz SGWWMCPFZBXURA-KRWDZBQOSA-N 1 0 408.524 -0.096 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671804114 1069115019 /nfs/dbraw/zinc/11/50/19/1069115019.db2.gz SGWWMCPFZBXURA-QGZVFWFLSA-N 1 0 408.524 -0.096 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000671812608 1069116393 /nfs/dbraw/zinc/11/63/93/1069116393.db2.gz QHPHSCOYXYXXMG-GOSISDBHSA-N 1 0 412.512 -0.713 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000671812609 1069116194 /nfs/dbraw/zinc/11/61/94/1069116194.db2.gz QHPHSCOYXYXXMG-SFHVURJKSA-N 1 0 412.512 -0.713 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000671849645 1069123186 /nfs/dbraw/zinc/12/31/86/1069123186.db2.gz STRNYHSJKCCIKC-UHFFFAOYSA-N 1 0 414.514 -0.140 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)C1 ZINC000671851218 1069123074 /nfs/dbraw/zinc/12/30/74/1069123074.db2.gz MSKSFXMCIVSHCK-CABCVRRESA-N 1 0 405.465 -0.022 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)C1 ZINC000671851219 1069123157 /nfs/dbraw/zinc/12/31/57/1069123157.db2.gz MSKSFXMCIVSHCK-GJZGRUSLSA-N 1 0 405.465 -0.022 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)C1 ZINC000671851220 1069123024 /nfs/dbraw/zinc/12/30/24/1069123024.db2.gz MSKSFXMCIVSHCK-HUUCEWRRSA-N 1 0 405.465 -0.022 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)C1 ZINC000671851221 1069123122 /nfs/dbraw/zinc/12/31/22/1069123122.db2.gz MSKSFXMCIVSHCK-LSDHHAIUSA-N 1 0 405.465 -0.022 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000671851701 1069123230 /nfs/dbraw/zinc/12/32/30/1069123230.db2.gz IRUWJNGGVZSCAY-AWEZNQCLSA-N 1 0 421.464 -0.202 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000671851702 1069123174 /nfs/dbraw/zinc/12/31/74/1069123174.db2.gz IRUWJNGGVZSCAY-CQSZACIVSA-N 1 0 421.464 -0.202 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000671869088 1069126886 /nfs/dbraw/zinc/12/68/86/1069126886.db2.gz YBFLAHIVIREECC-UHFFFAOYSA-N 1 0 405.499 -0.551 20 0 HBADRO COC1(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCOCC1 ZINC000671869159 1069126862 /nfs/dbraw/zinc/12/68/62/1069126862.db2.gz RATCSNIDUBFCOS-UHFFFAOYSA-N 1 0 405.499 -0.239 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000671869309 1069127135 /nfs/dbraw/zinc/12/71/35/1069127135.db2.gz KXPNKOSRJGOWGM-INIZCTEOSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000671869310 1069127153 /nfs/dbraw/zinc/12/71/53/1069127153.db2.gz KXPNKOSRJGOWGM-MRXNPFEDSA-N 1 0 405.499 -0.381 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000671869365 1069127732 /nfs/dbraw/zinc/12/77/32/1069127732.db2.gz FUPXIDUYEWZEQS-MSOLQXFVSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000671869366 1069127653 /nfs/dbraw/zinc/12/76/53/1069127653.db2.gz FUPXIDUYEWZEQS-QZTJIDSGSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000671869367 1069127393 /nfs/dbraw/zinc/12/73/93/1069127393.db2.gz FUPXIDUYEWZEQS-ROUUACIJSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000671869368 1069127743 /nfs/dbraw/zinc/12/77/43/1069127743.db2.gz FUPXIDUYEWZEQS-ZWKOTPCHSA-N 1 0 417.510 -0.144 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC(OCCCO)CC2)CC1 ZINC000671869549 1069127062 /nfs/dbraw/zinc/12/70/62/1069127062.db2.gz KLNGQNJXFIYZKO-UHFFFAOYSA-N 1 0 419.526 -0.160 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000671869738 1069126995 /nfs/dbraw/zinc/12/69/95/1069126995.db2.gz AVTAHMWOVOJHDL-DOTOQJQBSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000671869739 1069127121 /nfs/dbraw/zinc/12/71/21/1069127121.db2.gz AVTAHMWOVOJHDL-NVXWUHKLSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000671869740 1069127034 /nfs/dbraw/zinc/12/70/34/1069127034.db2.gz AVTAHMWOVOJHDL-RDJZCZTQSA-N 1 0 404.515 -0.715 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000671869741 1069126929 /nfs/dbraw/zinc/12/69/29/1069126929.db2.gz AVTAHMWOVOJHDL-WBVHZDCISA-N 1 0 404.515 -0.715 20 0 HBADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000671891938 1069133409 /nfs/dbraw/zinc/13/34/09/1069133409.db2.gz JQIRBYULSPRDCJ-INIZCTEOSA-N 1 0 420.518 -0.885 20 0 HBADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000671891939 1068547066 /nfs/dbraw/zinc/54/70/66/1068547066.db2.gz JQIRBYULSPRDCJ-MRXNPFEDSA-N 1 0 420.518 -0.885 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000671904292 1069134785 /nfs/dbraw/zinc/13/47/85/1069134785.db2.gz MDJKBBZWBXSHQB-KRWDZBQOSA-N 1 0 422.551 -0.325 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000671904293 1069010854 /nfs/dbraw/zinc/01/08/54/1069010854.db2.gz MDJKBBZWBXSHQB-QGZVFWFLSA-N 1 0 422.551 -0.325 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671906548 1069135423 /nfs/dbraw/zinc/13/54/23/1069135423.db2.gz VCBVKEHRYVXVBF-HNNXBMFYSA-N 1 0 415.485 -0.403 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671906549 1069135551 /nfs/dbraw/zinc/13/55/51/1069135551.db2.gz VCBVKEHRYVXVBF-OAHLLOKOSA-N 1 0 415.485 -0.403 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671906593 1069135340 /nfs/dbraw/zinc/13/53/40/1069135340.db2.gz YSAYIQMFKFNKQA-HNNXBMFYSA-N 1 0 417.501 -0.109 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671906594 1069135452 /nfs/dbraw/zinc/13/54/52/1069135452.db2.gz YSAYIQMFKFNKQA-OAHLLOKOSA-N 1 0 417.501 -0.109 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671909083 1069136144 /nfs/dbraw/zinc/13/61/44/1069136144.db2.gz LUSKPHYPIMXPIR-UHFFFAOYSA-N 1 0 417.501 -0.155 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671910699 1069134170 /nfs/dbraw/zinc/13/41/70/1069134170.db2.gz OASWWYPYKGKNFK-UHFFFAOYSA-N 1 0 415.485 -0.401 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912367 1069134737 /nfs/dbraw/zinc/13/47/37/1069134737.db2.gz KKBYBSHKNWPALU-AWEZNQCLSA-N 1 0 403.483 -0.669 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000671912370 1069134662 /nfs/dbraw/zinc/13/46/62/1069134662.db2.gz KKBYBSHKNWPALU-CQSZACIVSA-N 1 0 403.483 -0.669 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)c1 ZINC000671912423 1069134729 /nfs/dbraw/zinc/13/47/29/1069134729.db2.gz VLYVABSVAPYOLQ-FQEVSTJZSA-N 1 0 403.483 -0.682 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)c1 ZINC000671912430 1069134680 /nfs/dbraw/zinc/13/46/80/1069134680.db2.gz VLYVABSVAPYOLQ-HXUWFJFHSA-N 1 0 403.483 -0.682 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000671912520 1069134641 /nfs/dbraw/zinc/13/46/41/1069134641.db2.gz UDEMWVKWMMVAPT-UHFFFAOYSA-N 1 0 420.510 -0.406 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000671912581 1069134630 /nfs/dbraw/zinc/13/46/30/1069134630.db2.gz LKGZBPQORWDYFI-KRWDZBQOSA-N 1 0 422.551 -0.079 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000671912582 1069134741 /nfs/dbraw/zinc/13/47/41/1069134741.db2.gz LKGZBPQORWDYFI-QGZVFWFLSA-N 1 0 422.551 -0.079 20 0 HBADRO COC1(CNC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCOCC1 ZINC000671912605 1069134585 /nfs/dbraw/zinc/13/45/85/1069134585.db2.gz QFXKXTIUHCOABB-UHFFFAOYSA-N 1 0 420.510 -0.094 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000671912633 1069134761 /nfs/dbraw/zinc/13/47/61/1069134761.db2.gz CUGPOIXOCXXNGO-CRAIPNDOSA-N 1 0 419.526 -0.571 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000671912634 1069134693 /nfs/dbraw/zinc/13/46/93/1069134693.db2.gz CUGPOIXOCXXNGO-MAUKXSAKSA-N 1 0 419.526 -0.571 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000671912635 1069134835 /nfs/dbraw/zinc/13/48/35/1069134835.db2.gz CUGPOIXOCXXNGO-QAPCUYQASA-N 1 0 419.526 -0.571 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000671912636 1069134812 /nfs/dbraw/zinc/13/48/12/1069134812.db2.gz CUGPOIXOCXXNGO-YJBOKZPZSA-N 1 0 419.526 -0.571 20 0 HBADRO Cn1ccc(CCNC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000671912671 1069134716 /nfs/dbraw/zinc/13/47/16/1069134716.db2.gz OWGSLTGHRNGXMR-UHFFFAOYSA-N 1 0 400.483 -0.313 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2)CC1 ZINC000671950332 1069139999 /nfs/dbraw/zinc/13/99/99/1069139999.db2.gz AZEFBVUKLAKCHE-FQEVSTJZSA-N 1 0 421.586 -0.016 20 0 HBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2)CC1 ZINC000671950335 1069140016 /nfs/dbraw/zinc/14/00/16/1069140016.db2.gz AZEFBVUKLAKCHE-HXUWFJFHSA-N 1 0 421.586 -0.016 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)C1 ZINC000671980810 1069140768 /nfs/dbraw/zinc/14/07/68/1069140768.db2.gz LSSFVLRSTDGUGR-GOSISDBHSA-N 1 0 401.511 -0.178 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)C1 ZINC000671980811 1069140912 /nfs/dbraw/zinc/14/09/12/1069140912.db2.gz LSSFVLRSTDGUGR-SFHVURJKSA-N 1 0 401.511 -0.178 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000671980836 1069140658 /nfs/dbraw/zinc/14/06/58/1069140658.db2.gz OJBZPWQNGOBEFG-DLBZAZTESA-N 1 0 409.531 -0.987 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000671980837 1069140967 /nfs/dbraw/zinc/14/09/67/1069140967.db2.gz OJBZPWQNGOBEFG-IAGOWNOFSA-N 1 0 409.531 -0.987 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000671980838 1069140843 /nfs/dbraw/zinc/14/08/43/1069140843.db2.gz OJBZPWQNGOBEFG-IRXDYDNUSA-N 1 0 409.531 -0.987 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000671980839 1069141010 /nfs/dbraw/zinc/14/10/10/1069141010.db2.gz OJBZPWQNGOBEFG-SJORKVTESA-N 1 0 409.531 -0.987 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671980944 1069142515 /nfs/dbraw/zinc/14/25/15/1069142515.db2.gz SMJIFUVPHCNECB-CYBMUJFWSA-N 1 0 403.474 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671980945 1069142615 /nfs/dbraw/zinc/14/26/15/1069142615.db2.gz SMJIFUVPHCNECB-ZDUSSCGKSA-N 1 0 403.474 -0.464 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCCN2CCCCCC2=O)C1 ZINC000671980972 1069141592 /nfs/dbraw/zinc/14/15/92/1069141592.db2.gz XVGAWHGTMMHNEJ-INIZCTEOSA-N 1 0 409.531 -0.401 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCCN2CCCCCC2=O)C1 ZINC000671980973 1069141814 /nfs/dbraw/zinc/14/18/14/1069141814.db2.gz XVGAWHGTMMHNEJ-MRXNPFEDSA-N 1 0 409.531 -0.401 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccnn1C ZINC000671981008 1069141705 /nfs/dbraw/zinc/14/17/05/1069141705.db2.gz AQQVVPXFWKHYQE-CVEARBPZSA-N 1 0 406.531 -0.021 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccnn1C ZINC000671981009 1069141852 /nfs/dbraw/zinc/14/18/52/1069141852.db2.gz AQQVVPXFWKHYQE-HOTGVXAUSA-N 1 0 406.531 -0.021 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccnn1C ZINC000671981010 1069141838 /nfs/dbraw/zinc/14/18/38/1069141838.db2.gz AQQVVPXFWKHYQE-HZPDHXFCSA-N 1 0 406.531 -0.021 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccnn1C ZINC000671981011 1069141769 /nfs/dbraw/zinc/14/17/69/1069141769.db2.gz AQQVVPXFWKHYQE-JKSUJKDBSA-N 1 0 406.531 -0.021 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C(F)(F)F)O1 ZINC000671981046 1069141868 /nfs/dbraw/zinc/14/18/68/1069141868.db2.gz GJKWFZPPRUBPSZ-AGIUHOORSA-N 1 0 408.421 -0.132 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C(F)(F)F)O1 ZINC000671981047 1069141757 /nfs/dbraw/zinc/14/17/57/1069141757.db2.gz GJKWFZPPRUBPSZ-FRRDWIJNSA-N 1 0 408.421 -0.132 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C(F)(F)F)O1 ZINC000671981048 1069141824 /nfs/dbraw/zinc/14/18/24/1069141824.db2.gz GJKWFZPPRUBPSZ-JHJVBQTASA-N 1 0 408.421 -0.132 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C(F)(F)F)O1 ZINC000671981049 1069141615 /nfs/dbraw/zinc/14/16/15/1069141615.db2.gz GJKWFZPPRUBPSZ-UPJWGTAASA-N 1 0 408.421 -0.132 20 0 HBADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143186 /nfs/dbraw/zinc/14/31/86/1069143186.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 1 0 401.511 -0.007 20 0 HBADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143357 /nfs/dbraw/zinc/14/33/57/1069143357.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 1 0 401.511 -0.007 20 0 HBADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144293 /nfs/dbraw/zinc/14/42/93/1069144293.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 1 0 401.511 -0.007 20 0 HBADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144182 /nfs/dbraw/zinc/14/41/82/1069144182.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 1 0 401.511 -0.007 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000671981110 1069144249 /nfs/dbraw/zinc/14/42/49/1069144249.db2.gz BSMOTBBPSHYGAL-INIZCTEOSA-N 1 0 417.514 -0.863 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000671981111 1069143774 /nfs/dbraw/zinc/14/37/74/1069143774.db2.gz BSMOTBBPSHYGAL-MRXNPFEDSA-N 1 0 417.514 -0.863 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000671981142 1069144315 /nfs/dbraw/zinc/14/43/15/1069144315.db2.gz GXCBNLZZNNHJMB-CVEARBPZSA-N 1 0 402.499 -0.520 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000671981143 1069144101 /nfs/dbraw/zinc/14/41/01/1069144101.db2.gz GXCBNLZZNNHJMB-HOTGVXAUSA-N 1 0 402.499 -0.520 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000671981144 1069144054 /nfs/dbraw/zinc/14/40/54/1069144054.db2.gz GXCBNLZZNNHJMB-HZPDHXFCSA-N 1 0 402.499 -0.520 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000671981145 1069144330 /nfs/dbraw/zinc/14/43/30/1069144330.db2.gz GXCBNLZZNNHJMB-JKSUJKDBSA-N 1 0 402.499 -0.520 20 0 HBADRO CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCc2c1cnn2C ZINC000671981262 1069143113 /nfs/dbraw/zinc/14/31/13/1069143113.db2.gz SPDQARWIUSEIEI-GDBMZVCRSA-N 1 0 404.515 -0.041 20 0 HBADRO CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCc2c1cnn2C ZINC000671981263 1069143391 /nfs/dbraw/zinc/14/33/91/1069143391.db2.gz SPDQARWIUSEIEI-GOEBONIOSA-N 1 0 404.515 -0.041 20 0 HBADRO CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCc2c1cnn2C ZINC000671981264 1069143385 /nfs/dbraw/zinc/14/33/85/1069143385.db2.gz SPDQARWIUSEIEI-HOCLYGCPSA-N 1 0 404.515 -0.041 20 0 HBADRO CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCc2c1cnn2C ZINC000671981265 1069143141 /nfs/dbraw/zinc/14/31/41/1069143141.db2.gz SPDQARWIUSEIEI-ZBFHGGJFSA-N 1 0 404.515 -0.041 20 0 HBADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000671981294 1069143401 /nfs/dbraw/zinc/14/34/01/1069143401.db2.gz XRYAXSFPQQNXKR-CVEARBPZSA-N 1 0 418.494 -0.182 20 0 HBADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000671981295 1069143092 /nfs/dbraw/zinc/14/30/92/1069143092.db2.gz OWURWZCTVOZDMM-HNNXBMFYSA-N 1 0 424.546 -0.658 20 0 HBADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC000671981296 1069143291 /nfs/dbraw/zinc/14/32/91/1069143291.db2.gz XRYAXSFPQQNXKR-HOTGVXAUSA-N 1 0 418.494 -0.182 20 0 HBADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000671981297 1069143409 /nfs/dbraw/zinc/14/34/09/1069143409.db2.gz XRYAXSFPQQNXKR-HZPDHXFCSA-N 1 0 418.494 -0.182 20 0 HBADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC000671981298 1069143174 /nfs/dbraw/zinc/14/31/74/1069143174.db2.gz XRYAXSFPQQNXKR-JKSUJKDBSA-N 1 0 418.494 -0.182 20 0 HBADRO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000671981307 1069143321 /nfs/dbraw/zinc/14/33/21/1069143321.db2.gz OWURWZCTVOZDMM-OAHLLOKOSA-N 1 0 424.546 -0.658 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000671981442 1069143240 /nfs/dbraw/zinc/14/32/40/1069143240.db2.gz CTYYOEAYDFATSA-HNNXBMFYSA-N 1 0 413.482 -0.413 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000671981443 1069143348 /nfs/dbraw/zinc/14/33/48/1069143348.db2.gz CTYYOEAYDFATSA-OAHLLOKOSA-N 1 0 413.482 -0.413 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981524 1069142564 /nfs/dbraw/zinc/14/25/64/1069142564.db2.gz NGUWJDJEFMSOGX-CHWSQXEVSA-N 1 0 407.437 -0.557 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981525 1069142446 /nfs/dbraw/zinc/14/24/46/1069142446.db2.gz NGUWJDJEFMSOGX-OLZOCXBDSA-N 1 0 407.437 -0.557 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981526 1069142532 /nfs/dbraw/zinc/14/25/32/1069142532.db2.gz NGUWJDJEFMSOGX-QWHCGFSZSA-N 1 0 407.437 -0.557 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981527 1069142584 /nfs/dbraw/zinc/14/25/84/1069142584.db2.gz NGUWJDJEFMSOGX-STQMWFEESA-N 1 0 407.437 -0.557 20 0 HBADRO NC(=O)c1cccc(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000671981530 1069142576 /nfs/dbraw/zinc/14/25/76/1069142576.db2.gz PJOLVYSZERLLEF-INIZCTEOSA-N 1 0 403.483 -0.852 20 0 HBADRO NC(=O)c1cccc(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000671981531 1069142316 /nfs/dbraw/zinc/14/23/16/1069142316.db2.gz PJOLVYSZERLLEF-MRXNPFEDSA-N 1 0 403.483 -0.852 20 0 HBADRO Cn1nc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000671981538 1069142476 /nfs/dbraw/zinc/14/24/76/1069142476.db2.gz QOPRTXDJHKRPMR-AWEZNQCLSA-N 1 0 400.483 -0.107 20 0 HBADRO Cn1nc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000671981539 1069142634 /nfs/dbraw/zinc/14/26/34/1069142634.db2.gz QOPRTXDJHKRPMR-CQSZACIVSA-N 1 0 400.483 -0.107 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671981596 1069143415 /nfs/dbraw/zinc/14/34/15/1069143415.db2.gz ZEIYSIPHDNHMKC-DLBZAZTESA-N 1 0 421.542 -0.403 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671981597 1069143305 /nfs/dbraw/zinc/14/33/05/1069143305.db2.gz ZEIYSIPHDNHMKC-IAGOWNOFSA-N 1 0 421.542 -0.403 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671981598 1069143314 /nfs/dbraw/zinc/14/33/14/1069143314.db2.gz ZEIYSIPHDNHMKC-IRXDYDNUSA-N 1 0 421.542 -0.403 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671981599 1069143156 /nfs/dbraw/zinc/14/31/56/1069143156.db2.gz ZEIYSIPHDNHMKC-SJORKVTESA-N 1 0 421.542 -0.403 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)C1 ZINC000671981704 1069142499 /nfs/dbraw/zinc/14/24/99/1069142499.db2.gz KWIBDQAPOJGRFL-INIZCTEOSA-N 1 0 415.494 -0.435 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)C1 ZINC000671981705 1069142644 /nfs/dbraw/zinc/14/26/44/1069142644.db2.gz KWIBDQAPOJGRFL-MRXNPFEDSA-N 1 0 415.494 -0.435 20 0 HBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000671981764 1069142420 /nfs/dbraw/zinc/14/24/20/1069142420.db2.gz TZJHKCHFNAHHBR-HNNXBMFYSA-N 1 0 409.531 -0.452 20 0 HBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000671981765 1069142545 /nfs/dbraw/zinc/14/25/45/1069142545.db2.gz TZJHKCHFNAHHBR-OAHLLOKOSA-N 1 0 409.531 -0.452 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@]2(CCOC2)O1 ZINC000671981788 1069141845 /nfs/dbraw/zinc/14/18/45/1069141845.db2.gz XCXBJLPOWFJUPZ-JXXFODFXSA-N 1 0 410.515 -0.514 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@]2(CCOC2)O1 ZINC000671981789 1069141795 /nfs/dbraw/zinc/14/17/95/1069141795.db2.gz XCXBJLPOWFJUPZ-QINHECLXSA-N 1 0 410.515 -0.514 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@]2(CCOC2)O1 ZINC000671981790 1069141724 /nfs/dbraw/zinc/14/17/24/1069141724.db2.gz XCXBJLPOWFJUPZ-RZQQEMMASA-N 1 0 410.515 -0.514 20 0 HBADRO CC[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@]2(CCOC2)O1 ZINC000671981791 1069141861 /nfs/dbraw/zinc/14/18/61/1069141861.db2.gz XCXBJLPOWFJUPZ-YRNRMSPPSA-N 1 0 410.515 -0.514 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000671995553 1069147274 /nfs/dbraw/zinc/14/72/74/1069147274.db2.gz ZMSBXXCYLNUBIZ-DLBZAZTESA-N 1 0 416.526 -0.165 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000671995554 1069147319 /nfs/dbraw/zinc/14/73/19/1069147319.db2.gz ZMSBXXCYLNUBIZ-IAGOWNOFSA-N 1 0 416.526 -0.165 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000671995555 1069147459 /nfs/dbraw/zinc/14/74/59/1069147459.db2.gz ZMSBXXCYLNUBIZ-IRXDYDNUSA-N 1 0 416.526 -0.165 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000671995556 1069147365 /nfs/dbraw/zinc/14/73/65/1069147365.db2.gz ZMSBXXCYLNUBIZ-SJORKVTESA-N 1 0 416.526 -0.165 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000671998052 1069149547 /nfs/dbraw/zinc/14/95/47/1069149547.db2.gz JCWGKPAKELJHDW-KRWDZBQOSA-N 1 0 416.526 -0.163 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000671998053 1069149717 /nfs/dbraw/zinc/14/97/17/1069149717.db2.gz JCWGKPAKELJHDW-QGZVFWFLSA-N 1 0 416.526 -0.163 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000671998058 1069148985 /nfs/dbraw/zinc/14/89/85/1069148985.db2.gz KAWKVGXRXAVXKM-INIZCTEOSA-N 1 0 402.499 -0.553 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000671998060 1069148950 /nfs/dbraw/zinc/14/89/50/1069148950.db2.gz KAWKVGXRXAVXKM-MRXNPFEDSA-N 1 0 402.499 -0.553 20 0 HBADRO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000672000755 1069150949 /nfs/dbraw/zinc/15/09/49/1069150949.db2.gz IRGZPJJORSYNJN-DLBZAZTESA-N 1 0 403.527 0.000 20 0 HBADRO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000672000756 1069151193 /nfs/dbraw/zinc/15/11/93/1069151193.db2.gz IRGZPJJORSYNJN-IAGOWNOFSA-N 1 0 403.527 0.000 20 0 HBADRO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000672000757 1069150912 /nfs/dbraw/zinc/15/09/12/1069150912.db2.gz IRGZPJJORSYNJN-IRXDYDNUSA-N 1 0 403.527 0.000 20 0 HBADRO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000672000758 1069151026 /nfs/dbraw/zinc/15/10/26/1069151026.db2.gz IRGZPJJORSYNJN-SJORKVTESA-N 1 0 403.527 0.000 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000672001643 1069149709 /nfs/dbraw/zinc/14/97/09/1069149709.db2.gz RVKIQNIIIBRNLU-PBHICJAKSA-N 1 0 400.483 -0.202 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000672001644 1069149668 /nfs/dbraw/zinc/14/96/68/1069149668.db2.gz RVKIQNIIIBRNLU-RHSMWYFYSA-N 1 0 400.483 -0.202 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000672001645 1069150312 /nfs/dbraw/zinc/15/03/12/1069150312.db2.gz RVKIQNIIIBRNLU-WMLDXEAASA-N 1 0 400.483 -0.202 20 0 HBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000672001646 1069150238 /nfs/dbraw/zinc/15/02/38/1069150238.db2.gz RVKIQNIIIBRNLU-YOEHRIQHSA-N 1 0 400.483 -0.202 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000672003545 1069150985 /nfs/dbraw/zinc/15/09/85/1069150985.db2.gz SMTHPXXNZHFTJL-HNNXBMFYSA-N 1 0 418.502 -0.849 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000672003546 1069151751 /nfs/dbraw/zinc/15/17/51/1069151751.db2.gz SMTHPXXNZHFTJL-OAHLLOKOSA-N 1 0 418.502 -0.849 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672004411 1069151892 /nfs/dbraw/zinc/15/18/92/1069151892.db2.gz IPWPNPOMHSLJGX-UHFFFAOYSA-N 1 0 400.501 -0.607 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000672004486 1069152052 /nfs/dbraw/zinc/15/20/52/1069152052.db2.gz YDWNSASUGKEWST-UHFFFAOYSA-N 1 0 412.512 -0.463 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)no1 ZINC000672007282 1069152356 /nfs/dbraw/zinc/15/23/56/1069152356.db2.gz GGSIXUPHMPDTIH-HNNXBMFYSA-N 1 0 420.514 -0.088 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)no1 ZINC000672007283 1069152617 /nfs/dbraw/zinc/15/26/17/1069152617.db2.gz GGSIXUPHMPDTIH-OAHLLOKOSA-N 1 0 420.514 -0.088 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC(=O)N2C)cnn1C ZINC000672007323 1069152454 /nfs/dbraw/zinc/15/24/54/1069152454.db2.gz HBHAZXIAXXMQMD-NJAPINKUSA-N 1 0 404.515 -0.037 20 0 HBADRO Cc1c([C@H]2[C@H](NC(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC(=O)N2C)cnn1C ZINC000672007324 1069153176 /nfs/dbraw/zinc/15/31/76/1069153176.db2.gz HBHAZXIAXXMQMD-XZOAIXRZSA-N 1 0 404.515 -0.037 20 0 HBADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000672007801 1069154127 /nfs/dbraw/zinc/15/41/27/1069154127.db2.gz FBJNLWOSLXUWEK-GDBMZVCRSA-N 1 0 404.515 -0.126 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000672007810 1069154183 /nfs/dbraw/zinc/15/41/83/1069154183.db2.gz FBJNLWOSLXUWEK-GOEBONIOSA-N 1 0 404.515 -0.126 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000672007811 1069153855 /nfs/dbraw/zinc/15/38/55/1069153855.db2.gz FBJNLWOSLXUWEK-HOCLYGCPSA-N 1 0 404.515 -0.126 20 0 HBADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000672007812 1069154020 /nfs/dbraw/zinc/15/40/20/1069154020.db2.gz FBJNLWOSLXUWEK-ZBFHGGJFSA-N 1 0 404.515 -0.126 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc3nncn3n2)CC1)C1CC[NH+](C)CC1 ZINC000672008170 1069153217 /nfs/dbraw/zinc/15/32/17/1069153217.db2.gz ICENOKFCGNDIFY-AWEZNQCLSA-N 1 0 400.487 -0.381 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc3nncn3n2)CC1)C1CC[NH+](C)CC1 ZINC000672008172 1069153110 /nfs/dbraw/zinc/15/31/10/1069153110.db2.gz ICENOKFCGNDIFY-CQSZACIVSA-N 1 0 400.487 -0.381 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008194 1069153227 /nfs/dbraw/zinc/15/32/27/1069153227.db2.gz IJSSIGNRUFUFOO-AOIWGVFYSA-N 1 0 409.575 -0.304 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008199 1069153193 /nfs/dbraw/zinc/15/31/93/1069153193.db2.gz IJSSIGNRUFUFOO-JENIJYKNSA-N 1 0 409.575 -0.304 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008201 1069153150 /nfs/dbraw/zinc/15/31/50/1069153150.db2.gz IJSSIGNRUFUFOO-LNLFQRSKSA-N 1 0 409.575 -0.304 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008205 1069152983 /nfs/dbraw/zinc/15/29/83/1069152983.db2.gz IJSSIGNRUFUFOO-ZIFCJYIRSA-N 1 0 409.575 -0.304 20 0 HBADRO CC(=O)N1CCN([C@@H]2CN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)C[C@@H]2C)CC1 ZINC000672008447 1069153254 /nfs/dbraw/zinc/15/32/54/1069153254.db2.gz SEPCGLCFVRDMIS-FRQCXROJSA-N 1 0 407.559 -0.156 20 0 HBADRO CC(=O)N1CCN([C@@H]2CN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)C[C@H]2C)CC1 ZINC000672008448 1069153121 /nfs/dbraw/zinc/15/31/21/1069153121.db2.gz SEPCGLCFVRDMIS-GPMSIDNRSA-N 1 0 407.559 -0.156 20 0 HBADRO CC(=O)N1CCN([C@@H]2CN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)C[C@H]2C)CC1 ZINC000672008449 1069153300 /nfs/dbraw/zinc/15/33/00/1069153300.db2.gz SEPCGLCFVRDMIS-JTDSTZFVSA-N 1 0 407.559 -0.156 20 0 HBADRO CC(=O)N1CCN([C@@H]2CN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)C[C@@H]2C)CC1 ZINC000672008450 1069153274 /nfs/dbraw/zinc/15/32/74/1069153274.db2.gz SEPCGLCFVRDMIS-TXPKVOOTSA-N 1 0 407.559 -0.156 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)n1 ZINC000672008587 1069153069 /nfs/dbraw/zinc/15/30/69/1069153069.db2.gz AQXSAHBZLUDSBB-AWEZNQCLSA-N 1 0 408.503 -0.293 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)n1 ZINC000672008588 1069153174 /nfs/dbraw/zinc/15/31/74/1069153174.db2.gz AQXSAHBZLUDSBB-CQSZACIVSA-N 1 0 408.503 -0.293 20 0 HBADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672008635 1069153022 /nfs/dbraw/zinc/15/30/22/1069153022.db2.gz AWHZNNORBRJOLE-GDBMZVCRSA-N 1 0 404.515 -0.288 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672008636 1069153100 /nfs/dbraw/zinc/15/31/00/1069153100.db2.gz AWHZNNORBRJOLE-GOEBONIOSA-N 1 0 404.515 -0.288 20 0 HBADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672008637 1069153335 /nfs/dbraw/zinc/15/33/35/1069153335.db2.gz AWHZNNORBRJOLE-HOCLYGCPSA-N 1 0 404.515 -0.288 20 0 HBADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672008638 1069153053 /nfs/dbraw/zinc/15/30/53/1069153053.db2.gz AWHZNNORBRJOLE-ZBFHGGJFSA-N 1 0 404.515 -0.288 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC[NH+](C)CC1 ZINC000672009777 1069154234 /nfs/dbraw/zinc/15/42/34/1069154234.db2.gz JFNCBQSCBNTARA-AWEZNQCLSA-N 1 0 414.514 -0.142 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC[NH+](C)CC1 ZINC000672009778 1069154079 /nfs/dbraw/zinc/15/40/79/1069154079.db2.gz JFNCBQSCBNTARA-CQSZACIVSA-N 1 0 414.514 -0.142 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672010121 1069154168 /nfs/dbraw/zinc/15/41/68/1069154168.db2.gz LYJLZFPIOGTKGM-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672010124 1069153933 /nfs/dbraw/zinc/15/39/33/1069153933.db2.gz LYJLZFPIOGTKGM-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000672011813 1069154674 /nfs/dbraw/zinc/15/46/74/1069154674.db2.gz XFXAZZYOHDKCJW-AWEZNQCLSA-N 1 0 402.499 -0.324 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000672011814 1069154661 /nfs/dbraw/zinc/15/46/61/1069154661.db2.gz XFXAZZYOHDKCJW-CQSZACIVSA-N 1 0 402.499 -0.324 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CC[NH+](C)CC1 ZINC000672011927 1069154054 /nfs/dbraw/zinc/15/40/54/1069154054.db2.gz LOLGNHXDVOXQNU-CYBMUJFWSA-N 1 0 406.574 -0.672 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CC[NH+](C)CC1 ZINC000672011928 1069154195 /nfs/dbraw/zinc/15/41/95/1069154195.db2.gz LOLGNHXDVOXQNU-ZDUSSCGKSA-N 1 0 406.574 -0.672 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672012230 1069155642 /nfs/dbraw/zinc/15/56/42/1069155642.db2.gz OLTRYWFSMVBYQM-DLBZAZTESA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672012231 1069155439 /nfs/dbraw/zinc/15/54/39/1069155439.db2.gz OLTRYWFSMVBYQM-IAGOWNOFSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672012232 1069155315 /nfs/dbraw/zinc/15/53/15/1069155315.db2.gz OLTRYWFSMVBYQM-IRXDYDNUSA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672012233 1069155578 /nfs/dbraw/zinc/15/55/78/1069155578.db2.gz OLTRYWFSMVBYQM-SJORKVTESA-N 1 0 407.559 -0.012 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)C1CC[NH+](C)CC1 ZINC000672012878 1069155621 /nfs/dbraw/zinc/15/56/21/1069155621.db2.gz XHKQRDXVWNALBJ-GDBMZVCRSA-N 1 0 403.531 -0.062 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)C1CC[NH+](C)CC1 ZINC000672012883 1069154691 /nfs/dbraw/zinc/15/46/91/1069154691.db2.gz XHKQRDXVWNALBJ-GOEBONIOSA-N 1 0 403.531 -0.062 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)C1CC[NH+](C)CC1 ZINC000672012887 1069154677 /nfs/dbraw/zinc/15/46/77/1069154677.db2.gz XHKQRDXVWNALBJ-HOCLYGCPSA-N 1 0 403.531 -0.062 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)C1CC[NH+](C)CC1 ZINC000672012890 1069154734 /nfs/dbraw/zinc/15/47/34/1069154734.db2.gz XHKQRDXVWNALBJ-ZBFHGGJFSA-N 1 0 403.531 -0.062 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C1CC[NH+](C)CC1 ZINC000672012915 1069154550 /nfs/dbraw/zinc/15/45/50/1069154550.db2.gz DKOWEINFOWPTTP-DOTOQJQBSA-N 1 0 404.515 -0.013 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1)C1CC[NH+](C)CC1 ZINC000672012916 1069154628 /nfs/dbraw/zinc/15/46/28/1069154628.db2.gz DKOWEINFOWPTTP-NVXWUHKLSA-N 1 0 404.515 -0.013 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C1CC[NH+](C)CC1 ZINC000672012917 1069154697 /nfs/dbraw/zinc/15/46/97/1069154697.db2.gz DKOWEINFOWPTTP-RDJZCZTQSA-N 1 0 404.515 -0.013 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)c2cccnn2)C1)C1CC[NH+](C)CC1 ZINC000672012918 1069155522 /nfs/dbraw/zinc/15/55/22/1069155522.db2.gz DKOWEINFOWPTTP-WBVHZDCISA-N 1 0 404.515 -0.013 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672013318 1069156671 /nfs/dbraw/zinc/15/66/71/1069156671.db2.gz JEZJJYVIEFFIBM-GDBMZVCRSA-N 1 0 420.514 -0.734 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672013320 1069156628 /nfs/dbraw/zinc/15/66/28/1069156628.db2.gz JEZJJYVIEFFIBM-GOEBONIOSA-N 1 0 420.514 -0.734 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672013321 1069156822 /nfs/dbraw/zinc/15/68/22/1069156822.db2.gz JEZJJYVIEFFIBM-HOCLYGCPSA-N 1 0 420.514 -0.734 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1)C1CC[NH+](C)CC1 ZINC000672013322 1069156805 /nfs/dbraw/zinc/15/68/05/1069156805.db2.gz JEZJJYVIEFFIBM-ZBFHGGJFSA-N 1 0 420.514 -0.734 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000672013960 1069156787 /nfs/dbraw/zinc/15/67/87/1069156787.db2.gz PJCIKCYWHDSHDE-GDBMZVCRSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000672013979 1069156740 /nfs/dbraw/zinc/15/67/40/1069156740.db2.gz PJCIKCYWHDSHDE-GOEBONIOSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000672013991 1069156545 /nfs/dbraw/zinc/15/65/45/1069156545.db2.gz PJCIKCYWHDSHDE-HOCLYGCPSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000672013992 1068906621 /nfs/dbraw/zinc/90/66/21/1068906621.db2.gz PJCIKCYWHDSHDE-ZBFHGGJFSA-N 1 0 400.545 -0.141 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672014702 1069155485 /nfs/dbraw/zinc/15/54/85/1069155485.db2.gz XNUQDTIYVMNVOU-AWEZNQCLSA-N 1 0 402.499 -0.324 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672014704 1069155732 /nfs/dbraw/zinc/15/57/32/1069155732.db2.gz XNUQDTIYVMNVOU-CQSZACIVSA-N 1 0 402.499 -0.324 20 0 HBADRO Cc1nc2cncc(N3CCN(C(=O)C(=O)N[C@@H](C)C4CC[NH+](C)CC4)CC3)n2n1 ZINC000672015135 1069156076 /nfs/dbraw/zinc/15/60/76/1069156076.db2.gz RGNFBPWLUATRDR-AWEZNQCLSA-N 1 0 414.514 -0.072 20 0 HBADRO Cc1nc2cncc(N3CCN(C(=O)C(=O)N[C@H](C)C4CC[NH+](C)CC4)CC3)n2n1 ZINC000672015136 1069156015 /nfs/dbraw/zinc/15/60/15/1069156015.db2.gz RGNFBPWLUATRDR-CQSZACIVSA-N 1 0 414.514 -0.072 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015573 1069155996 /nfs/dbraw/zinc/15/59/96/1069155996.db2.gz YVZYQGJLLOCURB-INIZCTEOSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015574 1069155924 /nfs/dbraw/zinc/15/59/24/1069155924.db2.gz YVZYQGJLLOCURB-MRXNPFEDSA-N 1 0 407.559 -0.155 20 0 HBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000672061989 1069173453 /nfs/dbraw/zinc/17/34/53/1069173453.db2.gz PHPLTPMVOXDPPG-INIZCTEOSA-N 1 0 417.514 -0.816 20 0 HBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000672061990 1069174822 /nfs/dbraw/zinc/17/48/22/1069174822.db2.gz PHPLTPMVOXDPPG-MRXNPFEDSA-N 1 0 417.514 -0.816 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000672062171 1069175387 /nfs/dbraw/zinc/17/53/87/1069175387.db2.gz CMJZMDGEYWEHAF-UHFFFAOYSA-N 1 0 419.526 -0.496 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000672062438 1069175449 /nfs/dbraw/zinc/17/54/49/1069175449.db2.gz RVJAMAAPBMBFAT-UHFFFAOYSA-N 1 0 419.526 -0.232 20 0 HBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672062471 1069175529 /nfs/dbraw/zinc/17/55/29/1069175529.db2.gz ZSJLQXZFFQXLJP-UHFFFAOYSA-N 1 0 410.478 -0.058 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672110730 1069189454 /nfs/dbraw/zinc/18/94/54/1069189454.db2.gz WINBRDMUGZIGGZ-MSOLQXFVSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672110731 1069189164 /nfs/dbraw/zinc/18/91/64/1069189164.db2.gz WINBRDMUGZIGGZ-QZTJIDSGSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672110732 1069189309 /nfs/dbraw/zinc/18/93/09/1069189309.db2.gz WINBRDMUGZIGGZ-ROUUACIJSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672110733 1069189498 /nfs/dbraw/zinc/18/94/98/1069189498.db2.gz WINBRDMUGZIGGZ-ZWKOTPCHSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000672110770 1069189332 /nfs/dbraw/zinc/18/93/32/1069189332.db2.gz DIOXUFUFRVBDRZ-DLBZAZTESA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000672110771 1069189481 /nfs/dbraw/zinc/18/94/81/1069189481.db2.gz DIOXUFUFRVBDRZ-IAGOWNOFSA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000672110772 1069189435 /nfs/dbraw/zinc/18/94/35/1069189435.db2.gz DIOXUFUFRVBDRZ-IRXDYDNUSA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000672110773 1069189239 /nfs/dbraw/zinc/18/92/39/1069189239.db2.gz DIOXUFUFRVBDRZ-SJORKVTESA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000672110936 1069188492 /nfs/dbraw/zinc/18/84/92/1069188492.db2.gz DDTKFUQBIOZFLM-BBWFWOEESA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000672110937 1069188550 /nfs/dbraw/zinc/18/85/50/1069188550.db2.gz DDTKFUQBIOZFLM-GVDBMIGSSA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000672110938 1069189473 /nfs/dbraw/zinc/18/94/73/1069189473.db2.gz DDTKFUQBIOZFLM-ULQDDVLXSA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000672110939 1069189145 /nfs/dbraw/zinc/18/91/45/1069189145.db2.gz DDTKFUQBIOZFLM-YESZJQIVSA-N 1 0 410.515 -0.548 20 0 HBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111174 1069190039 /nfs/dbraw/zinc/19/00/39/1069190039.db2.gz VJWDRBCBUVJQCP-CVEARBPZSA-N 1 0 409.531 -0.438 20 0 HBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111175 1069190116 /nfs/dbraw/zinc/19/01/16/1069190116.db2.gz VJWDRBCBUVJQCP-HOTGVXAUSA-N 1 0 409.531 -0.438 20 0 HBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111176 1069190067 /nfs/dbraw/zinc/19/00/67/1069190067.db2.gz VJWDRBCBUVJQCP-HZPDHXFCSA-N 1 0 409.531 -0.438 20 0 HBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111177 1069189939 /nfs/dbraw/zinc/18/99/39/1069189939.db2.gz VJWDRBCBUVJQCP-JKSUJKDBSA-N 1 0 409.531 -0.438 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000672111357 1069190171 /nfs/dbraw/zinc/19/01/71/1069190171.db2.gz WJELSGKVHRYSQC-KRWDZBQOSA-N 1 0 419.530 -0.872 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000672111358 1069189881 /nfs/dbraw/zinc/18/98/81/1069189881.db2.gz WJELSGKVHRYSQC-QGZVFWFLSA-N 1 0 419.530 -0.872 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672111622 1069189206 /nfs/dbraw/zinc/18/92/06/1069189206.db2.gz KCXLMGIDCMLBLX-AWEZNQCLSA-N 1 0 410.544 -0.116 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672111623 1069189402 /nfs/dbraw/zinc/18/94/02/1069189402.db2.gz KCXLMGIDCMLBLX-CQSZACIVSA-N 1 0 410.544 -0.116 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000672111629 1069189420 /nfs/dbraw/zinc/18/94/20/1069189420.db2.gz KWJPWXWBRJKBME-AWEZNQCLSA-N 1 0 421.464 -0.248 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000672111630 1069189379 /nfs/dbraw/zinc/18/93/79/1069189379.db2.gz KWJPWXWBRJKBME-CQSZACIVSA-N 1 0 421.464 -0.248 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000672111631 1069189275 /nfs/dbraw/zinc/18/92/75/1069189275.db2.gz MWWTULBGGBIZTG-KRWDZBQOSA-N 1 0 412.531 -0.565 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000672111632 1069189365 /nfs/dbraw/zinc/18/93/65/1069189365.db2.gz MWWTULBGGBIZTG-QGZVFWFLSA-N 1 0 412.531 -0.565 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000672114446 1069191441 /nfs/dbraw/zinc/19/14/41/1069191441.db2.gz PHYRDHONZVDAHG-GOSISDBHSA-N 1 0 401.511 -0.317 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000672114447 1069191568 /nfs/dbraw/zinc/19/15/68/1069191568.db2.gz PHYRDHONZVDAHG-SFHVURJKSA-N 1 0 401.511 -0.317 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000672114473 1069191416 /nfs/dbraw/zinc/19/14/16/1069191416.db2.gz YMJDHZQLJRWJGH-KRWDZBQOSA-N 1 0 401.511 -0.271 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000672114474 1069191451 /nfs/dbraw/zinc/19/14/51/1069191451.db2.gz YMJDHZQLJRWJGH-QGZVFWFLSA-N 1 0 401.511 -0.271 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672117288 1069192277 /nfs/dbraw/zinc/19/22/77/1069192277.db2.gz LHMVAUYFPYUSJV-GOSISDBHSA-N 1 0 402.495 -0.058 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000672117289 1069192131 /nfs/dbraw/zinc/19/21/31/1069192131.db2.gz LHMVAUYFPYUSJV-SFHVURJKSA-N 1 0 402.495 -0.058 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000672118053 1069193171 /nfs/dbraw/zinc/19/31/71/1069193171.db2.gz KNNMTWFQFAKBGJ-INIZCTEOSA-N 1 0 408.524 -0.368 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000672118054 1069193154 /nfs/dbraw/zinc/19/31/54/1069193154.db2.gz KNNMTWFQFAKBGJ-MRXNPFEDSA-N 1 0 408.524 -0.368 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000672128442 1069193746 /nfs/dbraw/zinc/19/37/46/1069193746.db2.gz LCXBDUFGICSKJB-INIZCTEOSA-N 1 0 420.510 -0.003 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c1 ZINC000672128443 1069193543 /nfs/dbraw/zinc/19/35/43/1069193543.db2.gz LCXBDUFGICSKJB-MRXNPFEDSA-N 1 0 420.510 -0.003 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCN(c3cc[nH+]cc3)CC2)[C@H](O)[C@@H]1O ZINC000672144230 1069195272 /nfs/dbraw/zinc/19/52/72/1069195272.db2.gz NCLRSAADMFJDCJ-NVQRDWNXSA-N 1 0 413.438 -0.841 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NCCN2CC[NH+](C)CC2)c(S(N)(=O)=O)c1 ZINC000672157443 1069202658 /nfs/dbraw/zinc/20/26/58/1069202658.db2.gz DLDIOWGXXZAIGM-UHFFFAOYSA-N 1 0 405.546 -0.756 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672164811 1069204926 /nfs/dbraw/zinc/20/49/26/1069204926.db2.gz PXONAPXUTCXIAQ-CVEARBPZSA-N 1 0 417.510 -0.293 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672164812 1069204838 /nfs/dbraw/zinc/20/48/38/1069204838.db2.gz PXONAPXUTCXIAQ-HOTGVXAUSA-N 1 0 417.510 -0.293 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672164813 1069204968 /nfs/dbraw/zinc/20/49/68/1069204968.db2.gz PXONAPXUTCXIAQ-HZPDHXFCSA-N 1 0 417.510 -0.293 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672164814 1069205016 /nfs/dbraw/zinc/20/50/16/1069205016.db2.gz PXONAPXUTCXIAQ-JKSUJKDBSA-N 1 0 417.510 -0.293 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000672164855 1069205081 /nfs/dbraw/zinc/20/50/81/1069205081.db2.gz ZXIUOBRUJXNXHD-DOTOQJQBSA-N 1 0 403.483 -0.080 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000672164856 1069204991 /nfs/dbraw/zinc/20/49/91/1069204991.db2.gz ZXIUOBRUJXNXHD-NVXWUHKLSA-N 1 0 403.483 -0.080 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000672164857 1069204881 /nfs/dbraw/zinc/20/48/81/1069204881.db2.gz ZXIUOBRUJXNXHD-RDJZCZTQSA-N 1 0 403.483 -0.080 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000672164858 1069205622 /nfs/dbraw/zinc/20/56/22/1069205622.db2.gz ZXIUOBRUJXNXHD-WBVHZDCISA-N 1 0 403.483 -0.080 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC[C@H]([NH+]3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000672167211 1069206673 /nfs/dbraw/zinc/20/66/73/1069206673.db2.gz QLVKBMFYATYAFT-BPAMBQHCSA-N 1 0 404.471 -0.498 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCC[C@@H]([NH+]3CCCC3)C2)[C@H](O)[C@@H]1O ZINC000672167212 1069206694 /nfs/dbraw/zinc/20/66/94/1069206694.db2.gz QLVKBMFYATYAFT-BYMDKACISA-N 1 0 404.471 -0.498 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672168828 1069206623 /nfs/dbraw/zinc/20/66/23/1069206623.db2.gz XAKQGKCWPSCFKA-DOTOQJQBSA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672168829 1069206475 /nfs/dbraw/zinc/20/64/75/1069206475.db2.gz XAKQGKCWPSCFKA-NVXWUHKLSA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672168830 1069206372 /nfs/dbraw/zinc/20/63/72/1069206372.db2.gz XAKQGKCWPSCFKA-RDJZCZTQSA-N 1 0 403.531 -0.356 20 0 HBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000672168831 1069206653 /nfs/dbraw/zinc/20/66/53/1069206653.db2.gz XAKQGKCWPSCFKA-WBVHZDCISA-N 1 0 403.531 -0.356 20 0 HBADRO CC(C)Nc1nc(NCCN2CCN(S(C)(=O)=O)CC2)nc(NCCO)[nH+]1 ZINC000672187621 1069208268 /nfs/dbraw/zinc/20/82/68/1069208268.db2.gz JCTQQQMXFDDENL-UHFFFAOYSA-N 1 0 402.525 -0.915 20 0 HBADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](O)[C@@H]1O ZINC000672204350 1069210182 /nfs/dbraw/zinc/21/01/82/1069210182.db2.gz NSEYZQCPCZWGOM-SCFUHWHPSA-N 1 0 410.394 -0.238 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000672224899 1069211922 /nfs/dbraw/zinc/21/19/22/1069211922.db2.gz WVGAWFZGJKYPRN-HNNXBMFYSA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000672224900 1069212006 /nfs/dbraw/zinc/21/20/06/1069212006.db2.gz WVGAWFZGJKYPRN-OAHLLOKOSA-N 1 0 402.495 -0.004 20 0 HBADRO CN1C(=O)CC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CCC(=O)N1C)CC[NH+]1CCCCC1 ZINC000672246062 1069214209 /nfs/dbraw/zinc/21/42/09/1069214209.db2.gz CDWUPXFFRXBNKM-DLBZAZTESA-N 1 0 421.542 -0.341 20 0 HBADRO CN1C(=O)CC[C@@H]1C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)N1C ZINC000672246063 1069214398 /nfs/dbraw/zinc/21/43/98/1069214398.db2.gz CDWUPXFFRXBNKM-IAGOWNOFSA-N 1 0 421.542 -0.341 20 0 HBADRO CN1C(=O)CC[C@H]1C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)N1C ZINC000672246064 1069214347 /nfs/dbraw/zinc/21/43/47/1069214347.db2.gz CDWUPXFFRXBNKM-IRXDYDNUSA-N 1 0 421.542 -0.341 20 0 HBADRO CN1C(=O)CC[C@@H]1C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)N1C ZINC000672246065 1069215009 /nfs/dbraw/zinc/21/50/09/1069215009.db2.gz CDWUPXFFRXBNKM-SJORKVTESA-N 1 0 421.542 -0.341 20 0 HBADRO CN1CC[C@@H](C(=O)N(CCNC(=O)[C@@H]2CCN(C)C2=O)CC[NH+]2CCCCC2)C1=O ZINC000672246069 1069214850 /nfs/dbraw/zinc/21/48/50/1069214850.db2.gz CSAFRSWRBKORPC-DLBZAZTESA-N 1 0 421.542 -0.626 20 0 HBADRO CN1CC[C@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC000672246070 1069214903 /nfs/dbraw/zinc/21/49/03/1069214903.db2.gz CSAFRSWRBKORPC-IAGOWNOFSA-N 1 0 421.542 -0.626 20 0 HBADRO CN1CC[C@@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@H]2CCN(C)C2=O)C1=O ZINC000672246071 1069214966 /nfs/dbraw/zinc/21/49/66/1069214966.db2.gz CSAFRSWRBKORPC-IRXDYDNUSA-N 1 0 421.542 -0.626 20 0 HBADRO CN1CC[C@H](C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)[C@H]2CCN(C)C2=O)C1=O ZINC000672246072 1069215018 /nfs/dbraw/zinc/21/50/18/1069215018.db2.gz CSAFRSWRBKORPC-SJORKVTESA-N 1 0 421.542 -0.626 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CCCC(=O)N1 ZINC000672246163 1069213779 /nfs/dbraw/zinc/21/37/79/1069213779.db2.gz TUDCQJUWPSFMAA-DLBZAZTESA-N 1 0 421.542 -0.246 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC(=O)N1)[C@@H]1CCCC(=O)N1 ZINC000672246164 1069213724 /nfs/dbraw/zinc/21/37/24/1069213724.db2.gz TUDCQJUWPSFMAA-IRXDYDNUSA-N 1 0 421.542 -0.246 20 0 HBADRO O=C(NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC(=O)N1)[C@H]1CCCC(=O)N1 ZINC000672246165 1069213594 /nfs/dbraw/zinc/21/35/94/1069213594.db2.gz TUDCQJUWPSFMAA-SJORKVTESA-N 1 0 421.542 -0.246 20 0 HBADRO Cn1ncc(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)c2cnn(C)c2N)c1N ZINC000672246200 1069213634 /nfs/dbraw/zinc/21/36/34/1069213634.db2.gz ZYUFYUOYTLZLCG-UHFFFAOYSA-N 1 0 417.518 -0.324 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H](CO)C3)c2)C1 ZINC000672247359 1069214187 /nfs/dbraw/zinc/21/41/87/1069214187.db2.gz ZTZHSOPABNOYRA-MSOLQXFVSA-N 1 0 402.495 -0.159 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H](CO)C3)c2)C1 ZINC000672247360 1069214427 /nfs/dbraw/zinc/21/44/27/1069214427.db2.gz ZTZHSOPABNOYRA-QZTJIDSGSA-N 1 0 402.495 -0.159 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H](CO)C3)c2)C1 ZINC000672247361 1069214162 /nfs/dbraw/zinc/21/41/62/1069214162.db2.gz ZTZHSOPABNOYRA-ROUUACIJSA-N 1 0 402.495 -0.159 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H](CO)C3)c2)C1 ZINC000672247362 1069214266 /nfs/dbraw/zinc/21/42/66/1069214266.db2.gz ZTZHSOPABNOYRA-ZWKOTPCHSA-N 1 0 402.495 -0.159 20 0 HBADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000672256632 1069215048 /nfs/dbraw/zinc/21/50/48/1069215048.db2.gz JKZJDPMETYNBKB-INIZCTEOSA-N 1 0 412.512 -0.477 20 0 HBADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000672256633 1069214942 /nfs/dbraw/zinc/21/49/42/1069214942.db2.gz JKZJDPMETYNBKB-MRXNPFEDSA-N 1 0 412.512 -0.477 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000672257052 1069214886 /nfs/dbraw/zinc/21/48/86/1069214886.db2.gz OPENWRWYUFVJIV-GOSISDBHSA-N 1 0 412.531 -0.301 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000672257053 1069215008 /nfs/dbraw/zinc/21/50/08/1069215008.db2.gz OPENWRWYUFVJIV-SFHVURJKSA-N 1 0 412.531 -0.301 20 0 HBADRO CCN(C)C(=O)CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301422 1069219625 /nfs/dbraw/zinc/21/96/25/1069219625.db2.gz MFAOFOZWEISELK-UHFFFAOYSA-N 1 0 405.503 -0.911 20 0 HBADRO Cc1cc(CNC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH]n1 ZINC000672301499 1069219412 /nfs/dbraw/zinc/21/94/12/1069219412.db2.gz VBNHUIIIGOPFJP-UHFFFAOYSA-N 1 0 400.487 -0.157 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672301502 1069219307 /nfs/dbraw/zinc/21/93/07/1069219307.db2.gz YABGCNCBULRQAJ-UHFFFAOYSA-N 1 0 412.498 -0.197 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301525 1069219568 /nfs/dbraw/zinc/21/95/68/1069219568.db2.gz ISBBKEGEYUQWKO-INIZCTEOSA-N 1 0 417.514 -0.768 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301526 1069219381 /nfs/dbraw/zinc/21/93/81/1069219381.db2.gz ISBBKEGEYUQWKO-MRXNPFEDSA-N 1 0 417.514 -0.768 20 0 HBADRO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301558 1069219609 /nfs/dbraw/zinc/21/96/09/1069219609.db2.gz BDWHMBRKEVETPB-KRWDZBQOSA-N 1 0 404.515 -0.276 20 0 HBADRO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301559 1069219132 /nfs/dbraw/zinc/21/91/32/1069219132.db2.gz BDWHMBRKEVETPB-QGZVFWFLSA-N 1 0 404.515 -0.276 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672304137 1069219521 /nfs/dbraw/zinc/21/95/21/1069219521.db2.gz JBZCYSBFWBSEOG-IBGZPJMESA-N 1 0 419.570 -0.010 20 0 HBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672304138 1069219022 /nfs/dbraw/zinc/21/90/22/1069219022.db2.gz JBZCYSBFWBSEOG-LJQANCHMSA-N 1 0 419.570 -0.010 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)no1 ZINC000672304673 1069218685 /nfs/dbraw/zinc/21/86/85/1069218685.db2.gz GIPXDHWCETUTDV-INIZCTEOSA-N 1 0 418.498 -0.334 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)no1 ZINC000672304674 1069218612 /nfs/dbraw/zinc/21/86/12/1069218612.db2.gz GIPXDHWCETUTDV-MRXNPFEDSA-N 1 0 418.498 -0.334 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000672305861 1069219340 /nfs/dbraw/zinc/21/93/40/1069219340.db2.gz HCKRBWJYGNYUGU-CVEARBPZSA-N 1 0 402.499 -0.372 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000672305862 1069219481 /nfs/dbraw/zinc/21/94/81/1069219481.db2.gz HCKRBWJYGNYUGU-HOTGVXAUSA-N 1 0 402.499 -0.372 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000672305863 1069219262 /nfs/dbraw/zinc/21/92/62/1069219262.db2.gz HCKRBWJYGNYUGU-HZPDHXFCSA-N 1 0 402.499 -0.372 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000672305864 1069219102 /nfs/dbraw/zinc/21/91/02/1069219102.db2.gz HCKRBWJYGNYUGU-JKSUJKDBSA-N 1 0 402.499 -0.372 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1c1nccn2cnnc12 ZINC000672306265 1069220134 /nfs/dbraw/zinc/22/01/34/1069220134.db2.gz ZEXREWPBAJTNDN-GDBMZVCRSA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1c1nccn2cnnc12 ZINC000672306266 1069220238 /nfs/dbraw/zinc/22/02/38/1069220238.db2.gz ZEXREWPBAJTNDN-GOEBONIOSA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1c1nccn2cnnc12 ZINC000672306267 1069220339 /nfs/dbraw/zinc/22/03/39/1069220339.db2.gz ZEXREWPBAJTNDN-HOCLYGCPSA-N 1 0 412.498 -0.238 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1c1nccn2cnnc12 ZINC000672306268 1069219927 /nfs/dbraw/zinc/21/99/27/1069219927.db2.gz ZEXREWPBAJTNDN-ZBFHGGJFSA-N 1 0 412.498 -0.238 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306739 1069220460 /nfs/dbraw/zinc/22/04/60/1069220460.db2.gz WPWSDHILXUXVMP-AEFFLSMTSA-N 1 0 423.558 -0.728 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306740 1069220275 /nfs/dbraw/zinc/22/02/75/1069220275.db2.gz WPWSDHILXUXVMP-FUHWJXTLSA-N 1 0 423.558 -0.728 20 0 HBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306741 1069220021 /nfs/dbraw/zinc/22/00/21/1069220021.db2.gz WPWSDHILXUXVMP-SJLPKXTDSA-N 1 0 423.558 -0.728 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306742 1069220205 /nfs/dbraw/zinc/22/02/05/1069220205.db2.gz WPWSDHILXUXVMP-WMZOPIPTSA-N 1 0 423.558 -0.728 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672307665 1069219084 /nfs/dbraw/zinc/21/90/84/1069219084.db2.gz IUSMXGXEXCQRGO-AWEZNQCLSA-N 1 0 404.558 -0.918 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672307666 1069219224 /nfs/dbraw/zinc/21/92/24/1069219224.db2.gz IUSMXGXEXCQRGO-CQSZACIVSA-N 1 0 404.558 -0.918 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672307884 1069220494 /nfs/dbraw/zinc/22/04/94/1069220494.db2.gz QOOCLSIXTSRBNL-AEFFLSMTSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672307885 1069220174 /nfs/dbraw/zinc/22/01/74/1069220174.db2.gz QOOCLSIXTSRBNL-FUHWJXTLSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672307886 1069219891 /nfs/dbraw/zinc/21/98/91/1069219891.db2.gz QOOCLSIXTSRBNL-SJLPKXTDSA-N 1 0 405.543 -0.258 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672307887 1069220308 /nfs/dbraw/zinc/22/03/08/1069220308.db2.gz QOOCLSIXTSRBNL-WMZOPIPTSA-N 1 0 405.543 -0.258 20 0 HBADRO CCOC1CC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)(N2CCOCC2)C1 ZINC000672309090 1069219978 /nfs/dbraw/zinc/21/99/78/1069219978.db2.gz GMBNEPSNTXGFDO-MPQSDHOMSA-N 1 0 408.543 -0.027 20 0 HBADRO CCOC1CC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)(N2CCOCC2)C1 ZINC000672309092 1069220431 /nfs/dbraw/zinc/22/04/31/1069220431.db2.gz GMBNEPSNTXGFDO-XPQZIERPSA-N 1 0 408.543 -0.027 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309097 1069220060 /nfs/dbraw/zinc/22/00/60/1069220060.db2.gz KIEUUONTPMITMB-HNNXBMFYSA-N 1 0 412.498 -0.388 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309101 1069220382 /nfs/dbraw/zinc/22/03/82/1069220382.db2.gz KIEUUONTPMITMB-OAHLLOKOSA-N 1 0 412.498 -0.388 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309512 1069220789 /nfs/dbraw/zinc/22/07/89/1069220789.db2.gz VLZYTXKGRXSYEQ-HNNXBMFYSA-N 1 0 400.483 -0.570 20 0 HBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309513 1069221343 /nfs/dbraw/zinc/22/13/43/1069221343.db2.gz VLZYTXKGRXSYEQ-OAHLLOKOSA-N 1 0 400.483 -0.570 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309538 1069221293 /nfs/dbraw/zinc/22/12/93/1069221293.db2.gz WLIPRTHKPDDYNC-GOSISDBHSA-N 1 0 405.543 -0.401 20 0 HBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309539 1069220825 /nfs/dbraw/zinc/22/08/25/1069220825.db2.gz WLIPRTHKPDDYNC-SFHVURJKSA-N 1 0 405.543 -0.401 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1)N1CCCCC1 ZINC000672309706 1069221036 /nfs/dbraw/zinc/22/10/36/1069221036.db2.gz RCDZFSYWALUNEB-GOSISDBHSA-N 1 0 405.543 -0.256 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1)N1CCCCC1 ZINC000672309707 1069221407 /nfs/dbraw/zinc/22/14/07/1069221407.db2.gz RCDZFSYWALUNEB-SFHVURJKSA-N 1 0 405.543 -0.256 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)n1 ZINC000672309730 1069220878 /nfs/dbraw/zinc/22/08/78/1069220878.db2.gz SFYPFXMBDZPHJL-HNNXBMFYSA-N 1 0 406.487 -0.539 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)n1 ZINC000672309731 1069221267 /nfs/dbraw/zinc/22/12/67/1069221267.db2.gz SFYPFXMBDZPHJL-OAHLLOKOSA-N 1 0 406.487 -0.539 20 0 HBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310633 1069221432 /nfs/dbraw/zinc/22/14/32/1069221432.db2.gz BUQMUSOHTMVWNC-CVEARBPZSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310634 1069221371 /nfs/dbraw/zinc/22/13/71/1069221371.db2.gz BUQMUSOHTMVWNC-HOTGVXAUSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310635 1069221141 /nfs/dbraw/zinc/22/11/41/1069221141.db2.gz BUQMUSOHTMVWNC-HZPDHXFCSA-N 1 0 400.545 -0.093 20 0 HBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310636 1069220925 /nfs/dbraw/zinc/22/09/25/1069220925.db2.gz BUQMUSOHTMVWNC-JKSUJKDBSA-N 1 0 400.545 -0.093 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)nc1 ZINC000672311988 1069221080 /nfs/dbraw/zinc/22/10/80/1069221080.db2.gz YGIDHKOXSWLETF-INIZCTEOSA-N 1 0 400.483 -0.570 20 0 HBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)nc1 ZINC000672311989 1069221391 /nfs/dbraw/zinc/22/13/91/1069221391.db2.gz YGIDHKOXSWLETF-MRXNPFEDSA-N 1 0 400.483 -0.570 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672312200 1069221201 /nfs/dbraw/zinc/22/12/01/1069221201.db2.gz ZCZNUQNZSPJIBC-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672312201 1069220959 /nfs/dbraw/zinc/22/09/59/1069220959.db2.gz ZCZNUQNZSPJIBC-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)N1CCOCC1 ZINC000672319273 1069222736 /nfs/dbraw/zinc/22/27/36/1069222736.db2.gz NNXOFXQRCALDPI-JENIJYKNSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)N1CCOCC1 ZINC000672319274 1069222644 /nfs/dbraw/zinc/22/26/44/1069222644.db2.gz NNXOFXQRCALDPI-LNLFQRSKSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000672319275 1069222543 /nfs/dbraw/zinc/22/25/43/1069222543.db2.gz NNXOFXQRCALDPI-SCTDSRPQSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCOCC1 ZINC000672319276 1069222397 /nfs/dbraw/zinc/22/23/97/1069222397.db2.gz NNXOFXQRCALDPI-YQVWRLOYSA-N 1 0 409.575 -0.161 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCCC1 ZINC000672330370 1069223177 /nfs/dbraw/zinc/22/31/77/1069223177.db2.gz ZCTQLLXFBUVEED-UHFFFAOYSA-N 1 0 423.539 -0.095 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1=O ZINC000672330924 1069223330 /nfs/dbraw/zinc/22/33/30/1069223330.db2.gz AXXLCVBJKOIRFO-HNNXBMFYSA-N 1 0 402.499 -0.438 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1=O ZINC000672330925 1069223071 /nfs/dbraw/zinc/22/30/71/1069223071.db2.gz AXXLCVBJKOIRFO-OAHLLOKOSA-N 1 0 402.499 -0.438 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672351784 1069224406 /nfs/dbraw/zinc/22/44/06/1069224406.db2.gz KGZQACLJPODLEO-AWEZNQCLSA-N 1 0 406.574 -0.576 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672351785 1069224284 /nfs/dbraw/zinc/22/42/84/1069224284.db2.gz KGZQACLJPODLEO-CQSZACIVSA-N 1 0 406.574 -0.576 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000672352113 1069223839 /nfs/dbraw/zinc/22/38/39/1069223839.db2.gz CJIDUPDJUMTFET-AWEZNQCLSA-N 1 0 406.574 -0.528 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000672352114 1069223902 /nfs/dbraw/zinc/22/39/02/1069223902.db2.gz CJIDUPDJUMTFET-CQSZACIVSA-N 1 0 406.574 -0.528 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352123 1069223824 /nfs/dbraw/zinc/22/38/24/1069223824.db2.gz FWDKZXOAAFLZIC-KBPBESRZSA-N 1 0 406.574 -0.530 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352124 1069223770 /nfs/dbraw/zinc/22/37/70/1069223770.db2.gz FWDKZXOAAFLZIC-KGLIPLIRSA-N 1 0 406.574 -0.530 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352125 1069223941 /nfs/dbraw/zinc/22/39/41/1069223941.db2.gz FWDKZXOAAFLZIC-UONOGXRCSA-N 1 0 406.574 -0.530 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352126 1069223877 /nfs/dbraw/zinc/22/38/77/1069223877.db2.gz FWDKZXOAAFLZIC-ZIAGYGMSSA-N 1 0 406.574 -0.530 20 0 HBADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352313 1069224333 /nfs/dbraw/zinc/22/43/33/1069224333.db2.gz QCZKAROJXQLYBJ-AWEZNQCLSA-N 1 0 406.574 -0.530 20 0 HBADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000672352314 1069224224 /nfs/dbraw/zinc/22/42/24/1069224224.db2.gz QCZKAROJXQLYBJ-CQSZACIVSA-N 1 0 406.574 -0.530 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672352324 1069224382 /nfs/dbraw/zinc/22/43/82/1069224382.db2.gz YUHOYACZTJWLJR-HNNXBMFYSA-N 1 0 418.585 -0.432 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672352325 1069224148 /nfs/dbraw/zinc/22/41/48/1069224148.db2.gz YUHOYACZTJWLJR-OAHLLOKOSA-N 1 0 418.585 -0.432 20 0 HBADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000672352352 1069224907 /nfs/dbraw/zinc/22/49/07/1069224907.db2.gz LLTXUCXPKCIDHU-UHFFFAOYSA-N 1 0 406.574 -0.530 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672357921 1069224869 /nfs/dbraw/zinc/22/48/69/1069224869.db2.gz MIMPIOQSLNAPBZ-CABCVRRESA-N 1 0 403.483 -0.683 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672357922 1069224781 /nfs/dbraw/zinc/22/47/81/1069224781.db2.gz MIMPIOQSLNAPBZ-GJZGRUSLSA-N 1 0 403.483 -0.683 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672357923 1069225203 /nfs/dbraw/zinc/22/52/03/1069225203.db2.gz MIMPIOQSLNAPBZ-HUUCEWRRSA-N 1 0 403.483 -0.683 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672357924 1069225037 /nfs/dbraw/zinc/22/50/37/1069225037.db2.gz MIMPIOQSLNAPBZ-LSDHHAIUSA-N 1 0 403.483 -0.683 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000672358092 1069224745 /nfs/dbraw/zinc/22/47/45/1069224745.db2.gz UZLKUOUOPAEKPT-AEFFLSMTSA-N 1 0 423.558 -0.585 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000672358093 1069225167 /nfs/dbraw/zinc/22/51/67/1069225167.db2.gz UZLKUOUOPAEKPT-FUHWJXTLSA-N 1 0 423.558 -0.585 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000672358094 1069225081 /nfs/dbraw/zinc/22/50/81/1069225081.db2.gz UZLKUOUOPAEKPT-SJLPKXTDSA-N 1 0 423.558 -0.585 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000672358095 1069224828 /nfs/dbraw/zinc/22/48/28/1069224828.db2.gz UZLKUOUOPAEKPT-WMZOPIPTSA-N 1 0 423.558 -0.585 20 0 HBADRO CCOC1CC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)(N2CCOCC2)C1 ZINC000672358188 1069224922 /nfs/dbraw/zinc/22/49/22/1069224922.db2.gz NNQJFIZBJZGHNK-VXESANQCSA-N 1 0 412.531 -0.791 20 0 HBADRO CCOC1CC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)(N2CCOCC2)C1 ZINC000672358189 1069225255 /nfs/dbraw/zinc/22/52/55/1069225255.db2.gz NNQJFIZBJZGHNK-ZRZPHAQCSA-N 1 0 412.531 -0.791 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672358480 1069226762 /nfs/dbraw/zinc/22/67/62/1069226762.db2.gz DTVPZZHXOPAUBW-HNNXBMFYSA-N 1 0 412.512 -0.465 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000672358481 1069226499 /nfs/dbraw/zinc/22/64/99/1069226499.db2.gz DTVPZZHXOPAUBW-OAHLLOKOSA-N 1 0 412.512 -0.465 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000672358599 1069226633 /nfs/dbraw/zinc/22/66/33/1069226633.db2.gz FDTCQEKGVJZYNT-INIZCTEOSA-N 1 0 424.523 -0.320 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000672358600 1069226812 /nfs/dbraw/zinc/22/68/12/1069226812.db2.gz FDTCQEKGVJZYNT-MRXNPFEDSA-N 1 0 424.523 -0.320 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427531 1069232819 /nfs/dbraw/zinc/23/28/19/1069232819.db2.gz MMLBOZDBFDUYMA-CVEARBPZSA-N 1 0 416.592 -0.275 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672427532 1069232628 /nfs/dbraw/zinc/23/26/28/1069232628.db2.gz MMLBOZDBFDUYMA-HZPDHXFCSA-N 1 0 416.592 -0.275 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458106 1069239671 /nfs/dbraw/zinc/23/96/71/1069239671.db2.gz IOSKYMSCLRYXNZ-HNNXBMFYSA-N 1 0 405.499 -0.483 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458107 1069239439 /nfs/dbraw/zinc/23/94/39/1069239439.db2.gz IOSKYMSCLRYXNZ-OAHLLOKOSA-N 1 0 405.499 -0.483 20 0 HBADRO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460584 1069236500 /nfs/dbraw/zinc/23/65/00/1069236500.db2.gz CRPFWDJPGBDKCX-CVEARBPZSA-N 1 0 423.480 -0.045 20 0 HBADRO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460585 1069236343 /nfs/dbraw/zinc/23/63/43/1069236343.db2.gz CRPFWDJPGBDKCX-HOTGVXAUSA-N 1 0 423.480 -0.045 20 0 HBADRO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460586 1069236428 /nfs/dbraw/zinc/23/64/28/1069236428.db2.gz CRPFWDJPGBDKCX-HZPDHXFCSA-N 1 0 423.480 -0.045 20 0 HBADRO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460587 1069236619 /nfs/dbraw/zinc/23/66/19/1069236619.db2.gz CRPFWDJPGBDKCX-JKSUJKDBSA-N 1 0 423.480 -0.045 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460746 1069236029 /nfs/dbraw/zinc/23/60/29/1069236029.db2.gz QETUSJKNMGMXPG-DLBZAZTESA-N 1 0 417.576 -0.542 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460748 1069235842 /nfs/dbraw/zinc/23/58/42/1069235842.db2.gz QETUSJKNMGMXPG-IAGOWNOFSA-N 1 0 417.576 -0.542 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460749 1069235662 /nfs/dbraw/zinc/23/56/62/1069235662.db2.gz QETUSJKNMGMXPG-IRXDYDNUSA-N 1 0 417.576 -0.542 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460750 1069235590 /nfs/dbraw/zinc/23/55/90/1069235590.db2.gz QETUSJKNMGMXPG-SJORKVTESA-N 1 0 417.576 -0.542 20 0 HBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460814 1069235699 /nfs/dbraw/zinc/23/56/99/1069235699.db2.gz UNGRPUIWGMIXRR-DLBZAZTESA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460819 1069235791 /nfs/dbraw/zinc/23/57/91/1069235791.db2.gz UNGRPUIWGMIXRR-IAGOWNOFSA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460820 1069235904 /nfs/dbraw/zinc/23/59/04/1069235904.db2.gz UNGRPUIWGMIXRR-IRXDYDNUSA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672460822 1069235616 /nfs/dbraw/zinc/23/56/16/1069235616.db2.gz UNGRPUIWGMIXRR-SJORKVTESA-N 1 0 417.576 -0.494 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000672460857 1069235943 /nfs/dbraw/zinc/23/59/43/1069235943.db2.gz YJOZZHATUPVKMR-IAGOWNOFSA-N 1 0 417.576 -0.542 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000672460858 1069236314 /nfs/dbraw/zinc/23/63/14/1069236314.db2.gz YJOZZHATUPVKMR-SJORKVTESA-N 1 0 417.576 -0.542 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000672460859 1069236534 /nfs/dbraw/zinc/23/65/34/1069236534.db2.gz YPENKMFBIZEDGM-AWEZNQCLSA-N 1 0 407.437 -0.191 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000672460860 1069236274 /nfs/dbraw/zinc/23/62/74/1069236274.db2.gz YPENKMFBIZEDGM-CQSZACIVSA-N 1 0 407.437 -0.191 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1C)C(=O)[C@@H]1CCC(=O)N1C ZINC000672466503 1069239963 /nfs/dbraw/zinc/23/99/63/1069239963.db2.gz IHNAKFLMVKLFKQ-DLBZAZTESA-N 1 0 421.542 -0.389 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1C)C(=O)[C@H]1CCC(=O)N1C ZINC000672466504 1069239948 /nfs/dbraw/zinc/23/99/48/1069239948.db2.gz IHNAKFLMVKLFKQ-IAGOWNOFSA-N 1 0 421.542 -0.389 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1C)C(=O)[C@@H]1CCC(=O)N1C ZINC000672466505 1069240122 /nfs/dbraw/zinc/24/01/22/1069240122.db2.gz IHNAKFLMVKLFKQ-IRXDYDNUSA-N 1 0 421.542 -0.389 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1C)C(=O)[C@H]1CCC(=O)N1C ZINC000672466506 1069240180 /nfs/dbraw/zinc/24/01/80/1069240180.db2.gz IHNAKFLMVKLFKQ-SJORKVTESA-N 1 0 421.542 -0.389 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000672466510 1069240003 /nfs/dbraw/zinc/24/00/03/1069240003.db2.gz ITRCRYQOXOCDGI-DLBZAZTESA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000672466511 1069240081 /nfs/dbraw/zinc/24/00/81/1069240081.db2.gz ITRCRYQOXOCDGI-IAGOWNOFSA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000672466512 1069240137 /nfs/dbraw/zinc/24/01/37/1069240137.db2.gz ITRCRYQOXOCDGI-IRXDYDNUSA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000672466513 1069240067 /nfs/dbraw/zinc/24/00/67/1069240067.db2.gz ITRCRYQOXOCDGI-SJORKVTESA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)c1nccnc1N)C(=O)c1nccnc1N ZINC000672466599 1069240045 /nfs/dbraw/zinc/24/00/45/1069240045.db2.gz SVSUPVMQMOHAQR-UHFFFAOYSA-N 1 0 413.486 -0.259 20 0 HBADRO CNC(=O)C1(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)C2(C(=O)NC)CC2)CC1 ZINC000672466602 1069240158 /nfs/dbraw/zinc/24/01/58/1069240158.db2.gz UALCGIFWGBJDDG-UHFFFAOYSA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)CN1CCCC1=O)C(=O)CN1CCCC1=O ZINC000672466643 1069240118 /nfs/dbraw/zinc/24/01/18/1069240118.db2.gz YMURXITZFYCSHP-UHFFFAOYSA-N 1 0 421.542 -0.386 20 0 HBADRO CC(=O)N1CC(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)C2CN(C(C)=O)C2)C1 ZINC000672466754 1069239461 /nfs/dbraw/zinc/23/94/61/1069239461.db2.gz BLNZSEXBUFOXCY-UHFFFAOYSA-N 1 0 421.542 -0.674 20 0 HBADRO Cc1c(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)c2nnn(C)c2C)nnn1C ZINC000672466762 1069239416 /nfs/dbraw/zinc/23/94/16/1069239416.db2.gz BWRXPMLFSYLDEE-UHFFFAOYSA-N 1 0 417.518 -0.129 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)NC1)C(=O)[C@H]1CCC(=O)NC1 ZINC000672466766 1069239452 /nfs/dbraw/zinc/23/94/52/1069239452.db2.gz CBBIQGZUFPRSBW-DLBZAZTESA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)NC1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000672466767 1069239616 /nfs/dbraw/zinc/23/96/16/1069239616.db2.gz CBBIQGZUFPRSBW-IAGOWNOFSA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)NC1)C(=O)[C@H]1CCC(=O)NC1 ZINC000672466768 1069239403 /nfs/dbraw/zinc/23/94/03/1069239403.db2.gz CBBIQGZUFPRSBW-IRXDYDNUSA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)NC1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000672466769 1069239519 /nfs/dbraw/zinc/23/95/19/1069239519.db2.gz CBBIQGZUFPRSBW-SJORKVTESA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCNC(=O)C1)C(=O)[C@H]1CCNC(=O)C1 ZINC000672466792 1069239361 /nfs/dbraw/zinc/23/93/61/1069239361.db2.gz DRPPPZRSVRAUPT-DLBZAZTESA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCNC(=O)C1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000672466793 1069239547 /nfs/dbraw/zinc/23/95/47/1069239547.db2.gz DRPPPZRSVRAUPT-IAGOWNOFSA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCNC(=O)C1)C(=O)[C@H]1CCNC(=O)C1 ZINC000672466794 1069239497 /nfs/dbraw/zinc/23/94/97/1069239497.db2.gz DRPPPZRSVRAUPT-IRXDYDNUSA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCNC(=O)C1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000672466795 1069240102 /nfs/dbraw/zinc/24/01/02/1069240102.db2.gz DRPPPZRSVRAUPT-SJORKVTESA-N 1 0 421.542 -0.578 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCN(C)C1=O ZINC000672467050 1069239488 /nfs/dbraw/zinc/23/94/88/1069239488.db2.gz PSUHGDNPZGDOTQ-DLBZAZTESA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC000672467051 1069239431 /nfs/dbraw/zinc/23/94/31/1069239431.db2.gz PSUHGDNPZGDOTQ-IAGOWNOFSA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCN(C)C1=O ZINC000672467052 1069239484 /nfs/dbraw/zinc/23/94/84/1069239484.db2.gz PSUHGDNPZGDOTQ-IRXDYDNUSA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC000672467053 1069239602 /nfs/dbraw/zinc/23/96/02/1069239602.db2.gz PSUHGDNPZGDOTQ-SJORKVTESA-N 1 0 421.542 -0.674 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCC(=O)N1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000672467526 1069240032 /nfs/dbraw/zinc/24/00/32/1069240032.db2.gz YRTRLCAEDSBOJY-DLBZAZTESA-N 1 0 421.542 -0.293 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCC(=O)N1)C(=O)[C@H]1CCCC(=O)N1 ZINC000672467527 1069240198 /nfs/dbraw/zinc/24/01/98/1069240198.db2.gz YRTRLCAEDSBOJY-IAGOWNOFSA-N 1 0 421.542 -0.293 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCC(=O)N1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000672467528 1069239977 /nfs/dbraw/zinc/23/99/77/1069239977.db2.gz YRTRLCAEDSBOJY-IRXDYDNUSA-N 1 0 421.542 -0.293 20 0 HBADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCC(=O)N1)C(=O)[C@H]1CCCC(=O)N1 ZINC000672467529 1069240090 /nfs/dbraw/zinc/24/00/90/1069240090.db2.gz YRTRLCAEDSBOJY-SJORKVTESA-N 1 0 421.542 -0.293 20 0 HBADRO CN(c1ccc(CNC(=O)C(=O)NCCOCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000672510631 1069242703 /nfs/dbraw/zinc/24/27/03/1069242703.db2.gz GPDRKRBGOUMBST-UHFFFAOYSA-N 1 0 400.501 -0.607 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511059 1069242313 /nfs/dbraw/zinc/24/23/13/1069242313.db2.gz OGWVVBQKSRHPEW-UHFFFAOYSA-N 1 0 414.528 -0.265 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000672512907 1069243864 /nfs/dbraw/zinc/24/38/64/1069243864.db2.gz FZGIUHNIGWGDKA-GOSISDBHSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000672512908 1069243722 /nfs/dbraw/zinc/24/37/22/1069243722.db2.gz FZGIUHNIGWGDKA-SFHVURJKSA-N 1 0 423.558 -0.632 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000672513057 1069243756 /nfs/dbraw/zinc/24/37/56/1069243756.db2.gz XGIHWXJOJDPXAH-KRWDZBQOSA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000672513058 1069243912 /nfs/dbraw/zinc/24/39/12/1069243912.db2.gz XGIHWXJOJDPXAH-QGZVFWFLSA-N 1 0 416.526 -0.165 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000672513106 1069243706 /nfs/dbraw/zinc/24/37/06/1069243706.db2.gz QSAPANUATINETH-DLBZAZTESA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000672513107 1069244036 /nfs/dbraw/zinc/24/40/36/1069244036.db2.gz QSAPANUATINETH-IAGOWNOFSA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000672513108 1069243692 /nfs/dbraw/zinc/24/36/92/1069243692.db2.gz QSAPANUATINETH-IRXDYDNUSA-N 1 0 410.515 -0.548 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000672513109 1069243898 /nfs/dbraw/zinc/24/38/98/1069243898.db2.gz QSAPANUATINETH-SJORKVTESA-N 1 0 410.515 -0.548 20 0 HBADRO CCOCCN1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000672513235 1069243065 /nfs/dbraw/zinc/24/30/65/1069243065.db2.gz UQNZFKBFKFMQKO-UHFFFAOYSA-N 1 0 411.547 -0.774 20 0 HBADRO CCNC(=O)C1(CNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCC1 ZINC000672513288 1069243447 /nfs/dbraw/zinc/24/34/47/1069243447.db2.gz LCMWRGWTLKQYOL-UHFFFAOYSA-N 1 0 409.531 -0.532 20 0 HBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672513785 1069244333 /nfs/dbraw/zinc/24/43/33/1069244333.db2.gz HNYSEBOVKDDCDM-UHFFFAOYSA-N 1 0 402.499 -0.601 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000672519781 1069245802 /nfs/dbraw/zinc/24/58/02/1069245802.db2.gz BZDCYMLQGNCCQP-UHFFFAOYSA-N 1 0 406.549 -0.165 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000672524881 1069245571 /nfs/dbraw/zinc/24/55/71/1069245571.db2.gz UWEOPEJCRWZDQT-INIZCTEOSA-N 1 0 405.547 -0.271 20 0 HBADRO CN(C)c1ncc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000672524882 1069245465 /nfs/dbraw/zinc/24/54/65/1069245465.db2.gz UWEOPEJCRWZDQT-MRXNPFEDSA-N 1 0 405.547 -0.271 20 0 HBADRO Cn1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c2ccccc21 ZINC000672545791 1069246892 /nfs/dbraw/zinc/24/68/92/1069246892.db2.gz XGAKZYUEUYNCSD-GOSISDBHSA-N 1 0 412.494 -0.046 20 0 HBADRO Cn1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2ccccc21 ZINC000672545792 1069247010 /nfs/dbraw/zinc/24/70/10/1069247010.db2.gz XGAKZYUEUYNCSD-SFHVURJKSA-N 1 0 412.494 -0.046 20 0 HBADRO Cn1nc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2ccccc21 ZINC000672549788 1069247549 /nfs/dbraw/zinc/24/75/49/1069247549.db2.gz OFMBPLIRNLAXGE-UHFFFAOYSA-N 1 0 412.494 -0.044 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC[N@@H+]1C ZINC000672594147 1069249537 /nfs/dbraw/zinc/24/95/37/1069249537.db2.gz JMGQSZBPMMTGIN-BPLDGKMQSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC[N@@H+]1C ZINC000672594148 1069249590 /nfs/dbraw/zinc/24/95/90/1069249590.db2.gz JMGQSZBPMMTGIN-SNPRPXQTSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC[N@@H+]1C ZINC000672594149 1069249366 /nfs/dbraw/zinc/24/93/66/1069249366.db2.gz JMGQSZBPMMTGIN-VHDGCEQUSA-N 1 0 417.470 -0.031 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC[N@@H+]1C ZINC000672594150 1069249319 /nfs/dbraw/zinc/24/93/19/1069249319.db2.gz JMGQSZBPMMTGIN-YUELXQCFSA-N 1 0 417.470 -0.031 20 0 HBADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000672597040 1069249461 /nfs/dbraw/zinc/24/94/61/1069249461.db2.gz DECNAFWMMYOXHR-INIZCTEOSA-N 1 0 403.531 -0.389 20 0 HBADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000672597041 1069250101 /nfs/dbraw/zinc/25/01/01/1069250101.db2.gz DECNAFWMMYOXHR-MRXNPFEDSA-N 1 0 403.531 -0.389 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672597757 1069251177 /nfs/dbraw/zinc/25/11/77/1069251177.db2.gz HUYVPHLRNVQFFH-MOPGFXCFSA-N 1 0 409.575 -0.158 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672597758 1069250927 /nfs/dbraw/zinc/25/09/27/1069250927.db2.gz HUYVPHLRNVQFFH-OALUTQOASA-N 1 0 409.575 -0.158 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000672597759 1069251016 /nfs/dbraw/zinc/25/10/16/1069251016.db2.gz HUYVPHLRNVQFFH-RBUKOAKNSA-N 1 0 409.575 -0.158 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000672597760 1069250886 /nfs/dbraw/zinc/25/08/86/1069250886.db2.gz HUYVPHLRNVQFFH-RTBURBONSA-N 1 0 409.575 -0.158 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)C1 ZINC000672598414 1069249987 /nfs/dbraw/zinc/24/99/87/1069249987.db2.gz GJPPOMSDLMHAOV-SLFFLAALSA-N 1 0 421.586 -0.016 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)C1 ZINC000672598415 1069250344 /nfs/dbraw/zinc/25/03/44/1069250344.db2.gz GJPPOMSDLMHAOV-UFYCRDLUSA-N 1 0 421.586 -0.016 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)C1 ZINC000672598416 1069250467 /nfs/dbraw/zinc/25/04/67/1069250467.db2.gz GJPPOMSDLMHAOV-XUVXKRRUSA-N 1 0 421.586 -0.016 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)C1 ZINC000672598417 1069250182 /nfs/dbraw/zinc/25/01/82/1069250182.db2.gz GJPPOMSDLMHAOV-ZCNNSNEGSA-N 1 0 421.586 -0.016 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000672618719 1069250809 /nfs/dbraw/zinc/25/08/09/1069250809.db2.gz YWAOXIOSCPAUSP-BZSNNMDCSA-N 1 0 407.559 -0.012 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000672618720 1069251056 /nfs/dbraw/zinc/25/10/56/1069251056.db2.gz YWAOXIOSCPAUSP-KSZLIROESA-N 1 0 407.559 -0.012 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000672618721 1069250836 /nfs/dbraw/zinc/25/08/36/1069250836.db2.gz YWAOXIOSCPAUSP-KURKYZTESA-N 1 0 407.559 -0.012 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000672618722 1069250973 /nfs/dbraw/zinc/25/09/73/1069250973.db2.gz YWAOXIOSCPAUSP-SQNIBIBYSA-N 1 0 407.559 -0.012 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)C1 ZINC000672625536 1069251832 /nfs/dbraw/zinc/25/18/32/1069251832.db2.gz CIVYFEXFORVHLB-KBPBESRZSA-N 1 0 419.448 -0.496 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)C1 ZINC000672625537 1069251616 /nfs/dbraw/zinc/25/16/16/1069251616.db2.gz CIVYFEXFORVHLB-KGLIPLIRSA-N 1 0 419.448 -0.496 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)C1 ZINC000672625538 1069251640 /nfs/dbraw/zinc/25/16/40/1069251640.db2.gz CIVYFEXFORVHLB-UONOGXRCSA-N 1 0 419.448 -0.496 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)C1 ZINC000672625539 1069251549 /nfs/dbraw/zinc/25/15/49/1069251549.db2.gz CIVYFEXFORVHLB-ZIAGYGMSSA-N 1 0 419.448 -0.496 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625598 1069251567 /nfs/dbraw/zinc/25/15/67/1069251567.db2.gz KEHFNYGPSBRVPP-GXTWGEPZSA-N 1 0 419.448 -0.450 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625599 1069252124 /nfs/dbraw/zinc/25/21/24/1069252124.db2.gz KEHFNYGPSBRVPP-JSGCOSHPSA-N 1 0 419.448 -0.450 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625600 1069252219 /nfs/dbraw/zinc/25/22/19/1069252219.db2.gz KEHFNYGPSBRVPP-OCCSQVGLSA-N 1 0 419.448 -0.450 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625602 1069252406 /nfs/dbraw/zinc/25/24/06/1069252406.db2.gz KEHFNYGPSBRVPP-TZMCWYRMSA-N 1 0 419.448 -0.450 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672625974 1069252532 /nfs/dbraw/zinc/25/25/32/1069252532.db2.gz PZLGTEREMQSGHI-AWEZNQCLSA-N 1 0 420.432 -0.163 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672625978 1069252267 /nfs/dbraw/zinc/25/22/67/1069252267.db2.gz PZLGTEREMQSGHI-CQSZACIVSA-N 1 0 420.432 -0.163 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000672636996 1069253523 /nfs/dbraw/zinc/25/35/23/1069253523.db2.gz DGHWXFCRMNHRRE-HNNXBMFYSA-N 1 0 412.512 -0.562 20 0 HBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000672636997 1069253282 /nfs/dbraw/zinc/25/32/82/1069253282.db2.gz DGHWXFCRMNHRRE-OAHLLOKOSA-N 1 0 412.512 -0.562 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672637313 1069253350 /nfs/dbraw/zinc/25/33/50/1069253350.db2.gz DTERHOUNEPQJNZ-KRWDZBQOSA-N 1 0 415.542 -0.282 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672637314 1069253445 /nfs/dbraw/zinc/25/34/45/1069253445.db2.gz DTERHOUNEPQJNZ-QGZVFWFLSA-N 1 0 415.542 -0.282 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)CC1 ZINC000672637831 1069255889 /nfs/dbraw/zinc/25/58/89/1069255889.db2.gz FIWWXHBOTGJYDD-MSOLQXFVSA-N 1 0 407.559 -0.548 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)CC1 ZINC000672637832 1069255677 /nfs/dbraw/zinc/25/56/77/1069255677.db2.gz FIWWXHBOTGJYDD-QZTJIDSGSA-N 1 0 407.559 -0.548 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672637833 1069255205 /nfs/dbraw/zinc/25/52/05/1069255205.db2.gz FIWWXHBOTGJYDD-ROUUACIJSA-N 1 0 407.559 -0.548 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672637834 1069254893 /nfs/dbraw/zinc/25/48/93/1069254893.db2.gz FIWWXHBOTGJYDD-ZWKOTPCHSA-N 1 0 407.559 -0.548 20 0 HBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000672637978 1069254340 /nfs/dbraw/zinc/25/43/40/1069254340.db2.gz BNBUMQRLUMZTEY-GOSISDBHSA-N 1 0 415.538 -0.010 20 0 HBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000672637979 1069255796 /nfs/dbraw/zinc/25/57/96/1069255796.db2.gz BNBUMQRLUMZTEY-SFHVURJKSA-N 1 0 415.538 -0.010 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637981 1069254939 /nfs/dbraw/zinc/25/49/39/1069254939.db2.gz BPFWRAXKFDBHRH-KRWDZBQOSA-N 1 0 418.542 -0.088 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637983 1069255922 /nfs/dbraw/zinc/25/59/22/1069255922.db2.gz BPFWRAXKFDBHRH-QGZVFWFLSA-N 1 0 418.542 -0.088 20 0 HBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638012 1069255982 /nfs/dbraw/zinc/25/59/82/1069255982.db2.gz COHFGHHHMCYRBR-INIZCTEOSA-N 1 0 406.531 -0.320 20 0 HBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638013 1069255235 /nfs/dbraw/zinc/25/52/35/1069255235.db2.gz COHFGHHHMCYRBR-MRXNPFEDSA-N 1 0 406.531 -0.320 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638059 1069255504 /nfs/dbraw/zinc/25/55/04/1069255504.db2.gz QSQPWIYPDARABZ-HKUYNNGSSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638064 1069255265 /nfs/dbraw/zinc/25/52/65/1069255265.db2.gz QSQPWIYPDARABZ-IEBWSBKVSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638198 1069254091 /nfs/dbraw/zinc/25/40/91/1069254091.db2.gz QSQPWIYPDARABZ-MJGOQNOKSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638199 1069254408 /nfs/dbraw/zinc/25/44/08/1069254408.db2.gz QSQPWIYPDARABZ-PKOBYXMFSA-N 1 0 407.559 -0.406 20 0 HBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672638207 1069254546 /nfs/dbraw/zinc/25/45/46/1069254546.db2.gz QUQCZORAERPCDI-FGTMMUONSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672638215 1069254301 /nfs/dbraw/zinc/25/43/01/1069254301.db2.gz QUQCZORAERPCDI-KSZLIROESA-N 1 0 409.575 -0.161 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638254 1069254151 /nfs/dbraw/zinc/25/41/51/1069254151.db2.gz CSPDRDXRMMZRQF-AEFFLSMTSA-N 1 0 421.542 -0.879 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638259 1069253981 /nfs/dbraw/zinc/25/39/81/1069253981.db2.gz CSPDRDXRMMZRQF-FUHWJXTLSA-N 1 0 421.542 -0.879 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638260 1069254449 /nfs/dbraw/zinc/25/44/49/1069254449.db2.gz CSPDRDXRMMZRQF-SJLPKXTDSA-N 1 0 421.542 -0.879 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638261 1069254016 /nfs/dbraw/zinc/25/40/16/1069254016.db2.gz CSPDRDXRMMZRQF-WMZOPIPTSA-N 1 0 421.542 -0.879 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638406 1069254509 /nfs/dbraw/zinc/25/45/09/1069254509.db2.gz GSAFYFZJXGLRBV-CYBMUJFWSA-N 1 0 422.559 -0.946 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638413 1069254209 /nfs/dbraw/zinc/25/42/09/1069254209.db2.gz GSAFYFZJXGLRBV-ZDUSSCGKSA-N 1 0 422.559 -0.946 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638601 1069255318 /nfs/dbraw/zinc/25/53/18/1069255318.db2.gz SXWCIHVITVNCAB-INIZCTEOSA-N 1 0 407.559 -0.012 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638602 1069255053 /nfs/dbraw/zinc/25/50/53/1069255053.db2.gz SXWCIHVITVNCAB-MRXNPFEDSA-N 1 0 407.559 -0.012 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638859 1069258393 /nfs/dbraw/zinc/25/83/93/1069258393.db2.gz ZIKYDHKAVXSPDN-AEFFLSMTSA-N 1 0 405.543 -0.116 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638860 1069257406 /nfs/dbraw/zinc/25/74/06/1069257406.db2.gz ZIKYDHKAVXSPDN-FUHWJXTLSA-N 1 0 405.543 -0.116 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638861 1069258452 /nfs/dbraw/zinc/25/84/52/1069258452.db2.gz ZIKYDHKAVXSPDN-SJLPKXTDSA-N 1 0 405.543 -0.116 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638862 1069258520 /nfs/dbraw/zinc/25/85/20/1069258520.db2.gz ZIKYDHKAVXSPDN-WMZOPIPTSA-N 1 0 405.543 -0.116 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638903 1069257611 /nfs/dbraw/zinc/25/76/11/1069257611.db2.gz VVFZAARNFQAWNM-KRWDZBQOSA-N 1 0 403.531 -0.199 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638904 1069257729 /nfs/dbraw/zinc/25/77/29/1069257729.db2.gz VVFZAARNFQAWNM-QGZVFWFLSA-N 1 0 403.531 -0.199 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639250 1069257069 /nfs/dbraw/zinc/25/70/69/1069257069.db2.gz JWXYTOFMTUANIL-KRWDZBQOSA-N 1 0 418.542 -0.088 20 0 HBADRO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639251 1069256774 /nfs/dbraw/zinc/25/67/74/1069256774.db2.gz JWXYTOFMTUANIL-QGZVFWFLSA-N 1 0 418.542 -0.088 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639271 1069257041 /nfs/dbraw/zinc/25/70/41/1069257041.db2.gz LAZAGTUTINGWKX-INIZCTEOSA-N 1 0 417.510 -0.151 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639274 1069256375 /nfs/dbraw/zinc/25/63/75/1069256375.db2.gz LAZAGTUTINGWKX-MRXNPFEDSA-N 1 0 417.510 -0.151 20 0 HBADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639276 1069257152 /nfs/dbraw/zinc/25/71/52/1069257152.db2.gz LKTMPPZKSKRMBQ-KRWDZBQOSA-N 1 0 407.559 -0.012 20 0 HBADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639278 1069256896 /nfs/dbraw/zinc/25/68/96/1069256896.db2.gz LKTMPPZKSKRMBQ-QGZVFWFLSA-N 1 0 407.559 -0.012 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639280 1069256632 /nfs/dbraw/zinc/25/66/32/1069256632.db2.gz KOXACRSLXKHCLR-INIZCTEOSA-N 1 0 401.515 -0.590 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639283 1069256415 /nfs/dbraw/zinc/25/64/15/1069256415.db2.gz KOXACRSLXKHCLR-MRXNPFEDSA-N 1 0 401.515 -0.590 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639408 1069256510 /nfs/dbraw/zinc/25/65/10/1069256510.db2.gz BZXMKMPQYOHXMQ-AWEZNQCLSA-N 1 0 406.531 -0.108 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639410 1069256981 /nfs/dbraw/zinc/25/69/81/1069256981.db2.gz BZXMKMPQYOHXMQ-CQSZACIVSA-N 1 0 406.531 -0.108 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639486 1069256698 /nfs/dbraw/zinc/25/66/98/1069256698.db2.gz OAQJIVMILNNNGC-CVEARBPZSA-N 1 0 406.531 -0.666 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639487 1069257115 /nfs/dbraw/zinc/25/71/15/1069257115.db2.gz OAQJIVMILNNNGC-HOTGVXAUSA-N 1 0 406.531 -0.666 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639488 1069256448 /nfs/dbraw/zinc/25/64/48/1069256448.db2.gz OAQJIVMILNNNGC-HZPDHXFCSA-N 1 0 406.531 -0.666 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639489 1069256943 /nfs/dbraw/zinc/25/69/43/1069256943.db2.gz OAQJIVMILNNNGC-JKSUJKDBSA-N 1 0 406.531 -0.666 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2)CC1 ZINC000672639490 1069256863 /nfs/dbraw/zinc/25/68/63/1069256863.db2.gz OCHYCYBTUVYZJR-HKUYNNGSSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2)CC1 ZINC000672639491 1069256564 /nfs/dbraw/zinc/25/65/64/1069256564.db2.gz OCHYCYBTUVYZJR-IEBWSBKVSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2)CC1 ZINC000672639492 1069256830 /nfs/dbraw/zinc/25/68/30/1069256830.db2.gz OCHYCYBTUVYZJR-MJGOQNOKSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2)CC1 ZINC000672639493 1069257022 /nfs/dbraw/zinc/25/70/22/1069257022.db2.gz OCHYCYBTUVYZJR-PKOBYXMFSA-N 1 0 407.559 -0.406 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639668 1069258967 /nfs/dbraw/zinc/25/89/67/1069258967.db2.gz MZLQZMXFDFHMHQ-GOSISDBHSA-N 1 0 409.575 -0.160 20 0 HBADRO CC(C)OCCN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639669 1069259645 /nfs/dbraw/zinc/25/96/45/1069259645.db2.gz MZLQZMXFDFHMHQ-SFHVURJKSA-N 1 0 409.575 -0.160 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639698 1069259355 /nfs/dbraw/zinc/25/93/55/1069259355.db2.gz OBGQPOLUIOFCDS-INIZCTEOSA-N 1 0 422.574 -0.077 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639700 1069259681 /nfs/dbraw/zinc/25/96/81/1069259681.db2.gz OBGQPOLUIOFCDS-MRXNPFEDSA-N 1 0 422.574 -0.077 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639936 1069259014 /nfs/dbraw/zinc/25/90/14/1069259014.db2.gz PEZMITDLSMJCEK-DLBZAZTESA-N 1 0 417.558 -0.210 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639941 1069259101 /nfs/dbraw/zinc/25/91/01/1069259101.db2.gz PEZMITDLSMJCEK-IAGOWNOFSA-N 1 0 417.558 -0.210 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639943 1069259451 /nfs/dbraw/zinc/25/94/51/1069259451.db2.gz PEZMITDLSMJCEK-IRXDYDNUSA-N 1 0 417.558 -0.210 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639945 1069258839 /nfs/dbraw/zinc/25/88/39/1069258839.db2.gz PEZMITDLSMJCEK-SJORKVTESA-N 1 0 417.558 -0.210 20 0 HBADRO CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640029 1069257545 /nfs/dbraw/zinc/25/75/45/1069257545.db2.gz GLMREEBVVKOHAS-INIZCTEOSA-N 1 0 403.531 -0.214 20 0 HBADRO CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672640030 1069257667 /nfs/dbraw/zinc/25/76/67/1069257667.db2.gz GLMREEBVVKOHAS-MRXNPFEDSA-N 1 0 403.531 -0.214 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640298 1069257912 /nfs/dbraw/zinc/25/79/12/1069257912.db2.gz VJHOLJWQRWZZFU-GFCCVEGCSA-N 1 0 405.421 -0.538 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640306 1069257855 /nfs/dbraw/zinc/25/78/55/1069257855.db2.gz VJHOLJWQRWZZFU-LBPRGKRZSA-N 1 0 405.421 -0.538 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640368 1069258143 /nfs/dbraw/zinc/25/81/43/1069258143.db2.gz BTYKXABBYLESPE-DOTOQJQBSA-N 1 0 409.531 -0.975 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640369 1069258285 /nfs/dbraw/zinc/25/82/85/1069258285.db2.gz BTYKXABBYLESPE-NVXWUHKLSA-N 1 0 409.531 -0.975 20 0 HBADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640370 1069258325 /nfs/dbraw/zinc/25/83/25/1069258325.db2.gz BTYKXABBYLESPE-RDJZCZTQSA-N 1 0 409.531 -0.975 20 0 HBADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640371 1069257795 /nfs/dbraw/zinc/25/77/95/1069257795.db2.gz BTYKXABBYLESPE-WBVHZDCISA-N 1 0 409.531 -0.975 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640413 1069257471 /nfs/dbraw/zinc/25/74/71/1069257471.db2.gz CUDRUMTWZUTVIR-AWEZNQCLSA-N 1 0 405.465 -0.022 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640414 1069257973 /nfs/dbraw/zinc/25/79/73/1069257973.db2.gz CUDRUMTWZUTVIR-CQSZACIVSA-N 1 0 405.465 -0.022 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640580 1069259186 /nfs/dbraw/zinc/25/91/86/1069259186.db2.gz KDLIBSOOXVFPFL-KRWDZBQOSA-N 1 0 408.543 -0.073 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640584 1069258812 /nfs/dbraw/zinc/25/88/12/1069258812.db2.gz KDLIBSOOXVFPFL-QGZVFWFLSA-N 1 0 408.543 -0.073 20 0 HBADRO CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640585 1069259542 /nfs/dbraw/zinc/25/95/42/1069259542.db2.gz YCMXZMCKAJFDLC-INIZCTEOSA-N 1 0 406.531 -0.491 20 0 HBADRO CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640587 1069260635 /nfs/dbraw/zinc/26/06/35/1069260635.db2.gz YCMXZMCKAJFDLC-MRXNPFEDSA-N 1 0 406.531 -0.491 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640717 1069260678 /nfs/dbraw/zinc/26/06/78/1069260678.db2.gz HESMAEDMSQLKLN-INIZCTEOSA-N 1 0 401.515 -0.590 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640718 1069260343 /nfs/dbraw/zinc/26/03/43/1069260343.db2.gz HESMAEDMSQLKLN-MRXNPFEDSA-N 1 0 401.515 -0.590 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641003 1069260115 /nfs/dbraw/zinc/26/01/15/1069260115.db2.gz JLLJHLQEBQVVDT-INIZCTEOSA-N 1 0 419.505 -0.451 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641004 1069260085 /nfs/dbraw/zinc/26/00/85/1069260085.db2.gz JLLJHLQEBQVVDT-MRXNPFEDSA-N 1 0 419.505 -0.451 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641190 1069259601 /nfs/dbraw/zinc/25/96/01/1069259601.db2.gz NBQXQIBMQQBALT-DLBZAZTESA-N 1 0 409.575 -0.425 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641191 1069259276 /nfs/dbraw/zinc/25/92/76/1069259276.db2.gz NBQXQIBMQQBALT-IAGOWNOFSA-N 1 0 409.575 -0.425 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641193 1069259416 /nfs/dbraw/zinc/25/94/16/1069259416.db2.gz ODBYEWPSQVMABG-KRWDZBQOSA-N 1 0 417.558 -0.651 20 0 HBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641194 1069259574 /nfs/dbraw/zinc/25/95/74/1069259574.db2.gz NBQXQIBMQQBALT-IRXDYDNUSA-N 1 0 409.575 -0.425 20 0 HBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641195 1069258872 /nfs/dbraw/zinc/25/88/72/1069258872.db2.gz NBQXQIBMQQBALT-SJORKVTESA-N 1 0 409.575 -0.425 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641196 1069258923 /nfs/dbraw/zinc/25/89/23/1069258923.db2.gz ODBYEWPSQVMABG-QGZVFWFLSA-N 1 0 417.558 -0.651 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC000672641821 1069261771 /nfs/dbraw/zinc/26/17/71/1069261771.db2.gz UNFULBBOCYFLBW-GDBMZVCRSA-N 1 0 400.545 -0.693 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC000672641822 1069261541 /nfs/dbraw/zinc/26/15/41/1069261541.db2.gz UNFULBBOCYFLBW-GOEBONIOSA-N 1 0 400.545 -0.693 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000672641823 1069261239 /nfs/dbraw/zinc/26/12/39/1069261239.db2.gz UNFULBBOCYFLBW-HOCLYGCPSA-N 1 0 400.545 -0.693 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000672641824 1069261246 /nfs/dbraw/zinc/26/12/46/1069261246.db2.gz UNFULBBOCYFLBW-ZBFHGGJFSA-N 1 0 400.545 -0.693 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672641832 1069261833 /nfs/dbraw/zinc/26/18/33/1069261833.db2.gz XRUCDHGUVYWIMR-INIZCTEOSA-N 1 0 402.499 -0.059 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672641834 1069261457 /nfs/dbraw/zinc/26/14/57/1069261457.db2.gz XRUCDHGUVYWIMR-MRXNPFEDSA-N 1 0 402.499 -0.059 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2)CC1 ZINC000672641853 1069261256 /nfs/dbraw/zinc/26/12/56/1069261256.db2.gz YKIZWOYYWCDYNO-KRWDZBQOSA-N 1 0 407.559 -0.406 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2)CC1 ZINC000672641854 1069261209 /nfs/dbraw/zinc/26/12/09/1069261209.db2.gz YKIZWOYYWCDYNO-QGZVFWFLSA-N 1 0 407.559 -0.406 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641863 1069261704 /nfs/dbraw/zinc/26/17/04/1069261704.db2.gz YOYGXTOVYOBYTM-GOSISDBHSA-N 1 0 417.558 -0.651 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641864 1069261781 /nfs/dbraw/zinc/26/17/81/1069261781.db2.gz YOYGXTOVYOBYTM-SFHVURJKSA-N 1 0 417.558 -0.651 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(C)(C)O ZINC000672642446 1069261115 /nfs/dbraw/zinc/26/11/15/1069261115.db2.gz BBRGUWDVZVNGFY-DLBZAZTESA-N 1 0 409.575 -0.425 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(C)(C)O ZINC000672642447 1069261552 /nfs/dbraw/zinc/26/15/52/1069261552.db2.gz BBRGUWDVZVNGFY-IAGOWNOFSA-N 1 0 409.575 -0.425 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(C)(C)O ZINC000672642448 1069261414 /nfs/dbraw/zinc/26/14/14/1069261414.db2.gz BBRGUWDVZVNGFY-IRXDYDNUSA-N 1 0 409.575 -0.425 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1CC(C)(C)O ZINC000672642449 1069261636 /nfs/dbraw/zinc/26/16/36/1069261636.db2.gz BBRGUWDVZVNGFY-SJORKVTESA-N 1 0 409.575 -0.425 20 0 HBADRO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)CS(C)(=O)=O ZINC000672642542 1069260724 /nfs/dbraw/zinc/26/07/24/1069260724.db2.gz NLRMKPPCPMVAPP-CABCVRRESA-N 1 0 402.561 -0.447 20 0 HBADRO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)CS(C)(=O)=O ZINC000672642543 1069260073 /nfs/dbraw/zinc/26/00/73/1069260073.db2.gz NLRMKPPCPMVAPP-GJZGRUSLSA-N 1 0 402.561 -0.447 20 0 HBADRO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)CS(C)(=O)=O ZINC000672642544 1069260149 /nfs/dbraw/zinc/26/01/49/1069260149.db2.gz NLRMKPPCPMVAPP-HUUCEWRRSA-N 1 0 402.561 -0.447 20 0 HBADRO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)CS(C)(=O)=O ZINC000672642545 1069260418 /nfs/dbraw/zinc/26/04/18/1069260418.db2.gz NLRMKPPCPMVAPP-LSDHHAIUSA-N 1 0 402.561 -0.447 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672642651 1069262988 /nfs/dbraw/zinc/26/29/88/1069262988.db2.gz RQXFRUBMVGICON-KRWDZBQOSA-N 1 0 415.542 -0.282 20 0 HBADRO Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672642652 1069263069 /nfs/dbraw/zinc/26/30/69/1069263069.db2.gz RQXFRUBMVGICON-QGZVFWFLSA-N 1 0 415.542 -0.282 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642708 1069263328 /nfs/dbraw/zinc/26/33/28/1069263328.db2.gz FJXPTLGAAXLZQR-DLBZAZTESA-N 1 0 407.559 -0.014 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642709 1069263175 /nfs/dbraw/zinc/26/31/75/1069263175.db2.gz FJXPTLGAAXLZQR-IAGOWNOFSA-N 1 0 407.559 -0.014 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642710 1069263103 /nfs/dbraw/zinc/26/31/03/1069263103.db2.gz FJXPTLGAAXLZQR-IRXDYDNUSA-N 1 0 407.559 -0.014 20 0 HBADRO CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642711 1069263401 /nfs/dbraw/zinc/26/34/01/1069263401.db2.gz FJXPTLGAAXLZQR-SJORKVTESA-N 1 0 407.559 -0.014 20 0 HBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642809 1069262193 /nfs/dbraw/zinc/26/21/93/1069262193.db2.gz VAMXPEMQOSGECG-KRWDZBQOSA-N 1 0 409.575 -0.160 20 0 HBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642810 1069262112 /nfs/dbraw/zinc/26/21/12/1069262112.db2.gz VAMXPEMQOSGECG-QGZVFWFLSA-N 1 0 409.575 -0.160 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)C2)CC1 ZINC000672642811 1069262607 /nfs/dbraw/zinc/26/26/07/1069262607.db2.gz VCQKKPOSINCILV-AZUAARDMSA-N 1 0 421.586 -0.016 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)C2)CC1 ZINC000672642812 1069262737 /nfs/dbraw/zinc/26/27/37/1069262737.db2.gz VCQKKPOSINCILV-ICSRJNTNSA-N 1 0 421.586 -0.016 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)C2)CC1 ZINC000672642813 1069262282 /nfs/dbraw/zinc/26/22/82/1069262282.db2.gz VCQKKPOSINCILV-QUCCMNQESA-N 1 0 421.586 -0.016 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)C2)CC1 ZINC000672642814 1069262405 /nfs/dbraw/zinc/26/24/05/1069262405.db2.gz VCQKKPOSINCILV-UYAOXDASSA-N 1 0 421.586 -0.016 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642905 1069262540 /nfs/dbraw/zinc/26/25/40/1069262540.db2.gz XVAHWNWUKNARQS-INIZCTEOSA-N 1 0 401.515 -0.590 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642906 1069262691 /nfs/dbraw/zinc/26/26/91/1069262691.db2.gz XVAHWNWUKNARQS-MRXNPFEDSA-N 1 0 401.515 -0.590 20 0 HBADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642907 1069262394 /nfs/dbraw/zinc/26/23/94/1069262394.db2.gz YARCISSUSXUEQH-ILXRZTDVSA-N 1 0 402.561 -0.449 20 0 HBADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642909 1069262224 /nfs/dbraw/zinc/26/22/24/1069262224.db2.gz YARCISSUSXUEQH-KFWWJZLASA-N 1 0 402.561 -0.449 20 0 HBADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642911 1069263021 /nfs/dbraw/zinc/26/30/21/1069263021.db2.gz YARCISSUSXUEQH-QLFBSQMISA-N 1 0 402.561 -0.449 20 0 HBADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642913 1069263318 /nfs/dbraw/zinc/26/33/18/1069263318.db2.gz YARCISSUSXUEQH-RBSFLKMASA-N 1 0 402.561 -0.449 20 0 HBADRO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000672642984 1069262098 /nfs/dbraw/zinc/26/20/98/1069262098.db2.gz ZRMINHOTPZVKNJ-CVEARBPZSA-N 1 0 416.588 -0.057 20 0 HBADRO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000672642985 1069262597 /nfs/dbraw/zinc/26/25/97/1069262597.db2.gz ZRMINHOTPZVKNJ-HOTGVXAUSA-N 1 0 416.588 -0.057 20 0 HBADRO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000672642987 1069262272 /nfs/dbraw/zinc/26/22/72/1069262272.db2.gz ZRMINHOTPZVKNJ-HZPDHXFCSA-N 1 0 416.588 -0.057 20 0 HBADRO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000672642989 1069262260 /nfs/dbraw/zinc/26/22/60/1069262260.db2.gz ZRMINHOTPZVKNJ-JKSUJKDBSA-N 1 0 416.588 -0.057 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643419 1069262637 /nfs/dbraw/zinc/26/26/37/1069262637.db2.gz XWPKPOADSQBYAT-INIZCTEOSA-N 1 0 403.531 -0.647 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643420 1069262448 /nfs/dbraw/zinc/26/24/48/1069262448.db2.gz XWPKPOADSQBYAT-MRXNPFEDSA-N 1 0 403.531 -0.647 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000672654009 1069264741 /nfs/dbraw/zinc/26/47/41/1069264741.db2.gz GWHXMNURFIIFDZ-KRWDZBQOSA-N 1 0 415.494 -0.104 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000672654010 1069264658 /nfs/dbraw/zinc/26/46/58/1069264658.db2.gz GWHXMNURFIIFDZ-QGZVFWFLSA-N 1 0 415.494 -0.104 20 0 HBADRO CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCC1 ZINC000672659675 1069263837 /nfs/dbraw/zinc/26/38/37/1069263837.db2.gz HHIUFIWWHASNES-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCC1 ZINC000672659676 1069263795 /nfs/dbraw/zinc/26/37/95/1069263795.db2.gz HHIUFIWWHASNES-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000672681573 1069265081 /nfs/dbraw/zinc/26/50/81/1069265081.db2.gz PEDNCDLEGWJSRW-UHFFFAOYSA-N 1 0 411.507 -0.043 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000672696164 1069265617 /nfs/dbraw/zinc/26/56/17/1069265617.db2.gz UGFVHTFOLZUSER-HNNXBMFYSA-N 1 0 402.499 -0.180 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000672696169 1069265568 /nfs/dbraw/zinc/26/55/68/1069265568.db2.gz UGFVHTFOLZUSER-OAHLLOKOSA-N 1 0 402.499 -0.180 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000672696211 1069265763 /nfs/dbraw/zinc/26/57/63/1069265763.db2.gz JPUATCWWHHOHHW-HNNXBMFYSA-N 1 0 408.503 -0.149 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000672696222 1069265637 /nfs/dbraw/zinc/26/56/37/1069265637.db2.gz JPUATCWWHHOHHW-OAHLLOKOSA-N 1 0 408.503 -0.149 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000672696452 1069265045 /nfs/dbraw/zinc/26/50/45/1069265045.db2.gz KVAQHUBOJDEJPA-CYBMUJFWSA-N 1 0 401.489 -0.799 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000672696480 1069265114 /nfs/dbraw/zinc/26/51/14/1069265114.db2.gz KVAQHUBOJDEJPA-ZDUSSCGKSA-N 1 0 401.489 -0.799 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000672697271 1069266095 /nfs/dbraw/zinc/26/60/95/1069266095.db2.gz QCTQTJNXUQCCFB-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000672697273 1069266345 /nfs/dbraw/zinc/26/63/45/1069266345.db2.gz QCTQTJNXUQCCFB-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000672699788 1069266130 /nfs/dbraw/zinc/26/61/30/1069266130.db2.gz IKTWUHNYTXHEKR-INIZCTEOSA-N 1 0 402.499 -0.180 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000672699789 1069266290 /nfs/dbraw/zinc/26/62/90/1069266290.db2.gz IKTWUHNYTXHEKR-MRXNPFEDSA-N 1 0 402.499 -0.180 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000672708443 1069266222 /nfs/dbraw/zinc/26/62/22/1069266222.db2.gz IQZAXACMBRCMNZ-OAHLLOKOSA-N 1 0 404.581 -0.418 20 0 HBADRO CC1(C)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC[N@@H+]1CCO ZINC000672712646 1069266865 /nfs/dbraw/zinc/26/68/65/1069266865.db2.gz OKQQFBWFVJPHBH-UHFFFAOYSA-N 1 0 417.510 -0.143 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000672726767 1069267425 /nfs/dbraw/zinc/26/74/25/1069267425.db2.gz CUMOJJBEGRTGRH-LJQANCHMSA-N 1 0 415.538 -0.142 20 0 HBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(F)(F)F ZINC000672774828 1069269585 /nfs/dbraw/zinc/26/95/85/1069269585.db2.gz HSTZTVLTGYCBOW-LLVKDONJSA-N 1 0 404.455 -0.093 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(F)(F)F ZINC000672774829 1069269806 /nfs/dbraw/zinc/26/98/06/1069269806.db2.gz HSTZTVLTGYCBOW-NSHDSACASA-N 1 0 404.455 -0.093 20 0 HBADRO CN(C)c1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000672805272 1069270796 /nfs/dbraw/zinc/27/07/96/1069270796.db2.gz ARGXOQFJSJTLEP-AWEZNQCLSA-N 1 0 408.528 -0.410 20 0 HBADRO CN(C)c1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000672805279 1069272427 /nfs/dbraw/zinc/27/24/27/1069272427.db2.gz ARGXOQFJSJTLEP-CQSZACIVSA-N 1 0 408.528 -0.410 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672808903 1069271880 /nfs/dbraw/zinc/27/18/80/1069271880.db2.gz XQMDDJWQCJXMKA-UHFFFAOYSA-N 1 0 410.544 -0.162 20 0 HBADRO CN(C)c1nc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1 ZINC000672810286 1069271922 /nfs/dbraw/zinc/27/19/22/1069271922.db2.gz HYPRXEKODXSKQZ-UHFFFAOYSA-N 1 0 408.528 -0.408 20 0 HBADRO CC1(C)CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1CCO ZINC000672817283 1069273011 /nfs/dbraw/zinc/27/30/11/1069273011.db2.gz SQEOIRWAIRYBQV-UHFFFAOYSA-N 1 0 419.530 -0.387 20 0 HBADRO CC1(C)CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[N@@H+]1CCO ZINC000672854927 1069273502 /nfs/dbraw/zinc/27/35/02/1069273502.db2.gz OAFIYIHVUBNTJO-HNNXBMFYSA-N 1 0 406.549 -0.427 20 0 HBADRO CC1(C)CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[N@@H+]1CCO ZINC000672854928 1069273793 /nfs/dbraw/zinc/27/37/93/1069273793.db2.gz OAFIYIHVUBNTJO-OAHLLOKOSA-N 1 0 406.549 -0.427 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000672876451 1069274220 /nfs/dbraw/zinc/27/42/20/1069274220.db2.gz GMWQNEDOVWPJQU-KRWDZBQOSA-N 1 0 417.576 -0.636 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000672876455 1069274072 /nfs/dbraw/zinc/27/40/72/1069274072.db2.gz GMWQNEDOVWPJQU-QGZVFWFLSA-N 1 0 417.576 -0.636 20 0 HBADRO NS(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876557 1069274356 /nfs/dbraw/zinc/27/43/56/1069274356.db2.gz LDDHACNAPZJLPI-INIZCTEOSA-N 1 0 411.528 -0.460 20 0 HBADRO NS(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876558 1069274115 /nfs/dbraw/zinc/27/41/15/1069274115.db2.gz LDDHACNAPZJLPI-MRXNPFEDSA-N 1 0 411.528 -0.460 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)cn1 ZINC000672889974 1069275519 /nfs/dbraw/zinc/27/55/19/1069275519.db2.gz HSQMAVZUTPGFOF-MSOLQXFVSA-N 1 0 417.558 -0.257 20 0 HBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)cn1 ZINC000672889975 1069275350 /nfs/dbraw/zinc/27/53/50/1069275350.db2.gz HSQMAVZUTPGFOF-QZTJIDSGSA-N 1 0 417.558 -0.257 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)cn1 ZINC000672889976 1069275227 /nfs/dbraw/zinc/27/52/27/1069275227.db2.gz HSQMAVZUTPGFOF-ROUUACIJSA-N 1 0 417.558 -0.257 20 0 HBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)cn1 ZINC000672889977 1069275451 /nfs/dbraw/zinc/27/54/51/1069275451.db2.gz HSQMAVZUTPGFOF-ZWKOTPCHSA-N 1 0 417.558 -0.257 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)ccc1F ZINC000672930469 1069277535 /nfs/dbraw/zinc/27/75/35/1069277535.db2.gz UWMUIZTYPJXZRR-UHFFFAOYSA-N 1 0 416.475 -0.101 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2nnnn2C)c1 ZINC000672944183 1069278063 /nfs/dbraw/zinc/27/80/63/1069278063.db2.gz PYRDZXXDHXOHQJ-UHFFFAOYSA-N 1 0 402.459 -0.212 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673013526 1069280811 /nfs/dbraw/zinc/28/08/11/1069280811.db2.gz MTZRIPVOYFNERI-HKUYNNGSSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673013527 1069280645 /nfs/dbraw/zinc/28/06/45/1069280645.db2.gz MTZRIPVOYFNERI-IEBWSBKVSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673013528 1069280961 /nfs/dbraw/zinc/28/09/61/1069280961.db2.gz MTZRIPVOYFNERI-MJGOQNOKSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673013529 1069280657 /nfs/dbraw/zinc/28/06/57/1069280657.db2.gz MTZRIPVOYFNERI-PKOBYXMFSA-N 1 0 408.543 -0.073 20 0 HBADRO CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)S(C)(=O)=O ZINC000673096473 1069285174 /nfs/dbraw/zinc/28/51/74/1069285174.db2.gz OHEJIUUQZXZNMM-AWEZNQCLSA-N 1 0 414.532 -0.487 20 0 HBADRO CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)S(C)(=O)=O ZINC000673096474 1069285487 /nfs/dbraw/zinc/28/54/87/1069285487.db2.gz OHEJIUUQZXZNMM-CQSZACIVSA-N 1 0 414.532 -0.487 20 0 HBADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000673096516 1069285661 /nfs/dbraw/zinc/28/56/61/1069285661.db2.gz WPYKPCXZZVTIRB-AWEZNQCLSA-N 1 0 400.505 -0.734 20 0 HBADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000673096517 1069285461 /nfs/dbraw/zinc/28/54/61/1069285461.db2.gz WPYKPCXZZVTIRB-CQSZACIVSA-N 1 0 400.505 -0.734 20 0 HBADRO CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673104361 1069286278 /nfs/dbraw/zinc/28/62/78/1069286278.db2.gz KAISWBHSZMUGSK-UHFFFAOYSA-N 1 0 406.468 -0.006 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000673118413 1069286753 /nfs/dbraw/zinc/28/67/53/1069286753.db2.gz PXHDVSRRZQXHNC-DZGCQCFKSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000673118414 1069287239 /nfs/dbraw/zinc/28/72/39/1069287239.db2.gz PXHDVSRRZQXHNC-HIFRSBDPSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000673118415 1069287040 /nfs/dbraw/zinc/28/70/40/1069287040.db2.gz PXHDVSRRZQXHNC-UKRRQHHQSA-N 1 0 414.532 -0.393 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000673118416 1069287173 /nfs/dbraw/zinc/28/71/73/1069287173.db2.gz PXHDVSRRZQXHNC-ZFWWWQNUSA-N 1 0 414.532 -0.393 20 0 HBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673121937 1069287340 /nfs/dbraw/zinc/28/73/40/1069287340.db2.gz OYTCRNKDDARWQK-IBGZPJMESA-N 1 0 415.538 -0.057 20 0 HBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673121938 1069287112 /nfs/dbraw/zinc/28/71/12/1069287112.db2.gz OYTCRNKDDARWQK-LJQANCHMSA-N 1 0 415.538 -0.057 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000673127946 1069287084 /nfs/dbraw/zinc/28/70/84/1069287084.db2.gz DTYDTUFQWBMZRK-AWEZNQCLSA-N 1 0 400.505 -0.687 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000673127947 1069287895 /nfs/dbraw/zinc/28/78/95/1069287895.db2.gz DTYDTUFQWBMZRK-CQSZACIVSA-N 1 0 400.505 -0.687 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cn1 ZINC000673128597 1069287734 /nfs/dbraw/zinc/28/77/34/1069287734.db2.gz NDUMJSNQJNZUAD-CYBMUJFWSA-N 1 0 406.409 -0.238 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cn1 ZINC000673128598 1069287799 /nfs/dbraw/zinc/28/77/99/1069287799.db2.gz NDUMJSNQJNZUAD-ZDUSSCGKSA-N 1 0 406.409 -0.238 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000673147863 1069288966 /nfs/dbraw/zinc/28/89/66/1069288966.db2.gz QXRWOTGWDJUBEF-CYBMUJFWSA-N 1 0 400.505 -0.734 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000673149564 1069289953 /nfs/dbraw/zinc/28/99/53/1069289953.db2.gz OCJAXPCFHONJGU-ZDUSSCGKSA-N 1 0 412.516 -0.832 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673150098 1069289448 /nfs/dbraw/zinc/28/94/48/1069289448.db2.gz YOJXKPSUIRSLLQ-INIZCTEOSA-N 1 0 418.542 -0.098 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673150447 1069289654 /nfs/dbraw/zinc/28/96/54/1069289654.db2.gz GJDJUXBKHSCDOD-CYBMUJFWSA-N 1 0 421.483 -0.407 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)CCN2C1=O ZINC000673158433 1069290638 /nfs/dbraw/zinc/29/06/38/1069290638.db2.gz CSCBSQMOURENEZ-UYTSQGDYSA-N 1 0 420.514 -0.252 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)CCN2C1=O ZINC000673158434 1069290708 /nfs/dbraw/zinc/29/07/08/1069290708.db2.gz CSCBSQMOURENEZ-WTXIUTQJSA-N 1 0 420.514 -0.252 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673174606 1069290592 /nfs/dbraw/zinc/29/05/92/1069290592.db2.gz KZMABAXWDDHSQN-INIZCTEOSA-N 1 0 417.510 -0.025 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673174607 1069291115 /nfs/dbraw/zinc/29/11/15/1069291115.db2.gz KZMABAXWDDHSQN-MRXNPFEDSA-N 1 0 417.510 -0.025 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)ccc2oc1=O ZINC000673174711 1069290727 /nfs/dbraw/zinc/29/07/27/1069290727.db2.gz FREYDZKZTVNDHZ-GFCCVEGCSA-N 1 0 403.439 -0.182 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)ccc2oc1=O ZINC000673174712 1069290621 /nfs/dbraw/zinc/29/06/21/1069290621.db2.gz FREYDZKZTVNDHZ-LBPRGKRZSA-N 1 0 403.439 -0.182 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673187462 1069291503 /nfs/dbraw/zinc/29/15/03/1069291503.db2.gz QCRLNVPIMYQWOH-BZUAXINKSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673187463 1069292157 /nfs/dbraw/zinc/29/21/57/1069292157.db2.gz QCRLNVPIMYQWOH-OAGGEKHMSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673187464 1069292236 /nfs/dbraw/zinc/29/22/36/1069292236.db2.gz QCRLNVPIMYQWOH-OWCLPIDISA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673187465 1069292078 /nfs/dbraw/zinc/29/20/78/1069292078.db2.gz QCRLNVPIMYQWOH-PMPSAXMXSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673187476 1069292133 /nfs/dbraw/zinc/29/21/33/1069292133.db2.gz UXJFIRVRSSCUGX-IAGOWNOFSA-N 1 0 416.592 -0.321 20 0 HBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000673187477 1069292220 /nfs/dbraw/zinc/29/22/20/1069292220.db2.gz UXJFIRVRSSCUGX-SJORKVTESA-N 1 0 416.592 -0.321 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)n1 ZINC000673265723 1069297139 /nfs/dbraw/zinc/29/71/39/1069297139.db2.gz LWXVOJMMPGOHAQ-INIZCTEOSA-N 1 0 411.466 -0.225 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)n1 ZINC000673265725 1069296969 /nfs/dbraw/zinc/29/69/69/1069296969.db2.gz LWXVOJMMPGOHAQ-MRXNPFEDSA-N 1 0 411.466 -0.225 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)n1 ZINC000673266254 1069297590 /nfs/dbraw/zinc/29/75/90/1069297590.db2.gz YVMYTRVALWAXDO-INIZCTEOSA-N 1 0 420.514 -0.399 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2=O)n1 ZINC000673266255 1069297509 /nfs/dbraw/zinc/29/75/09/1069297509.db2.gz YVMYTRVALWAXDO-MRXNPFEDSA-N 1 0 420.514 -0.399 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673269549 1069298116 /nfs/dbraw/zinc/29/81/16/1069298116.db2.gz VCHOSFMXFCTAPL-UHFFFAOYSA-N 1 0 409.512 -0.578 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000673276426 1069298926 /nfs/dbraw/zinc/29/89/26/1069298926.db2.gz OOYHVFPSRYBWER-UHFFFAOYSA-N 1 0 400.545 -0.093 20 0 HBADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000673281443 1069298065 /nfs/dbraw/zinc/29/80/65/1069298065.db2.gz BJRPIZIBIYUXCK-KRWDZBQOSA-N 1 0 410.478 -0.268 20 0 HBADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000673281455 1069298132 /nfs/dbraw/zinc/29/81/32/1069298132.db2.gz BJRPIZIBIYUXCK-QGZVFWFLSA-N 1 0 410.478 -0.268 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)n1 ZINC000673300227 1069299066 /nfs/dbraw/zinc/29/90/66/1069299066.db2.gz MZZFLYAHVFEOHI-OAHLLOKOSA-N 1 0 411.466 -0.076 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300284 1069299874 /nfs/dbraw/zinc/29/98/74/1069299874.db2.gz OOICMFLLSRTVFT-DLBZAZTESA-N 1 0 414.510 -0.459 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300290 1069299755 /nfs/dbraw/zinc/29/97/55/1069299755.db2.gz OOICMFLLSRTVFT-IAGOWNOFSA-N 1 0 414.510 -0.459 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300293 1069299633 /nfs/dbraw/zinc/29/96/33/1069299633.db2.gz OOICMFLLSRTVFT-IRXDYDNUSA-N 1 0 414.510 -0.459 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673300295 1069299944 /nfs/dbraw/zinc/29/99/44/1069299944.db2.gz OOICMFLLSRTVFT-SJORKVTESA-N 1 0 414.510 -0.459 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303467 1069301961 /nfs/dbraw/zinc/30/19/61/1069301961.db2.gz KJAWVZQKRWPLCA-KRWDZBQOSA-N 1 0 414.510 -0.457 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303468 1069301722 /nfs/dbraw/zinc/30/17/22/1069301722.db2.gz KJAWVZQKRWPLCA-QGZVFWFLSA-N 1 0 414.510 -0.457 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303613 1069301845 /nfs/dbraw/zinc/30/18/45/1069301845.db2.gz JDYCWFVQFGDSBK-KRWDZBQOSA-N 1 0 416.526 -0.211 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673303614 1069301914 /nfs/dbraw/zinc/30/19/14/1069301914.db2.gz JDYCWFVQFGDSBK-QGZVFWFLSA-N 1 0 416.526 -0.211 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)C1 ZINC000673324017 1069302986 /nfs/dbraw/zinc/30/29/86/1069302986.db2.gz UBWIZNCRVQUQSJ-GOSISDBHSA-N 1 0 415.542 -0.200 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)C1 ZINC000673324018 1069302864 /nfs/dbraw/zinc/30/28/64/1069302864.db2.gz UBWIZNCRVQUQSJ-SFHVURJKSA-N 1 0 415.542 -0.200 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1CC(C)(C)O ZINC000673324178 1069302730 /nfs/dbraw/zinc/30/27/30/1069302730.db2.gz DWRLCOCVNCBPBQ-HNNXBMFYSA-N 1 0 404.515 -0.135 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1CC(C)(C)O ZINC000673324179 1069303029 /nfs/dbraw/zinc/30/30/29/1069303029.db2.gz DWRLCOCVNCBPBQ-OAHLLOKOSA-N 1 0 404.515 -0.135 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000673325891 1069303333 /nfs/dbraw/zinc/30/33/33/1069303333.db2.gz NEMBUWJCUUFDLS-WMLDXEAASA-N 1 0 408.524 -0.227 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000673325892 1069303443 /nfs/dbraw/zinc/30/34/43/1069303443.db2.gz NEMBUWJCUUFDLS-YOEHRIQHSA-N 1 0 408.524 -0.227 20 0 HBADRO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000673330261 1069304157 /nfs/dbraw/zinc/30/41/57/1069304157.db2.gz CRTHBXFZJIHIBP-NRFANRHFSA-N 1 0 402.495 -0.017 20 0 HBADRO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000673330262 1069304034 /nfs/dbraw/zinc/30/40/34/1069304034.db2.gz CRTHBXFZJIHIBP-OAQYLSRUSA-N 1 0 402.495 -0.017 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000673330323 1069304132 /nfs/dbraw/zinc/30/41/32/1069304132.db2.gz REUNOGJVKJDJJP-GOSISDBHSA-N 1 0 418.494 -0.767 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000673330324 1069304267 /nfs/dbraw/zinc/30/42/67/1069304267.db2.gz REUNOGJVKJDJJP-SFHVURJKSA-N 1 0 418.494 -0.767 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000673330330 1069304076 /nfs/dbraw/zinc/30/40/76/1069304076.db2.gz TWZFEHYWCQXZAY-HNNXBMFYSA-N 1 0 402.495 -0.004 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000673330331 1069303977 /nfs/dbraw/zinc/30/39/77/1069303977.db2.gz TWZFEHYWCQXZAY-OAHLLOKOSA-N 1 0 402.495 -0.004 20 0 HBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000673330366 1069304206 /nfs/dbraw/zinc/30/42/06/1069304206.db2.gz ZYZINUXRQZIMPI-UHFFFAOYSA-N 1 0 419.526 -0.011 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)n(C)n1 ZINC000673332114 1069304725 /nfs/dbraw/zinc/30/47/25/1069304725.db2.gz MHLWHAQEINXPHE-INIZCTEOSA-N 1 0 411.466 -0.306 20 0 HBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)n(C)n1 ZINC000673332115 1069304538 /nfs/dbraw/zinc/30/45/38/1069304538.db2.gz MHLWHAQEINXPHE-MRXNPFEDSA-N 1 0 411.466 -0.306 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000673332482 1069305093 /nfs/dbraw/zinc/30/50/93/1069305093.db2.gz HZSPJFHYAMLEMV-CABCVRRESA-N 1 0 406.487 -0.823 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000673332486 1069304915 /nfs/dbraw/zinc/30/49/15/1069304915.db2.gz HZSPJFHYAMLEMV-GJZGRUSLSA-N 1 0 406.487 -0.823 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000673332487 1069305250 /nfs/dbraw/zinc/30/52/50/1069305250.db2.gz HZSPJFHYAMLEMV-HUUCEWRRSA-N 1 0 406.487 -0.823 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000673332488 1069305130 /nfs/dbraw/zinc/30/51/30/1069305130.db2.gz HZSPJFHYAMLEMV-LSDHHAIUSA-N 1 0 406.487 -0.823 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2=O)n(C)n1 ZINC000673333725 1069305228 /nfs/dbraw/zinc/30/52/28/1069305228.db2.gz FGVUXTVUGRKVCG-HRCADAONSA-N 1 0 402.499 -0.107 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C2=O)n(C)n1 ZINC000673333726 1069305317 /nfs/dbraw/zinc/30/53/17/1069305317.db2.gz FGVUXTVUGRKVCG-JYJNAYRXSA-N 1 0 402.499 -0.107 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2=O)n(C)n1 ZINC000673333727 1069305051 /nfs/dbraw/zinc/30/50/51/1069305051.db2.gz FGVUXTVUGRKVCG-OWCLPIDISA-N 1 0 402.499 -0.107 20 0 HBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2=O)n(C)n1 ZINC000673333728 1069305189 /nfs/dbraw/zinc/30/51/89/1069305189.db2.gz FGVUXTVUGRKVCG-PMPSAXMXSA-N 1 0 402.499 -0.107 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000673337975 1069306393 /nfs/dbraw/zinc/30/63/93/1069306393.db2.gz IYGCAXJQEPISIM-BPQIPLTHSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000673337976 1069306482 /nfs/dbraw/zinc/30/64/82/1069306482.db2.gz IYGCAXJQEPISIM-KBAYOESNSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000673337977 1069306134 /nfs/dbraw/zinc/30/61/34/1069306134.db2.gz IYGCAXJQEPISIM-NJAFHUGGSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000673337978 1069306332 /nfs/dbraw/zinc/30/63/32/1069306332.db2.gz IYGCAXJQEPISIM-NXHRZFHOSA-N 1 0 413.515 -0.365 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673338131 1069308699 /nfs/dbraw/zinc/30/86/99/1069308699.db2.gz VHYGENKRJCNTIG-FGTMMUONSA-N 1 0 412.531 -0.839 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673338132 1069308620 /nfs/dbraw/zinc/30/86/20/1069308620.db2.gz VHYGENKRJCNTIG-KZNAEPCWSA-N 1 0 412.531 -0.839 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673338133 1069308458 /nfs/dbraw/zinc/30/84/58/1069308458.db2.gz VHYGENKRJCNTIG-OKZBNKHCSA-N 1 0 412.531 -0.839 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673338134 1069308299 /nfs/dbraw/zinc/30/82/99/1069308299.db2.gz VHYGENKRJCNTIG-RCCFBDPRSA-N 1 0 412.531 -0.839 20 0 HBADRO CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338303 1069306735 /nfs/dbraw/zinc/30/67/35/1069306735.db2.gz PGSGFADMKOVRJH-MSOLQXFVSA-N 1 0 423.558 -0.633 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338304 1069306834 /nfs/dbraw/zinc/30/68/34/1069306834.db2.gz PGSGFADMKOVRJH-QZTJIDSGSA-N 1 0 423.558 -0.633 20 0 HBADRO CC[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338305 1069307072 /nfs/dbraw/zinc/30/70/72/1069307072.db2.gz PGSGFADMKOVRJH-ROUUACIJSA-N 1 0 423.558 -0.633 20 0 HBADRO CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338306 1069306922 /nfs/dbraw/zinc/30/69/22/1069306922.db2.gz PGSGFADMKOVRJH-ZWKOTPCHSA-N 1 0 423.558 -0.633 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000673338441 1069308154 /nfs/dbraw/zinc/30/81/54/1069308154.db2.gz DQIKKJWMEDVTSI-BZSNNMDCSA-N 1 0 423.558 -0.776 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000673338442 1069308050 /nfs/dbraw/zinc/30/80/50/1069308050.db2.gz DQIKKJWMEDVTSI-FGTMMUONSA-N 1 0 423.558 -0.776 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000673338443 1069307838 /nfs/dbraw/zinc/30/78/38/1069307838.db2.gz DQIKKJWMEDVTSI-OKZBNKHCSA-N 1 0 423.558 -0.776 20 0 HBADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000673338444 1069307879 /nfs/dbraw/zinc/30/78/79/1069307879.db2.gz DQIKKJWMEDVTSI-SQNIBIBYSA-N 1 0 423.558 -0.776 20 0 HBADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673339035 1069307567 /nfs/dbraw/zinc/30/75/67/1069307567.db2.gz WQOZZKADTUEIFX-BZSNNMDCSA-N 1 0 413.515 -0.506 20 0 HBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673339036 1069307659 /nfs/dbraw/zinc/30/76/59/1069307659.db2.gz WQOZZKADTUEIFX-KSZLIROESA-N 1 0 413.515 -0.506 20 0 HBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673339037 1069307386 /nfs/dbraw/zinc/30/73/86/1069307386.db2.gz WQOZZKADTUEIFX-OKZBNKHCSA-N 1 0 413.515 -0.506 20 0 HBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673339038 1069307498 /nfs/dbraw/zinc/30/74/98/1069307498.db2.gz WQOZZKADTUEIFX-RCCFBDPRSA-N 1 0 413.515 -0.506 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000673339637 1069308734 /nfs/dbraw/zinc/30/87/34/1069308734.db2.gz DCCJHRLWVUBCOI-DLBZAZTESA-N 1 0 408.524 -0.097 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000673339638 1069308366 /nfs/dbraw/zinc/30/83/66/1069308366.db2.gz DCCJHRLWVUBCOI-IAGOWNOFSA-N 1 0 408.524 -0.097 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000673339639 1069308658 /nfs/dbraw/zinc/30/86/58/1069308658.db2.gz DCCJHRLWVUBCOI-IRXDYDNUSA-N 1 0 408.524 -0.097 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000673339640 1069308761 /nfs/dbraw/zinc/30/87/61/1069308761.db2.gz DCCJHRLWVUBCOI-SJORKVTESA-N 1 0 408.524 -0.097 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000673347571 1069310622 /nfs/dbraw/zinc/31/06/22/1069310622.db2.gz AWFWYHCEBZLKGS-UHFFFAOYSA-N 1 0 421.517 -0.004 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC000673348554 1069310478 /nfs/dbraw/zinc/31/04/78/1069310478.db2.gz JTZGKJWKKXRSDA-UHFFFAOYSA-N 1 0 400.476 -0.619 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000673351823 1069310942 /nfs/dbraw/zinc/31/09/42/1069310942.db2.gz MLXDKUFUBKODGW-UHFFFAOYSA-N 1 0 412.512 -0.463 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000673351982 1069310982 /nfs/dbraw/zinc/31/09/82/1069310982.db2.gz CEMNWYQDYPMOMB-UHFFFAOYSA-N 1 0 424.473 -0.430 20 0 HBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)c1 ZINC000673352073 1069310604 /nfs/dbraw/zinc/31/06/04/1069310604.db2.gz UVTCWWOXWGWAPO-UHFFFAOYSA-N 1 0 420.510 -0.397 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673355424 1069312373 /nfs/dbraw/zinc/31/23/73/1069312373.db2.gz GHHVKDNFVHUKLH-GOSISDBHSA-N 1 0 407.559 -0.010 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673355427 1069312517 /nfs/dbraw/zinc/31/25/17/1069312517.db2.gz GHHVKDNFVHUKLH-SFHVURJKSA-N 1 0 407.559 -0.010 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000673370823 1069313884 /nfs/dbraw/zinc/31/38/84/1069313884.db2.gz KFWCVFLHKLETSL-GOSISDBHSA-N 1 0 424.542 -0.251 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000673370825 1069314135 /nfs/dbraw/zinc/31/41/35/1069314135.db2.gz KFWCVFLHKLETSL-SFHVURJKSA-N 1 0 424.542 -0.251 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCC1 ZINC000673378503 1069314603 /nfs/dbraw/zinc/31/46/03/1069314603.db2.gz RHCXPVQKWKHZPR-UHFFFAOYSA-N 1 0 423.558 -0.772 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000673396003 1069316444 /nfs/dbraw/zinc/31/64/44/1069316444.db2.gz XXHRQOJUMAPPTC-KRWDZBQOSA-N 1 0 402.499 -0.105 20 0 HBADRO CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000673396004 1069316509 /nfs/dbraw/zinc/31/65/09/1069316509.db2.gz XXHRQOJUMAPPTC-QGZVFWFLSA-N 1 0 402.499 -0.105 20 0 HBADRO CCn1ncnc1CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000673406242 1069317019 /nfs/dbraw/zinc/31/70/19/1069317019.db2.gz CXCZVSCMWBACPD-UHFFFAOYSA-N 1 0 421.546 -0.143 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000673423812 1069320151 /nfs/dbraw/zinc/32/01/51/1069320151.db2.gz YCXHDKSXXZLZJY-GOSISDBHSA-N 1 0 405.495 -0.131 20 0 HBADRO COC1(CO)CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000673423813 1069320490 /nfs/dbraw/zinc/32/04/90/1069320490.db2.gz YCXHDKSXXZLZJY-SFHVURJKSA-N 1 0 405.495 -0.131 20 0 HBADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000673423868 1069320018 /nfs/dbraw/zinc/32/00/18/1069320018.db2.gz NOMHFYKTHHQWHU-CRAIPNDOSA-N 1 0 417.510 -0.224 20 0 HBADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000673423869 1069320545 /nfs/dbraw/zinc/32/05/45/1069320545.db2.gz NOMHFYKTHHQWHU-MAUKXSAKSA-N 1 0 417.510 -0.224 20 0 HBADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000673423870 1069320572 /nfs/dbraw/zinc/32/05/72/1069320572.db2.gz NOMHFYKTHHQWHU-QAPCUYQASA-N 1 0 417.510 -0.224 20 0 HBADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000673423871 1069319954 /nfs/dbraw/zinc/31/99/54/1069319954.db2.gz NOMHFYKTHHQWHU-YJBOKZPZSA-N 1 0 417.510 -0.224 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000673424143 1069319986 /nfs/dbraw/zinc/31/99/86/1069319986.db2.gz UQDGIIYHAAOOKE-MOPGFXCFSA-N 1 0 418.494 -0.767 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000673424144 1069320184 /nfs/dbraw/zinc/32/01/84/1069320184.db2.gz UQDGIIYHAAOOKE-OALUTQOASA-N 1 0 418.494 -0.767 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000673424145 1069320366 /nfs/dbraw/zinc/32/03/66/1069320366.db2.gz UQDGIIYHAAOOKE-RBUKOAKNSA-N 1 0 418.494 -0.767 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000673424146 1069320213 /nfs/dbraw/zinc/32/02/13/1069320213.db2.gz UQDGIIYHAAOOKE-RTBURBONSA-N 1 0 418.494 -0.767 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CN(C)CCO1 ZINC000673424226 1069320284 /nfs/dbraw/zinc/32/02/84/1069320284.db2.gz KFXMSYXMUPKXCV-IPELMVKDSA-N 1 0 404.511 -0.295 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CN(C)CCO1 ZINC000673424227 1069319843 /nfs/dbraw/zinc/31/98/43/1069319843.db2.gz KFXMSYXMUPKXCV-KFKAGJAMSA-N 1 0 404.511 -0.295 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CN(C)CCO1 ZINC000673424228 1069320404 /nfs/dbraw/zinc/32/04/04/1069320404.db2.gz KFXMSYXMUPKXCV-SNRMKQJTSA-N 1 0 404.511 -0.295 20 0 HBADRO C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CN(C)CCO1 ZINC000673424229 1069320052 /nfs/dbraw/zinc/32/00/52/1069320052.db2.gz KFXMSYXMUPKXCV-ZYSHUDEJSA-N 1 0 404.511 -0.295 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000673424456 1069320718 /nfs/dbraw/zinc/32/07/18/1069320718.db2.gz IOYJKOJJNJXYSA-GOSISDBHSA-N 1 0 418.494 -0.813 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000673424457 1069321001 /nfs/dbraw/zinc/32/10/01/1069321001.db2.gz IOYJKOJJNJXYSA-SFHVURJKSA-N 1 0 418.494 -0.813 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CCCO1 ZINC000673427511 1069322916 /nfs/dbraw/zinc/32/29/16/1069322916.db2.gz SCUZRDCWLXSWBW-KRWDZBQOSA-N 1 0 406.531 -0.319 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CCCO1 ZINC000673427512 1069323153 /nfs/dbraw/zinc/32/31/53/1069323153.db2.gz SCUZRDCWLXSWBW-QGZVFWFLSA-N 1 0 406.531 -0.319 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000673427531 1069322524 /nfs/dbraw/zinc/32/25/24/1069322524.db2.gz XDODXAYBAZJSEU-INIZCTEOSA-N 1 0 412.531 -0.395 20 0 HBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000673427532 1069323265 /nfs/dbraw/zinc/32/32/65/1069323265.db2.gz XDODXAYBAZJSEU-MRXNPFEDSA-N 1 0 412.531 -0.395 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673429218 1069323951 /nfs/dbraw/zinc/32/39/51/1069323951.db2.gz VDPREUWKBGUDRV-AUUYWEPGSA-N 1 0 424.523 -0.398 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673429220 1069323969 /nfs/dbraw/zinc/32/39/69/1069323969.db2.gz VDPREUWKBGUDRV-IFXJQAMLSA-N 1 0 424.523 -0.398 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673429221 1069323678 /nfs/dbraw/zinc/32/36/78/1069323678.db2.gz VDPREUWKBGUDRV-KUHUBIRLSA-N 1 0 424.523 -0.398 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673429224 1069323899 /nfs/dbraw/zinc/32/38/99/1069323899.db2.gz VDPREUWKBGUDRV-LIRRHRJNSA-N 1 0 424.523 -0.398 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446231 1069327784 /nfs/dbraw/zinc/32/77/84/1069327784.db2.gz MYZLGESKAVWKFC-JENIJYKNSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446232 1069327675 /nfs/dbraw/zinc/32/76/75/1069327675.db2.gz MYZLGESKAVWKFC-LNLFQRSKSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446233 1069327382 /nfs/dbraw/zinc/32/73/82/1069327382.db2.gz MYZLGESKAVWKFC-SCTDSRPQSA-N 1 0 410.559 -0.093 20 0 HBADRO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446234 1069327509 /nfs/dbraw/zinc/32/75/09/1069327509.db2.gz MYZLGESKAVWKFC-YQVWRLOYSA-N 1 0 410.559 -0.093 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)CC2=O)c1 ZINC000673447005 1069328392 /nfs/dbraw/zinc/32/83/92/1069328392.db2.gz VVHSZODWRPFNQZ-GDBMZVCRSA-N 1 0 421.523 -0.807 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)CC2=O)c1 ZINC000673447006 1069328225 /nfs/dbraw/zinc/32/82/25/1069328225.db2.gz VVHSZODWRPFNQZ-GOEBONIOSA-N 1 0 421.523 -0.807 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)CC2=O)c1 ZINC000673447007 1069328042 /nfs/dbraw/zinc/32/80/42/1069328042.db2.gz VVHSZODWRPFNQZ-HOCLYGCPSA-N 1 0 421.523 -0.807 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)CC2=O)c1 ZINC000673447008 1069328293 /nfs/dbraw/zinc/32/82/93/1069328293.db2.gz VVHSZODWRPFNQZ-ZBFHGGJFSA-N 1 0 421.523 -0.807 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673454240 1069330427 /nfs/dbraw/zinc/33/04/27/1069330427.db2.gz WTSJEHPBJYJTNT-FHWLQOOXSA-N 1 0 404.511 -0.301 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673454241 1069330735 /nfs/dbraw/zinc/33/07/35/1069330735.db2.gz WTSJEHPBJYJTNT-GBESFXJTSA-N 1 0 404.511 -0.301 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673454242 1069330937 /nfs/dbraw/zinc/33/09/37/1069330937.db2.gz WTSJEHPBJYJTNT-IPMKNSEASA-N 1 0 404.511 -0.301 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673454243 1069330653 /nfs/dbraw/zinc/33/06/53/1069330653.db2.gz WTSJEHPBJYJTNT-OTWHNJEPSA-N 1 0 404.511 -0.301 20 0 HBADRO CC(=O)N(C)CC(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)CN(C)C(C)=O ZINC000673474853 1069334641 /nfs/dbraw/zinc/33/46/41/1069334641.db2.gz MNAINJDNRJJVMZ-UHFFFAOYSA-N 1 0 411.547 -0.284 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000673501064 1069337992 /nfs/dbraw/zinc/33/79/92/1069337992.db2.gz USMQBXLBOAPUGS-CVEARBPZSA-N 1 0 402.499 -0.276 20 0 HBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000673501065 1069337826 /nfs/dbraw/zinc/33/78/26/1069337826.db2.gz USMQBXLBOAPUGS-HOTGVXAUSA-N 1 0 402.499 -0.276 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000673501066 1069337688 /nfs/dbraw/zinc/33/76/88/1069337688.db2.gz USMQBXLBOAPUGS-HZPDHXFCSA-N 1 0 402.499 -0.276 20 0 HBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000673501067 1069337913 /nfs/dbraw/zinc/33/79/13/1069337913.db2.gz USMQBXLBOAPUGS-JKSUJKDBSA-N 1 0 402.499 -0.276 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512166 1069339583 /nfs/dbraw/zinc/33/95/83/1069339583.db2.gz ZAPVZXSCJSNFPP-CVEARBPZSA-N 1 0 422.507 -0.912 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512170 1069339466 /nfs/dbraw/zinc/33/94/66/1069339466.db2.gz ZAPVZXSCJSNFPP-HOTGVXAUSA-N 1 0 422.507 -0.912 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512173 1069339261 /nfs/dbraw/zinc/33/92/61/1069339261.db2.gz ZAPVZXSCJSNFPP-HZPDHXFCSA-N 1 0 422.507 -0.912 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512357 1069339653 /nfs/dbraw/zinc/33/96/53/1069339653.db2.gz ZAPVZXSCJSNFPP-JKSUJKDBSA-N 1 0 422.507 -0.912 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)CC2=O)c1 ZINC000673515810 1069340243 /nfs/dbraw/zinc/34/02/43/1069340243.db2.gz LOGNBWBHHURUOI-BMFZPTHFSA-N 1 0 422.507 -0.646 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)CC2=O)c1 ZINC000673515819 1069340164 /nfs/dbraw/zinc/34/01/64/1069340164.db2.gz LOGNBWBHHURUOI-FVQBIDKESA-N 1 0 422.507 -0.646 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)CC2=O)c1 ZINC000673515823 1069339974 /nfs/dbraw/zinc/33/99/74/1069339974.db2.gz LOGNBWBHHURUOI-KBMXLJTQSA-N 1 0 422.507 -0.646 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)CC2=O)c1 ZINC000673515826 1069340415 /nfs/dbraw/zinc/34/04/15/1069340415.db2.gz LOGNBWBHHURUOI-VNQPRFMTSA-N 1 0 422.507 -0.646 20 0 HBADRO COc1ccc(CC(=O)N[C@H](CO)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000673519460 1069340199 /nfs/dbraw/zinc/34/01/99/1069340199.db2.gz SGTMROPKWMQUCS-HNNXBMFYSA-N 1 0 415.512 -0.703 20 0 HBADRO COc1ccc(CC(=O)N[C@@H](CO)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000673519461 1069340043 /nfs/dbraw/zinc/34/00/43/1069340043.db2.gz SGTMROPKWMQUCS-OAHLLOKOSA-N 1 0 415.512 -0.703 20 0 HBADRO C[NH+](C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000673522146 1069341285 /nfs/dbraw/zinc/34/12/85/1069341285.db2.gz DGEYDNIDIYGEDJ-CYBMUJFWSA-N 1 0 401.485 -0.445 20 0 HBADRO C[NH+](C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000673522147 1069341000 /nfs/dbraw/zinc/34/10/00/1069341000.db2.gz DGEYDNIDIYGEDJ-ZDUSSCGKSA-N 1 0 401.485 -0.445 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](CO)C[NH+](C)C)n2C ZINC000673524062 1069341085 /nfs/dbraw/zinc/34/10/85/1069341085.db2.gz NMSZBBGUNHWJPS-CYBMUJFWSA-N 1 0 411.528 -0.205 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](CO)C[NH+](C)C)n2C ZINC000673524063 1069341263 /nfs/dbraw/zinc/34/12/63/1069341263.db2.gz NMSZBBGUNHWJPS-ZDUSSCGKSA-N 1 0 411.528 -0.205 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000673526418 1069341388 /nfs/dbraw/zinc/34/13/88/1069341388.db2.gz MYFQPFGOFHBUGE-GOSISDBHSA-N 1 0 417.510 -0.002 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000673526419 1069341180 /nfs/dbraw/zinc/34/11/80/1069341180.db2.gz MYFQPFGOFHBUGE-SFHVURJKSA-N 1 0 417.510 -0.002 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000673526965 1069341137 /nfs/dbraw/zinc/34/11/37/1069341137.db2.gz OCJWLTSNRZJUCG-GOSISDBHSA-N 1 0 416.526 -0.211 20 0 HBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000673526966 1069341043 /nfs/dbraw/zinc/34/10/43/1069341043.db2.gz OCJWLTSNRZJUCG-SFHVURJKSA-N 1 0 416.526 -0.211 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cn1ncn(C)c1=O ZINC000673530916 1069341724 /nfs/dbraw/zinc/34/17/24/1069341724.db2.gz KIHDZCNWBAOWJD-UHFFFAOYSA-N 1 0 400.439 -0.732 20 0 HBADRO CN(C)S(=O)(=O)CCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000673531570 1069341662 /nfs/dbraw/zinc/34/16/62/1069341662.db2.gz QRMHAQMHUMZHMR-UHFFFAOYSA-N 1 0 424.523 -0.046 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)cc1 ZINC000673531588 1069342059 /nfs/dbraw/zinc/34/20/59/1069342059.db2.gz NDOXABRBXSADBD-GOSISDBHSA-N 1 0 424.567 -0.126 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)cc1 ZINC000673531626 1069341816 /nfs/dbraw/zinc/34/18/16/1069341816.db2.gz NDOXABRBXSADBD-SFHVURJKSA-N 1 0 424.567 -0.126 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000673532242 1069341933 /nfs/dbraw/zinc/34/19/33/1069341933.db2.gz XXXWRAFXJDVIPB-CYBMUJFWSA-N 1 0 402.542 -0.061 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000673532282 1069341791 /nfs/dbraw/zinc/34/17/91/1069341791.db2.gz XXXWRAFXJDVIPB-ZDUSSCGKSA-N 1 0 402.542 -0.061 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CO)C[NH+]2CCCC2)cc1OC ZINC000673532924 1069343213 /nfs/dbraw/zinc/34/32/13/1069343213.db2.gz YMEXEULCSGIWRU-AWEZNQCLSA-N 1 0 415.512 -0.055 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1OC ZINC000673532925 1069343004 /nfs/dbraw/zinc/34/30/04/1069343004.db2.gz YMEXEULCSGIWRU-CQSZACIVSA-N 1 0 415.512 -0.055 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)cn1C ZINC000673533335 1069342762 /nfs/dbraw/zinc/34/27/62/1069342762.db2.gz YORBGYAHWHFZJH-INIZCTEOSA-N 1 0 413.544 -0.298 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)cn1C ZINC000673533338 1069342956 /nfs/dbraw/zinc/34/29/56/1069342956.db2.gz YORBGYAHWHFZJH-MRXNPFEDSA-N 1 0 413.544 -0.298 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1C(=O)CN(C)C1=O ZINC000673533711 1069343926 /nfs/dbraw/zinc/34/39/26/1069343926.db2.gz FVWLXDFSSQKFMI-UHFFFAOYSA-N 1 0 415.450 -0.433 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000673534091 1069342377 /nfs/dbraw/zinc/34/23/77/1069342377.db2.gz QQIAFBSFRPAZRF-UHFFFAOYSA-N 1 0 413.434 -0.365 20 0 HBADRO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000673534120 1069342285 /nfs/dbraw/zinc/34/22/85/1069342285.db2.gz SNENIQMCUAATBO-UHFFFAOYSA-N 1 0 410.496 -0.388 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN1CCCS1(=O)=O ZINC000673534145 1069342457 /nfs/dbraw/zinc/34/24/57/1069342457.db2.gz URTKKGXKRBNHIL-UHFFFAOYSA-N 1 0 422.507 -0.292 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)S(C)(=O)=O ZINC000673534557 1069343762 /nfs/dbraw/zinc/34/37/62/1069343762.db2.gz SXUDBAIXYJKALA-UHFFFAOYSA-N 1 0 410.496 -0.436 20 0 HBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000673534834 1069343500 /nfs/dbraw/zinc/34/35/00/1069343500.db2.gz TVVSOUVKRJWCTQ-AWEZNQCLSA-N 1 0 401.423 -0.729 20 0 HBADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000673538630 1069345000 /nfs/dbraw/zinc/34/50/00/1069345000.db2.gz LFORCKTWFMSFSN-CVEARBPZSA-N 1 0 412.498 -0.237 20 0 HBADRO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000673538631 1069344861 /nfs/dbraw/zinc/34/48/61/1069344861.db2.gz LFORCKTWFMSFSN-HOTGVXAUSA-N 1 0 412.498 -0.237 20 0 HBADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673538632 1069344696 /nfs/dbraw/zinc/34/46/96/1069344696.db2.gz LFORCKTWFMSFSN-HZPDHXFCSA-N 1 0 412.498 -0.237 20 0 HBADRO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673538633 1069345979 /nfs/dbraw/zinc/34/59/79/1069345979.db2.gz LFORCKTWFMSFSN-JKSUJKDBSA-N 1 0 412.498 -0.237 20 0 HBADRO Cc1nc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673543286 1069348544 /nfs/dbraw/zinc/34/85/44/1069348544.db2.gz BNIOKMMCAZDCLM-SSDOTTSWSA-N 1 0 403.369 -0.491 20 0 HBADRO Cc1nc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673543287 1069348633 /nfs/dbraw/zinc/34/86/33/1069348633.db2.gz BNIOKMMCAZDCLM-ZETCQYMHSA-N 1 0 403.369 -0.491 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000673548461 1069351082 /nfs/dbraw/zinc/35/10/82/1069351082.db2.gz BHZWJFHPTRRCEP-GDBMZVCRSA-N 1 0 415.560 -0.170 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000673548462 1069351662 /nfs/dbraw/zinc/35/16/62/1069351662.db2.gz BHZWJFHPTRRCEP-GOEBONIOSA-N 1 0 415.560 -0.170 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000673548463 1069351344 /nfs/dbraw/zinc/35/13/44/1069351344.db2.gz BHZWJFHPTRRCEP-HOCLYGCPSA-N 1 0 415.560 -0.170 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000673548464 1069351386 /nfs/dbraw/zinc/35/13/86/1069351386.db2.gz BHZWJFHPTRRCEP-ZBFHGGJFSA-N 1 0 415.560 -0.170 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CNS(=O)(=O)c2cccs2)CC1=O ZINC000673550004 1069353931 /nfs/dbraw/zinc/35/39/31/1069353931.db2.gz OJPJLSHZWRAVBX-CYBMUJFWSA-N 1 0 418.541 -0.678 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)CC1=O ZINC000673550005 1069353698 /nfs/dbraw/zinc/35/36/98/1069353698.db2.gz OJPJLSHZWRAVBX-ZDUSSCGKSA-N 1 0 418.541 -0.678 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)CC1=O ZINC000673550070 1069353777 /nfs/dbraw/zinc/35/37/77/1069353777.db2.gz ALRAGBXEVDKYBM-GFCCVEGCSA-N 1 0 404.514 -0.696 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)CC1=O ZINC000673550071 1069353499 /nfs/dbraw/zinc/35/34/99/1069353499.db2.gz ALRAGBXEVDKYBM-LBPRGKRZSA-N 1 0 404.514 -0.696 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(N3CCOCC3)ccn2)CC1=O ZINC000673550169 1069352214 /nfs/dbraw/zinc/35/22/14/1069352214.db2.gz OCMVTNUICRDYPI-INIZCTEOSA-N 1 0 405.499 -0.173 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)CC1=O ZINC000673550170 1069352148 /nfs/dbraw/zinc/35/21/48/1069352148.db2.gz OCMVTNUICRDYPI-MRXNPFEDSA-N 1 0 405.499 -0.173 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)CC1=O ZINC000673550181 1069352582 /nfs/dbraw/zinc/35/25/82/1069352582.db2.gz RTCXFTXYOKKQHY-INIZCTEOSA-N 1 0 401.471 -0.365 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2nnc(-c3ccccc3)n2)CC1=O ZINC000673550182 1069352448 /nfs/dbraw/zinc/35/24/48/1069352448.db2.gz RTCXFTXYOKKQHY-MRXNPFEDSA-N 1 0 401.471 -0.365 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000673550212 1069353095 /nfs/dbraw/zinc/35/30/95/1069353095.db2.gz ZDGFLNOVEJDXFU-AGIUHOORSA-N 1 0 408.421 -0.261 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000673550213 1069352860 /nfs/dbraw/zinc/35/28/60/1069352860.db2.gz ZDGFLNOVEJDXFU-FRRDWIJNSA-N 1 0 408.421 -0.261 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000673550214 1069352821 /nfs/dbraw/zinc/35/28/21/1069352821.db2.gz ZDGFLNOVEJDXFU-JHJVBQTASA-N 1 0 408.421 -0.261 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000673550215 1069353176 /nfs/dbraw/zinc/35/31/76/1069353176.db2.gz ZDGFLNOVEJDXFU-UPJWGTAASA-N 1 0 408.421 -0.261 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1=O ZINC000673550343 1069352404 /nfs/dbraw/zinc/35/24/04/1069352404.db2.gz CGPNJJQBOBPEAG-DZGCQCFKSA-N 1 0 406.549 -0.754 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1=O ZINC000673550344 1069352310 /nfs/dbraw/zinc/35/23/10/1069352310.db2.gz CGPNJJQBOBPEAG-HIFRSBDPSA-N 1 0 406.549 -0.754 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1=O ZINC000673550345 1069351994 /nfs/dbraw/zinc/35/19/94/1069351994.db2.gz CGPNJJQBOBPEAG-UKRRQHHQSA-N 1 0 406.549 -0.754 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1=O ZINC000673550346 1069352073 /nfs/dbraw/zinc/35/20/73/1069352073.db2.gz CGPNJJQBOBPEAG-ZFWWWQNUSA-N 1 0 406.549 -0.754 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)CC1=O ZINC000673550371 1069352356 /nfs/dbraw/zinc/35/23/56/1069352356.db2.gz RZLJTUZOLGKVJU-AWEZNQCLSA-N 1 0 412.512 -0.449 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)CC1=O ZINC000673550375 1069352508 /nfs/dbraw/zinc/35/25/08/1069352508.db2.gz RZLJTUZOLGKVJU-CQSZACIVSA-N 1 0 412.512 -0.449 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)oc2C)CC1=O ZINC000673550429 1069352186 /nfs/dbraw/zinc/35/21/86/1069352186.db2.gz KYDFSQOPVKDSGJ-GFCCVEGCSA-N 1 0 402.473 -0.856 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)oc2C)CC1=O ZINC000673550430 1069352107 /nfs/dbraw/zinc/35/21/07/1069352107.db2.gz KYDFSQOPVKDSGJ-LBPRGKRZSA-N 1 0 402.473 -0.856 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2cnc3sccc3c2=O)CC1=O ZINC000673550456 1069352270 /nfs/dbraw/zinc/35/22/70/1069352270.db2.gz YGSKGRLWINVXMY-CYBMUJFWSA-N 1 0 407.496 -0.247 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2cnc3sccc3c2=O)CC1=O ZINC000673550457 1069352037 /nfs/dbraw/zinc/35/20/37/1069352037.db2.gz YGSKGRLWINVXMY-ZDUSSCGKSA-N 1 0 407.496 -0.247 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1=O ZINC000673550502 1069353819 /nfs/dbraw/zinc/35/38/19/1069353819.db2.gz XGWLHXRKBZCPKS-AWEZNQCLSA-N 1 0 417.470 -0.415 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1=O ZINC000673550503 1069353556 /nfs/dbraw/zinc/35/35/56/1069353556.db2.gz XGWLHXRKBZCPKS-CQSZACIVSA-N 1 0 417.470 -0.415 20 0 HBADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000673580140 1069365602 /nfs/dbraw/zinc/36/56/02/1069365602.db2.gz VQDXRXWWHSAODF-UHFFFAOYSA-N 1 0 406.530 -0.523 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)ccn1 ZINC000673581924 1069365531 /nfs/dbraw/zinc/36/55/31/1069365531.db2.gz PSIPFRDITDBQDR-GOSISDBHSA-N 1 0 419.526 -0.039 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccn1 ZINC000673581925 1069365727 /nfs/dbraw/zinc/36/57/27/1069365727.db2.gz PSIPFRDITDBQDR-SFHVURJKSA-N 1 0 419.526 -0.039 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582980 1069367382 /nfs/dbraw/zinc/36/73/82/1069367382.db2.gz DXEUCWAYBPTBPZ-MSOLQXFVSA-N 1 0 423.558 -0.897 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582981 1069367192 /nfs/dbraw/zinc/36/71/92/1069367192.db2.gz DXEUCWAYBPTBPZ-QZTJIDSGSA-N 1 0 423.558 -0.897 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582982 1069367312 /nfs/dbraw/zinc/36/73/12/1069367312.db2.gz DXEUCWAYBPTBPZ-ROUUACIJSA-N 1 0 423.558 -0.897 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582983 1069367453 /nfs/dbraw/zinc/36/74/53/1069367453.db2.gz DXEUCWAYBPTBPZ-ZWKOTPCHSA-N 1 0 423.558 -0.897 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583161 1069367176 /nfs/dbraw/zinc/36/71/76/1069367176.db2.gz MIMZSJRLPUPWJQ-BFHYXJOUSA-N 1 0 420.432 -0.240 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583162 1069367263 /nfs/dbraw/zinc/36/72/63/1069367263.db2.gz MIMZSJRLPUPWJQ-MCIONIFRSA-N 1 0 420.432 -0.240 20 0 HBADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583163 1069366391 /nfs/dbraw/zinc/36/63/91/1069366391.db2.gz MIMZSJRLPUPWJQ-MGPQQGTHSA-N 1 0 420.432 -0.240 20 0 HBADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583164 1069366304 /nfs/dbraw/zinc/36/63/04/1069366304.db2.gz MIMZSJRLPUPWJQ-MJBXVCDLSA-N 1 0 420.432 -0.240 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000673583267 1069366786 /nfs/dbraw/zinc/36/67/86/1069366786.db2.gz GELPZVQCJYZLOH-GUDVDZBRSA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000673583268 1069366911 /nfs/dbraw/zinc/36/69/11/1069366911.db2.gz GELPZVQCJYZLOH-IPMKNSEASA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000673583269 1069366817 /nfs/dbraw/zinc/36/68/17/1069366817.db2.gz GELPZVQCJYZLOH-OTWHNJEPSA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000673583270 1069366851 /nfs/dbraw/zinc/36/68/51/1069366851.db2.gz GELPZVQCJYZLOH-QRVBRYPASA-N 1 0 408.543 -0.196 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583317 1069366321 /nfs/dbraw/zinc/36/63/21/1069366321.db2.gz UEZPFUDQGUTXCM-MSOLQXFVSA-N 1 0 416.526 -0.072 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583318 1069366262 /nfs/dbraw/zinc/36/62/62/1069366262.db2.gz UEZPFUDQGUTXCM-QZTJIDSGSA-N 1 0 416.526 -0.072 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583319 1069366495 /nfs/dbraw/zinc/36/64/95/1069366495.db2.gz UEZPFUDQGUTXCM-ROUUACIJSA-N 1 0 416.526 -0.072 20 0 HBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583320 1069366228 /nfs/dbraw/zinc/36/62/28/1069366228.db2.gz UEZPFUDQGUTXCM-ZWKOTPCHSA-N 1 0 416.526 -0.072 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O ZINC000673583708 1069368070 /nfs/dbraw/zinc/36/80/70/1069368070.db2.gz VWWBYIAHICDTHH-CVEARBPZSA-N 1 0 418.560 -0.732 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O ZINC000673583709 1069367791 /nfs/dbraw/zinc/36/77/91/1069367791.db2.gz VWWBYIAHICDTHH-HOTGVXAUSA-N 1 0 418.560 -0.732 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)S(C)(=O)=O ZINC000673583710 1069367828 /nfs/dbraw/zinc/36/78/28/1069367828.db2.gz VWWBYIAHICDTHH-HZPDHXFCSA-N 1 0 418.560 -0.732 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)S(C)(=O)=O ZINC000673583711 1069368045 /nfs/dbraw/zinc/36/80/45/1069368045.db2.gz VWWBYIAHICDTHH-JKSUJKDBSA-N 1 0 418.560 -0.732 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584074 1069368078 /nfs/dbraw/zinc/36/80/78/1069368078.db2.gz NNNMQQSXTNJGQG-CVEARBPZSA-N 1 0 418.560 -0.732 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584075 1069367959 /nfs/dbraw/zinc/36/79/59/1069367959.db2.gz NNNMQQSXTNJGQG-HOTGVXAUSA-N 1 0 418.560 -0.732 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584076 1069367809 /nfs/dbraw/zinc/36/78/09/1069367809.db2.gz NNNMQQSXTNJGQG-HZPDHXFCSA-N 1 0 418.560 -0.732 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584077 1069368019 /nfs/dbraw/zinc/36/80/19/1069368019.db2.gz NNNMQQSXTNJGQG-JKSUJKDBSA-N 1 0 418.560 -0.732 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584719 1069369319 /nfs/dbraw/zinc/36/93/19/1069369319.db2.gz YMLSPDNIHBQRLH-BZUAXINKSA-N 1 0 416.544 -0.979 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584720 1069369942 /nfs/dbraw/zinc/36/99/42/1069369942.db2.gz YMLSPDNIHBQRLH-OAGGEKHMSA-N 1 0 416.544 -0.979 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584721 1069369755 /nfs/dbraw/zinc/36/97/55/1069369755.db2.gz YMLSPDNIHBQRLH-OWCLPIDISA-N 1 0 416.544 -0.979 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584722 1069369908 /nfs/dbraw/zinc/36/99/08/1069369908.db2.gz YMLSPDNIHBQRLH-PMPSAXMXSA-N 1 0 416.544 -0.979 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000673585871 1069368501 /nfs/dbraw/zinc/36/85/01/1069368501.db2.gz LUHRWXBAKSIMSA-CBGDNZLLSA-N 1 0 406.527 -0.001 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000673585872 1069368621 /nfs/dbraw/zinc/36/86/21/1069368621.db2.gz LUHRWXBAKSIMSA-CSODHUTKSA-N 1 0 406.527 -0.001 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000673585873 1069368661 /nfs/dbraw/zinc/36/86/61/1069368661.db2.gz LUHRWXBAKSIMSA-LLGFUMIMSA-N 1 0 406.527 -0.001 20 0 HBADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000673585874 1069368678 /nfs/dbraw/zinc/36/86/78/1069368678.db2.gz LUHRWXBAKSIMSA-XGHQBKJUSA-N 1 0 406.527 -0.001 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673588137 1069371124 /nfs/dbraw/zinc/37/11/24/1069371124.db2.gz KDKJOJMZDSPSHW-GUDVDZBRSA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673588138 1069371402 /nfs/dbraw/zinc/37/14/02/1069371402.db2.gz KDKJOJMZDSPSHW-IPMKNSEASA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673588139 1069371203 /nfs/dbraw/zinc/37/12/03/1069371203.db2.gz KDKJOJMZDSPSHW-OTWHNJEPSA-N 1 0 408.543 -0.196 20 0 HBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673588140 1069371082 /nfs/dbraw/zinc/37/10/82/1069371082.db2.gz KDKJOJMZDSPSHW-QRVBRYPASA-N 1 0 408.543 -0.196 20 0 HBADRO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CCC2 ZINC000673618880 1069381003 /nfs/dbraw/zinc/38/10/03/1069381003.db2.gz JHOUQYWSFKBOGA-KRWDZBQOSA-N 1 0 416.526 -0.048 20 0 HBADRO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CCC2 ZINC000673618881 1069380641 /nfs/dbraw/zinc/38/06/41/1069380641.db2.gz JHOUQYWSFKBOGA-QGZVFWFLSA-N 1 0 416.526 -0.048 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673636575 1069384333 /nfs/dbraw/zinc/38/43/33/1069384333.db2.gz QPLRLTXNBLLTBB-UHFFFAOYSA-N 1 0 410.544 -0.456 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000673636748 1069384978 /nfs/dbraw/zinc/38/49/78/1069384978.db2.gz YOLFBAHUIIYVJC-UHFFFAOYSA-N 1 0 409.556 -0.002 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000673646259 1069386904 /nfs/dbraw/zinc/38/69/04/1069386904.db2.gz AOSPFOACWVBEPQ-UHFFFAOYSA-N 1 0 423.583 -0.259 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673646633 1069387548 /nfs/dbraw/zinc/38/75/48/1069387548.db2.gz PBSKCCBMXWHWOB-IBGZPJMESA-N 1 0 410.540 -0.683 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673646635 1069387250 /nfs/dbraw/zinc/38/72/50/1069387250.db2.gz PBSKCCBMXWHWOB-LJQANCHMSA-N 1 0 410.540 -0.683 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000673646799 1069388783 /nfs/dbraw/zinc/38/87/83/1069388783.db2.gz YQPBAEFXDXLFIO-UHFFFAOYSA-N 1 0 402.561 -0.285 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673647382 1069387288 /nfs/dbraw/zinc/38/72/88/1069387288.db2.gz WVULPAKYRCAFTD-UHFFFAOYSA-N 1 0 424.571 -0.713 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000673647470 1069387497 /nfs/dbraw/zinc/38/74/97/1069387497.db2.gz YQTMRJJHHZEOOX-UHFFFAOYSA-N 1 0 423.583 -0.108 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c[nH]1 ZINC000673650511 1069389472 /nfs/dbraw/zinc/38/94/72/1069389472.db2.gz WQNXLEUAXDFZBJ-CYBMUJFWSA-N 1 0 413.500 -0.895 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c[nH]1 ZINC000673650512 1069389638 /nfs/dbraw/zinc/38/96/38/1069389638.db2.gz WQNXLEUAXDFZBJ-ZDUSSCGKSA-N 1 0 413.500 -0.895 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673662607 1069393947 /nfs/dbraw/zinc/39/39/47/1069393947.db2.gz SLQQFTLTMFMQBB-CABCVRRESA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673662634 1069394024 /nfs/dbraw/zinc/39/40/24/1069394024.db2.gz SLQQFTLTMFMQBB-GJZGRUSLSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673662636 1069393804 /nfs/dbraw/zinc/39/38/04/1069393804.db2.gz SLQQFTLTMFMQBB-HUUCEWRRSA-N 1 0 424.523 -0.086 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000673662639 1069394112 /nfs/dbraw/zinc/39/41/12/1069394112.db2.gz SLQQFTLTMFMQBB-LSDHHAIUSA-N 1 0 424.523 -0.086 20 0 HBADRO CC[NH+]1CCN(CC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000673667959 1069394625 /nfs/dbraw/zinc/39/46/25/1069394625.db2.gz CLERETUTUHZWFH-UHFFFAOYSA-N 1 0 410.544 -0.261 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000673668767 1069394395 /nfs/dbraw/zinc/39/43/95/1069394395.db2.gz JKQVBSUSSIEFCF-AWEZNQCLSA-N 1 0 413.544 -0.162 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000673668768 1069395034 /nfs/dbraw/zinc/39/50/34/1069395034.db2.gz JKQVBSUSSIEFCF-CQSZACIVSA-N 1 0 413.544 -0.162 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCN2CCC[N@H+](C)CC2)c1 ZINC000673670451 1069393969 /nfs/dbraw/zinc/39/39/69/1069393969.db2.gz KCWCXNCKIJKTHZ-UHFFFAOYSA-N 1 0 401.533 -0.303 20 0 HBADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000673673066 1069395011 /nfs/dbraw/zinc/39/50/11/1069395011.db2.gz PUSXGJOOCWRZSH-HNNXBMFYSA-N 1 0 413.544 -0.162 20 0 HBADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000673673068 1069395095 /nfs/dbraw/zinc/39/50/95/1069395095.db2.gz PUSXGJOOCWRZSH-OAHLLOKOSA-N 1 0 413.544 -0.162 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673673617 1069394991 /nfs/dbraw/zinc/39/49/91/1069394991.db2.gz SWIAGACHNGHFMG-HNNXBMFYSA-N 1 0 413.544 -0.209 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000673673621 1069395134 /nfs/dbraw/zinc/39/51/34/1069395134.db2.gz SWIAGACHNGHFMG-OAHLLOKOSA-N 1 0 413.544 -0.209 20 0 HBADRO Cc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1S(N)(=O)=O ZINC000673680324 1069395333 /nfs/dbraw/zinc/39/53/33/1069395333.db2.gz KFMNUOSSMJQUIS-UHFFFAOYSA-N 1 0 408.484 -0.231 20 0 HBADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000673706140 1069396158 /nfs/dbraw/zinc/39/61/58/1069396158.db2.gz OCPNQTDGLPIGPK-KRWDZBQOSA-N 1 0 401.577 -0.063 20 0 HBADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000673706145 1069396087 /nfs/dbraw/zinc/39/60/87/1069396087.db2.gz OCPNQTDGLPIGPK-QGZVFWFLSA-N 1 0 401.577 -0.063 20 0 HBADRO C[C@H](CCN1CCC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000673717772 1069396030 /nfs/dbraw/zinc/39/60/30/1069396030.db2.gz IWZJSPVIDLTOFD-BZUAXINKSA-N 1 0 410.606 -0.208 20 0 HBADRO C[C@H](CCN1CCC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000673717777 1069396961 /nfs/dbraw/zinc/39/69/61/1069396961.db2.gz IWZJSPVIDLTOFD-OAGGEKHMSA-N 1 0 410.606 -0.208 20 0 HBADRO C[C@H](CCN1CCC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000673717778 1069396593 /nfs/dbraw/zinc/39/65/93/1069396593.db2.gz IWZJSPVIDLTOFD-OWCLPIDISA-N 1 0 410.606 -0.208 20 0 HBADRO C[C@H](CCN1CCC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000673717779 1069396841 /nfs/dbraw/zinc/39/68/41/1069396841.db2.gz IWZJSPVIDLTOFD-PMPSAXMXSA-N 1 0 410.606 -0.208 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000673772856 1069398655 /nfs/dbraw/zinc/39/86/55/1069398655.db2.gz JRQMZIIIPGUPBY-KRWDZBQOSA-N 1 0 419.592 -0.294 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000673772859 1069399062 /nfs/dbraw/zinc/39/90/62/1069399062.db2.gz JRQMZIIIPGUPBY-QGZVFWFLSA-N 1 0 419.592 -0.294 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000673842644 1069403870 /nfs/dbraw/zinc/40/38/70/1069403870.db2.gz DEIDAQPIGVNYIJ-UHFFFAOYSA-N 1 0 400.501 -0.768 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000673849943 1069404600 /nfs/dbraw/zinc/40/46/00/1069404600.db2.gz LEZUHFBBBNWBAJ-UHFFFAOYSA-N 1 0 403.549 -0.930 20 0 HBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000673860264 1069405272 /nfs/dbraw/zinc/40/52/72/1069405272.db2.gz BKRSUXPLYIPVHV-UHFFFAOYSA-N 1 0 421.483 -0.006 20 0 HBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000673864348 1069405213 /nfs/dbraw/zinc/40/52/13/1069405213.db2.gz KUAANKBZMHZUNV-UHFFFAOYSA-N 1 0 413.438 -0.198 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000673868077 1069405138 /nfs/dbraw/zinc/40/51/38/1069405138.db2.gz WVHCZGAXFHXTNI-UHFFFAOYSA-N 1 0 415.520 -0.829 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC000673870957 1069406015 /nfs/dbraw/zinc/40/60/15/1069406015.db2.gz GBEYWFXIRGCCEV-UHFFFAOYSA-N 1 0 405.459 -0.730 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673872762 1069405899 /nfs/dbraw/zinc/40/58/99/1069405899.db2.gz KAUXBGXFQKHGRN-UHFFFAOYSA-N 1 0 412.516 -0.197 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1)N1CCOCC1 ZINC000673873170 1069405914 /nfs/dbraw/zinc/40/59/14/1069405914.db2.gz GQWSQPUHSXQKOI-DLBZAZTESA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1)N1CCOCC1 ZINC000673873171 1069406059 /nfs/dbraw/zinc/40/60/59/1069406059.db2.gz GQWSQPUHSXQKOI-IAGOWNOFSA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1)N1CCOCC1 ZINC000673873172 1069405988 /nfs/dbraw/zinc/40/59/88/1069405988.db2.gz GQWSQPUHSXQKOI-IRXDYDNUSA-N 1 0 406.487 -0.195 20 0 HBADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1)N1CCOCC1 ZINC000673873173 1069406617 /nfs/dbraw/zinc/40/66/17/1069406617.db2.gz GQWSQPUHSXQKOI-SJORKVTESA-N 1 0 406.487 -0.195 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000673873247 1069406470 /nfs/dbraw/zinc/40/64/70/1069406470.db2.gz IUYMQHKHQPWLHT-UHFFFAOYSA-N 1 0 407.519 -0.111 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000673873557 1069405818 /nfs/dbraw/zinc/40/58/18/1069405818.db2.gz XHLPSANWMSGNFB-UHFFFAOYSA-N 1 0 407.519 -0.109 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000673873872 1069407166 /nfs/dbraw/zinc/40/71/66/1069407166.db2.gz AAXFYWHHHAWXBK-UHFFFAOYSA-N 1 0 423.518 -0.433 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000673877708 1069407546 /nfs/dbraw/zinc/40/75/46/1069407546.db2.gz ZTCIWEMBTGQNBQ-UHFFFAOYSA-N 1 0 419.592 -0.248 20 0 HBADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000673894642 1069408633 /nfs/dbraw/zinc/40/86/33/1069408633.db2.gz BFMNJULUDHCUSP-UHFFFAOYSA-N 1 0 424.567 -0.092 20 0 HBADRO CC(C)(CO)[NH+]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000673896412 1069408985 /nfs/dbraw/zinc/40/89/85/1069408985.db2.gz SIWZGGRTPZDTIV-UHFFFAOYSA-N 1 0 412.556 -0.229 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673904650 1069408920 /nfs/dbraw/zinc/40/89/20/1069408920.db2.gz ARDPQXRMBUEWJP-KRWDZBQOSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673904655 1069409376 /nfs/dbraw/zinc/40/93/76/1069409376.db2.gz ARDPQXRMBUEWJP-QGZVFWFLSA-N 1 0 404.577 -0.042 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000673907317 1069409039 /nfs/dbraw/zinc/40/90/39/1069409039.db2.gz WKJVBYKZGFBTRO-HNNXBMFYSA-N 1 0 404.533 -0.729 20 0 HBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000673907318 1069409425 /nfs/dbraw/zinc/40/94/25/1069409425.db2.gz WKJVBYKZGFBTRO-OAHLLOKOSA-N 1 0 404.533 -0.729 20 0 HBADRO C[C@]1(c2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000673963201 1069415582 /nfs/dbraw/zinc/41/55/82/1069415582.db2.gz HONQXXJFGCAZPH-DYESRHJHSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@]1(c2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000673963202 1069415439 /nfs/dbraw/zinc/41/54/39/1069415439.db2.gz HONQXXJFGCAZPH-LAUBAEHRSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@@]1(c2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000673963203 1069416237 /nfs/dbraw/zinc/41/62/37/1069416237.db2.gz HONQXXJFGCAZPH-UTKZUKDTSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@@]1(c2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)NC(=O)NC1=O ZINC000673963204 1069416217 /nfs/dbraw/zinc/41/62/17/1069416217.db2.gz HONQXXJFGCAZPH-UWJYYQICSA-N 1 0 415.494 -0.123 20 0 HBADRO C[NH+](C)CCCOC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000674030191 1069428439 /nfs/dbraw/zinc/42/84/39/1069428439.db2.gz QUSZPCFPBXBPFD-UHFFFAOYSA-N 1 0 419.592 -0.294 20 0 HBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000674039141 1069430046 /nfs/dbraw/zinc/43/00/46/1069430046.db2.gz MEXSLZNZDKBHLG-UHFFFAOYSA-N 1 0 411.528 -0.054 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674157907 1069434109 /nfs/dbraw/zinc/43/41/09/1069434109.db2.gz CKFWJLSMNQVNIW-CVEARBPZSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674157911 1069434251 /nfs/dbraw/zinc/43/42/51/1069434251.db2.gz CKFWJLSMNQVNIW-HOTGVXAUSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674157912 1069434229 /nfs/dbraw/zinc/43/42/29/1069434229.db2.gz CKFWJLSMNQVNIW-HZPDHXFCSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674157913 1069434156 /nfs/dbraw/zinc/43/41/56/1069434156.db2.gz CKFWJLSMNQVNIW-JKSUJKDBSA-N 1 0 403.549 -0.884 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C/C=C\C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234012 1069437166 /nfs/dbraw/zinc/43/71/66/1069437166.db2.gz WDOLTKVMGLAHTI-HFZJXRFXSA-N 1 0 408.590 -0.430 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C/C=C/C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234019 1069437090 /nfs/dbraw/zinc/43/70/90/1069437090.db2.gz WDOLTKVMGLAHTI-PIGHNIFASA-N 1 0 408.590 -0.430 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274727 1069438444 /nfs/dbraw/zinc/43/84/44/1069438444.db2.gz XVNKUMYPPSTCMU-AWEZNQCLSA-N 1 0 414.532 -0.438 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274728 1069438281 /nfs/dbraw/zinc/43/82/81/1069438281.db2.gz XVNKUMYPPSTCMU-CQSZACIVSA-N 1 0 414.532 -0.438 20 0 HBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC000674284856 1069439157 /nfs/dbraw/zinc/43/91/57/1069439157.db2.gz OBVUFMDXHMNVIX-UHFFFAOYSA-N 1 0 403.443 -0.204 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000674292286 1069439082 /nfs/dbraw/zinc/43/90/82/1069439082.db2.gz GFWQAXQJGGVCOM-UHFFFAOYSA-N 1 0 402.521 -0.581 20 0 HBADRO Cn1cc(N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC000674293769 1069438920 /nfs/dbraw/zinc/43/89/20/1069438920.db2.gz AHVYITADTOTSMY-INIZCTEOSA-N 1 0 405.503 -0.815 20 0 HBADRO Cn1cc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC000674293821 1069439186 /nfs/dbraw/zinc/43/91/86/1069439186.db2.gz AHVYITADTOTSMY-MRXNPFEDSA-N 1 0 405.503 -0.815 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674298604 1069439757 /nfs/dbraw/zinc/43/97/57/1069439757.db2.gz WNLVJYGSZGTUCY-CABCVRRESA-N 1 0 401.489 -0.665 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674298805 1069439877 /nfs/dbraw/zinc/43/98/77/1069439877.db2.gz WNLVJYGSZGTUCY-GJZGRUSLSA-N 1 0 401.489 -0.665 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674298806 1069439775 /nfs/dbraw/zinc/43/97/75/1069439775.db2.gz WNLVJYGSZGTUCY-HUUCEWRRSA-N 1 0 401.489 -0.665 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674298807 1069439435 /nfs/dbraw/zinc/43/94/35/1069439435.db2.gz WNLVJYGSZGTUCY-LSDHHAIUSA-N 1 0 401.489 -0.665 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)C1 ZINC000674300354 1069439698 /nfs/dbraw/zinc/43/96/98/1069439698.db2.gz WNWJBDMWZXINRM-INIZCTEOSA-N 1 0 414.532 -0.485 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)C1 ZINC000674300358 1069439867 /nfs/dbraw/zinc/43/98/67/1069439867.db2.gz WNWJBDMWZXINRM-MRXNPFEDSA-N 1 0 414.532 -0.485 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000674309867 1069439521 /nfs/dbraw/zinc/43/95/21/1069439521.db2.gz RDQSUQUMTXFSGC-KRWDZBQOSA-N 1 0 423.558 -0.144 20 0 HBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000674309871 1069439852 /nfs/dbraw/zinc/43/98/52/1069439852.db2.gz RDQSUQUMTXFSGC-QGZVFWFLSA-N 1 0 423.558 -0.144 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000674310775 1069439841 /nfs/dbraw/zinc/43/98/41/1069439841.db2.gz PFWDLUZHQORGSA-CYBMUJFWSA-N 1 0 401.533 -0.069 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000674310777 1069439555 /nfs/dbraw/zinc/43/95/55/1069439555.db2.gz PFWDLUZHQORGSA-ZDUSSCGKSA-N 1 0 401.533 -0.069 20 0 HBADRO COC1CC[NH+](CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000674311115 1069439592 /nfs/dbraw/zinc/43/95/92/1069439592.db2.gz UYUBSBGWLRXMHC-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO COC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000674311280 1069439884 /nfs/dbraw/zinc/43/98/84/1069439884.db2.gz MTLDOSRCFNKKNE-UHFFFAOYSA-N 1 0 414.528 -0.113 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000674313759 1069439858 /nfs/dbraw/zinc/43/98/58/1069439858.db2.gz MEYKJICSCKVCOA-HNNXBMFYSA-N 1 0 400.501 -0.173 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000674313760 1069439652 /nfs/dbraw/zinc/43/96/52/1069439652.db2.gz MEYKJICSCKVCOA-OAHLLOKOSA-N 1 0 400.501 -0.173 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c2ccccc2O1 ZINC000674320216 1069440937 /nfs/dbraw/zinc/44/09/37/1069440937.db2.gz FWFLCXOZDMRKSZ-KRWDZBQOSA-N 1 0 404.467 -0.246 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c2ccccc2O1 ZINC000674320217 1069441155 /nfs/dbraw/zinc/44/11/55/1069441155.db2.gz FWFLCXOZDMRKSZ-QGZVFWFLSA-N 1 0 404.467 -0.246 20 0 HBADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)cc1-n1cnnn1 ZINC000674321125 1069441018 /nfs/dbraw/zinc/44/10/18/1069441018.db2.gz PTEIXIVNKLOAFW-UHFFFAOYSA-N 1 0 403.443 -0.164 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[NH+]1CCC(OC)CC1)CC2 ZINC000674321550 1069440535 /nfs/dbraw/zinc/44/05/35/1069440535.db2.gz YGMARDSMQORABC-UHFFFAOYSA-N 1 0 424.523 -0.289 20 0 HBADRO COC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000674323488 1069440410 /nfs/dbraw/zinc/44/04/10/1069440410.db2.gz DYMPFBXIALCQDW-UHFFFAOYSA-N 1 0 424.523 -0.352 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000674325169 1069440527 /nfs/dbraw/zinc/44/05/27/1069440527.db2.gz WASKBAHWSIHEKJ-AWEZNQCLSA-N 1 0 424.523 -0.086 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000674325171 1069440357 /nfs/dbraw/zinc/44/03/57/1069440357.db2.gz WASKBAHWSIHEKJ-CQSZACIVSA-N 1 0 424.523 -0.086 20 0 HBADRO COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000674329086 1069440512 /nfs/dbraw/zinc/44/05/12/1069440512.db2.gz XNLVRCPQDAJYAF-INIZCTEOSA-N 1 0 406.549 -0.115 20 0 HBADRO COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000674329092 1069440543 /nfs/dbraw/zinc/44/05/43/1069440543.db2.gz XNLVRCPQDAJYAF-MRXNPFEDSA-N 1 0 406.549 -0.115 20 0 HBADRO COC1CC[NH+](CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000674329244 1069440433 /nfs/dbraw/zinc/44/04/33/1069440433.db2.gz ZTLOJNUEDMHLKS-UHFFFAOYSA-N 1 0 419.530 -0.075 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)o1 ZINC000674359872 1069441042 /nfs/dbraw/zinc/44/10/42/1069441042.db2.gz FGLZUDRNWOAXGX-AWEZNQCLSA-N 1 0 400.501 -0.368 20 0 HBADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)o1 ZINC000674359879 1069440880 /nfs/dbraw/zinc/44/08/80/1069440880.db2.gz FGLZUDRNWOAXGX-CQSZACIVSA-N 1 0 400.501 -0.368 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000674431672 1069447464 /nfs/dbraw/zinc/44/74/64/1069447464.db2.gz BULLPKQEXFSTLF-UHFFFAOYSA-N 1 0 403.549 -0.394 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000674432113 1069447529 /nfs/dbraw/zinc/44/75/29/1069447529.db2.gz XTGPIPJWDOQUHX-KSMMKXTCSA-N 1 0 408.503 -0.407 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000674432115 1069447404 /nfs/dbraw/zinc/44/74/04/1069447404.db2.gz XTGPIPJWDOQUHX-LPMFXHHGSA-N 1 0 408.503 -0.407 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000674432117 1069447508 /nfs/dbraw/zinc/44/75/08/1069447508.db2.gz XTGPIPJWDOQUHX-NJSLBKSFSA-N 1 0 408.503 -0.407 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000674432120 1069447436 /nfs/dbraw/zinc/44/74/36/1069447436.db2.gz XTGPIPJWDOQUHX-TYILLQQXSA-N 1 0 408.503 -0.407 20 0 HBADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000674440970 1069447496 /nfs/dbraw/zinc/44/74/96/1069447496.db2.gz RNZPYGMHJVCQGN-FOIQADDNSA-N 1 0 420.514 -0.344 20 0 HBADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000674440977 1069447447 /nfs/dbraw/zinc/44/74/47/1069447447.db2.gz RNZPYGMHJVCQGN-MGPUTAFESA-N 1 0 420.514 -0.344 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000674440983 1069447600 /nfs/dbraw/zinc/44/76/00/1069447600.db2.gz RNZPYGMHJVCQGN-QRWLVFNGSA-N 1 0 420.514 -0.344 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000674440987 1069447482 /nfs/dbraw/zinc/44/74/82/1069447482.db2.gz RNZPYGMHJVCQGN-YWZLYKJASA-N 1 0 420.514 -0.344 20 0 HBADRO CCN1C(=O)[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000674470593 1069453222 /nfs/dbraw/zinc/45/32/22/1069453222.db2.gz ZSMNPSVLAVAQPL-HNNXBMFYSA-N 1 0 401.471 -0.516 20 0 HBADRO CCN1C(=O)[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000674470594 1069453180 /nfs/dbraw/zinc/45/31/80/1069453180.db2.gz ZSMNPSVLAVAQPL-OAHLLOKOSA-N 1 0 401.471 -0.516 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000674475843 1069451052 /nfs/dbraw/zinc/45/10/52/1069451052.db2.gz JCZPAFOOGPNVRJ-KURKYZTESA-N 1 0 418.494 -0.255 20 0 HBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000674475844 1069451963 /nfs/dbraw/zinc/45/19/63/1069451963.db2.gz JCZPAFOOGPNVRJ-OKZBNKHCSA-N 1 0 418.494 -0.255 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674475937 1069453172 /nfs/dbraw/zinc/45/31/72/1069453172.db2.gz LIZDCROOBHSRDA-IYBDPMFKSA-N 1 0 406.483 -0.270 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000674476040 1069451068 /nfs/dbraw/zinc/45/10/68/1069451068.db2.gz OFJPDOFUKPGMJT-CALCHBBNSA-N 1 0 406.483 -0.349 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)CC1 ZINC000674476889 1069453616 /nfs/dbraw/zinc/45/36/16/1069453616.db2.gz LYOUJUGYMAORQG-CALCHBBNSA-N 1 0 406.483 -0.795 20 0 HBADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@H](O)C3)c2)CC1 ZINC000674477633 1069454278 /nfs/dbraw/zinc/45/42/78/1069454278.db2.gz UIUOSKZOONTNLT-CALCHBBNSA-N 1 0 404.467 -0.724 20 0 HBADRO CC(CN(C)CCN1CCCS1(=O)=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495530 1069458344 /nfs/dbraw/zinc/45/83/44/1069458344.db2.gz LQZMZDLUPLTRDT-UHFFFAOYSA-N 1 0 410.606 -0.443 20 0 HBADRO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CCCS1(=O)=O ZINC000674496991 1069458416 /nfs/dbraw/zinc/45/84/16/1069458416.db2.gz VQJXLTBZTFCJEH-UHFFFAOYSA-N 1 0 404.514 -0.370 20 0 HBADRO CCN1C(=O)[C@@H]2CN(CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500562 1069457011 /nfs/dbraw/zinc/45/70/11/1069457011.db2.gz BUEHYDKEAFPEMG-HOTGVXAUSA-N 1 0 420.514 -0.297 20 0 HBADRO CCN1C(=O)[C@H]2CN(CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674500563 1069457226 /nfs/dbraw/zinc/45/72/26/1069457226.db2.gz BUEHYDKEAFPEMG-HZPDHXFCSA-N 1 0 420.514 -0.297 20 0 HBADRO CCN1C(=O)[C@H]2CN(CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500564 1069457193 /nfs/dbraw/zinc/45/71/93/1069457193.db2.gz BUEHYDKEAFPEMG-IYBDPMFKSA-N 1 0 420.514 -0.297 20 0 HBADRO CCN1C(=O)[C@@H]2C[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CCN2C1=O ZINC000674500845 1069456445 /nfs/dbraw/zinc/45/64/45/1069456445.db2.gz HKIGSMCKGDSQAP-AWEZNQCLSA-N 1 0 409.468 -0.369 20 0 HBADRO CCN1C(=O)[C@H]2C[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CCN2C1=O ZINC000674500846 1069456551 /nfs/dbraw/zinc/45/65/51/1069456551.db2.gz HKIGSMCKGDSQAP-CQSZACIVSA-N 1 0 409.468 -0.369 20 0 HBADRO CCN1C(=O)[C@H]2CN(C/C=C/C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500943 1069455974 /nfs/dbraw/zinc/45/59/74/1069455974.db2.gz DJRJBVKYDOXZCD-AXHPFZFWSA-N 1 0 418.498 -0.521 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C/C=C/C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500944 1069455984 /nfs/dbraw/zinc/45/59/84/1069455984.db2.gz DJRJBVKYDOXZCD-DKLOGILVSA-N 1 0 418.498 -0.521 20 0 HBADRO CCN1C(=O)[C@H]2CN(C/C=C\C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500945 1069455859 /nfs/dbraw/zinc/45/58/59/1069455859.db2.gz DJRJBVKYDOXZCD-HNXFAEETSA-N 1 0 418.498 -0.521 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C/C=C\C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500946 1069456483 /nfs/dbraw/zinc/45/64/83/1069456483.db2.gz DJRJBVKYDOXZCD-XFCCUVRLSA-N 1 0 418.498 -0.521 20 0 HBADRO CCN1C(=O)[C@H]2CN(CCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674501320 1069456005 /nfs/dbraw/zinc/45/60/05/1069456005.db2.gz JZHBMUPAKOEZJN-GASCZTMLSA-N 1 0 406.487 -0.687 20 0 HBADRO CCN1C(=O)[C@@H]2CN(CCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674501321 1069455822 /nfs/dbraw/zinc/45/58/22/1069455822.db2.gz JZHBMUPAKOEZJN-GJZGRUSLSA-N 1 0 406.487 -0.687 20 0 HBADRO CCN1C(=O)[C@H]2CN(CCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674501323 1069455944 /nfs/dbraw/zinc/45/59/44/1069455944.db2.gz JZHBMUPAKOEZJN-HUUCEWRRSA-N 1 0 406.487 -0.687 20 0 HBADRO CCN1C(=O)[C@@H]2CN(CC(C)C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502423 1069456950 /nfs/dbraw/zinc/45/69/50/1069456950.db2.gz VPYRUIXWYLFEFS-HOTGVXAUSA-N 1 0 420.514 -0.441 20 0 HBADRO CCN1C(=O)[C@H]2CN(CC(C)C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674502427 1069457055 /nfs/dbraw/zinc/45/70/55/1069457055.db2.gz VPYRUIXWYLFEFS-HZPDHXFCSA-N 1 0 420.514 -0.441 20 0 HBADRO CCN1C(=O)[C@H]2CN(C[C@H](C)C[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502428 1069457113 /nfs/dbraw/zinc/45/71/13/1069457113.db2.gz VPYRUIXWYLFEFS-MUJYYYPQSA-N 1 0 420.514 -0.441 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN2CCCS2(=O)=O)CC1=O ZINC000674520737 1069459663 /nfs/dbraw/zinc/45/96/63/1069459663.db2.gz LKPPBCQVRRFNPI-CVEARBPZSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCS2(=O)=O)CC1=O ZINC000674520738 1069459942 /nfs/dbraw/zinc/45/99/42/1069459942.db2.gz LKPPBCQVRRFNPI-HOTGVXAUSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN2CCCS2(=O)=O)CC1=O ZINC000674520739 1069459817 /nfs/dbraw/zinc/45/98/17/1069459817.db2.gz LKPPBCQVRRFNPI-HZPDHXFCSA-N 1 0 400.545 -0.187 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCS2(=O)=O)CC1=O ZINC000674520740 1069459630 /nfs/dbraw/zinc/45/96/30/1069459630.db2.gz LKPPBCQVRRFNPI-JKSUJKDBSA-N 1 0 400.545 -0.187 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C[C@@H]4CCC[N@@H+]4CC)C3)CCN2C1=O ZINC000674542984 1069461153 /nfs/dbraw/zinc/46/11/53/1069461153.db2.gz REZRCXIEAVQJAK-JYJNAYRXSA-N 1 0 405.499 -0.186 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)CCN2C1=O ZINC000674542986 1069461069 /nfs/dbraw/zinc/46/10/69/1069461069.db2.gz REZRCXIEAVQJAK-OAGGEKHMSA-N 1 0 405.499 -0.186 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C[C@@H]4CCC[N@@H+]4CC)C3)CCN2C1=O ZINC000674542988 1069461004 /nfs/dbraw/zinc/46/10/04/1069461004.db2.gz REZRCXIEAVQJAK-PMPSAXMXSA-N 1 0 405.499 -0.186 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)CCN2C1=O ZINC000674542990 1069461118 /nfs/dbraw/zinc/46/11/18/1069461118.db2.gz REZRCXIEAVQJAK-XHSDSOJGSA-N 1 0 405.499 -0.186 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674624540 1069464114 /nfs/dbraw/zinc/46/41/14/1069464114.db2.gz HNCJTOXXTONXJU-AUSJPIAWSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674624541 1069463959 /nfs/dbraw/zinc/46/39/59/1069463959.db2.gz HNCJTOXXTONXJU-AVYPCKFXSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674624542 1069464080 /nfs/dbraw/zinc/46/40/80/1069464080.db2.gz HNCJTOXXTONXJU-QEEYODRMSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674624543 1069464158 /nfs/dbraw/zinc/46/41/58/1069464158.db2.gz HNCJTOXXTONXJU-SIFCLUCFSA-N 1 0 422.530 -0.051 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674626399 1069464636 /nfs/dbraw/zinc/46/46/36/1069464636.db2.gz WZOJFZZNCYALFK-HNNXBMFYSA-N 1 0 403.549 -0.394 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674626400 1069464847 /nfs/dbraw/zinc/46/48/47/1069464847.db2.gz WZOJFZZNCYALFK-OAHLLOKOSA-N 1 0 403.549 -0.394 20 0 HBADRO CCn1nc2c(cc1=O)CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000674630763 1069464884 /nfs/dbraw/zinc/46/48/84/1069464884.db2.gz HRCMHONENKWIOI-KRWDZBQOSA-N 1 0 404.515 -0.263 20 0 HBADRO CCn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000674630776 1069464800 /nfs/dbraw/zinc/46/48/00/1069464800.db2.gz HRCMHONENKWIOI-QGZVFWFLSA-N 1 0 404.515 -0.263 20 0 HBADRO CN(CCN1CCCS1(=O)=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674631035 1069464775 /nfs/dbraw/zinc/46/47/75/1069464775.db2.gz KNEQMGRUSYBHAT-INIZCTEOSA-N 1 0 403.549 -0.930 20 0 HBADRO CN(CCN1CCCS1(=O)=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674631036 1069464573 /nfs/dbraw/zinc/46/45/73/1069464573.db2.gz KNEQMGRUSYBHAT-MRXNPFEDSA-N 1 0 403.549 -0.930 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639244 1069465251 /nfs/dbraw/zinc/46/52/51/1069465251.db2.gz QQTPYNLUIUSPFQ-FOIQADDNSA-N 1 0 422.530 -0.098 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639245 1069465323 /nfs/dbraw/zinc/46/53/23/1069465323.db2.gz QQTPYNLUIUSPFQ-MGPUTAFESA-N 1 0 422.530 -0.098 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674639246 1069465273 /nfs/dbraw/zinc/46/52/73/1069465273.db2.gz QQTPYNLUIUSPFQ-QRWLVFNGSA-N 1 0 422.530 -0.098 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674639247 1069465140 /nfs/dbraw/zinc/46/51/40/1069465140.db2.gz QQTPYNLUIUSPFQ-YWZLYKJASA-N 1 0 422.530 -0.098 20 0 HBADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674669618 1069467009 /nfs/dbraw/zinc/46/70/09/1069467009.db2.gz OVWSAIMLMNFOQH-HNNXBMFYSA-N 1 0 414.528 -0.025 20 0 HBADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674669619 1069467190 /nfs/dbraw/zinc/46/71/90/1069467190.db2.gz OVWSAIMLMNFOQH-OAHLLOKOSA-N 1 0 414.528 -0.025 20 0 HBADRO Cc1oc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685418 1069467213 /nfs/dbraw/zinc/46/72/13/1069467213.db2.gz VMKOVPSBCLTDSE-HNNXBMFYSA-N 1 0 414.528 -0.025 20 0 HBADRO Cc1oc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685420 1069467253 /nfs/dbraw/zinc/46/72/53/1069467253.db2.gz VMKOVPSBCLTDSE-OAHLLOKOSA-N 1 0 414.528 -0.025 20 0 HBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000674686745 1069466923 /nfs/dbraw/zinc/46/69/23/1069466923.db2.gz CNKNPDGQNFVINU-GFCCVEGCSA-N 1 0 414.484 -0.285 20 0 HBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000674686746 1069467060 /nfs/dbraw/zinc/46/70/60/1069467060.db2.gz CNKNPDGQNFVINU-LBPRGKRZSA-N 1 0 414.484 -0.285 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000674762519 1069469570 /nfs/dbraw/zinc/46/95/70/1069469570.db2.gz NPMRITSITRNURT-HNNXBMFYSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000674762520 1069470014 /nfs/dbraw/zinc/47/00/14/1069470014.db2.gz NPMRITSITRNURT-OAHLLOKOSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000674762933 1069470123 /nfs/dbraw/zinc/47/01/23/1069470123.db2.gz AAZFSBIBQPYDMI-HNNXBMFYSA-N 1 0 405.503 -0.852 20 0 HBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000674762934 1069470148 /nfs/dbraw/zinc/47/01/48/1069470148.db2.gz AAZFSBIBQPYDMI-OAHLLOKOSA-N 1 0 405.503 -0.852 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674800179 1069471859 /nfs/dbraw/zinc/47/18/59/1069471859.db2.gz XGSDMGHOCAEAHU-GDBMZVCRSA-N 1 0 412.560 -0.286 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674800180 1069471880 /nfs/dbraw/zinc/47/18/80/1069471880.db2.gz XGSDMGHOCAEAHU-GOEBONIOSA-N 1 0 412.560 -0.286 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674800181 1069471798 /nfs/dbraw/zinc/47/17/98/1069471798.db2.gz XGSDMGHOCAEAHU-HOCLYGCPSA-N 1 0 412.560 -0.286 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674800185 1069471629 /nfs/dbraw/zinc/47/16/29/1069471629.db2.gz XGSDMGHOCAEAHU-ZBFHGGJFSA-N 1 0 412.560 -0.286 20 0 HBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000674869942 1069473395 /nfs/dbraw/zinc/47/33/95/1069473395.db2.gz RQIVBDRKYOVIIB-UHFFFAOYSA-N 1 0 401.533 -0.070 20 0 HBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000674876003 1069473547 /nfs/dbraw/zinc/47/35/47/1069473547.db2.gz BIUWLPIMWDZLEO-UHFFFAOYSA-N 1 0 408.484 -0.372 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000674913324 1069474500 /nfs/dbraw/zinc/47/45/00/1069474500.db2.gz KWGUXBNJGISYGA-UHFFFAOYSA-N 1 0 417.514 -0.125 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000674991844 1069475719 /nfs/dbraw/zinc/47/57/19/1069475719.db2.gz VVOSPRKMHKFIEX-INIZCTEOSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000674991845 1069475863 /nfs/dbraw/zinc/47/58/63/1069475863.db2.gz VVOSPRKMHKFIEX-MRXNPFEDSA-N 1 0 406.487 -0.377 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000674994156 1069476406 /nfs/dbraw/zinc/47/64/06/1069476406.db2.gz OHQFUJBYFWRAIV-INIZCTEOSA-N 1 0 405.503 -0.852 20 0 HBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000674994159 1069476243 /nfs/dbraw/zinc/47/62/43/1069476243.db2.gz OHQFUJBYFWRAIV-MRXNPFEDSA-N 1 0 405.503 -0.852 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000675086117 1069478701 /nfs/dbraw/zinc/47/87/01/1069478701.db2.gz ATPLBHFERNYEBX-UHFFFAOYSA-N 1 0 411.547 -0.728 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CCN2C1=O ZINC000675097287 1069478611 /nfs/dbraw/zinc/47/86/11/1069478611.db2.gz MYTIVHCCBQITBR-CABCVRRESA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CCN2C1=O ZINC000675097288 1069479090 /nfs/dbraw/zinc/47/90/90/1069479090.db2.gz MYTIVHCCBQITBR-GJZGRUSLSA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CCN2C1=O ZINC000675097289 1069479240 /nfs/dbraw/zinc/47/92/40/1069479240.db2.gz MYTIVHCCBQITBR-HUUCEWRRSA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CCN2C1=O ZINC000675097290 1069479263 /nfs/dbraw/zinc/47/92/63/1069479263.db2.gz MYTIVHCCBQITBR-LSDHHAIUSA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CCN2C1=O ZINC000675099785 1069479135 /nfs/dbraw/zinc/47/91/35/1069479135.db2.gz HYHBBBGBMNDKEE-HNNXBMFYSA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CCN2C1=O ZINC000675099786 1069479074 /nfs/dbraw/zinc/47/90/74/1069479074.db2.gz HYHBBBGBMNDKEE-OAHLLOKOSA-N 1 0 408.503 -0.393 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC000675103511 1069480348 /nfs/dbraw/zinc/48/03/48/1069480348.db2.gz VJYUCLMVAZCFGC-CVEARBPZSA-N 1 0 408.503 -0.929 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC000675103512 1069480253 /nfs/dbraw/zinc/48/02/53/1069480253.db2.gz VJYUCLMVAZCFGC-HOTGVXAUSA-N 1 0 408.503 -0.929 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC000675103513 1069480418 /nfs/dbraw/zinc/48/04/18/1069480418.db2.gz VJYUCLMVAZCFGC-HZPDHXFCSA-N 1 0 408.503 -0.929 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC000675103514 1069480383 /nfs/dbraw/zinc/48/03/83/1069480383.db2.gz VJYUCLMVAZCFGC-JKSUJKDBSA-N 1 0 408.503 -0.929 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000675193903 1069483140 /nfs/dbraw/zinc/48/31/40/1069483140.db2.gz IDBPDMIKXWJJGB-KRWDZBQOSA-N 1 0 416.592 -0.320 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000675193904 1069483090 /nfs/dbraw/zinc/48/30/90/1069483090.db2.gz IDBPDMIKXWJJGB-QGZVFWFLSA-N 1 0 416.592 -0.320 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000675195446 1069483050 /nfs/dbraw/zinc/48/30/50/1069483050.db2.gz WJSBTCKSLDMALT-INIZCTEOSA-N 1 0 403.549 -0.235 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000675195447 1069483198 /nfs/dbraw/zinc/48/31/98/1069483198.db2.gz WJSBTCKSLDMALT-MRXNPFEDSA-N 1 0 403.549 -0.235 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1)N1CCOCC1 ZINC000675208833 1069482997 /nfs/dbraw/zinc/48/29/97/1069482997.db2.gz DOWZCHZFDINUJJ-HNNXBMFYSA-N 1 0 404.471 -0.719 20 0 HBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1)N1CCOCC1 ZINC000675208841 1069483181 /nfs/dbraw/zinc/48/31/81/1069483181.db2.gz DOWZCHZFDINUJJ-OAHLLOKOSA-N 1 0 404.471 -0.719 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675245833 1069484171 /nfs/dbraw/zinc/48/41/71/1069484171.db2.gz ZQGMKXHCVLJDOH-UHFFFAOYSA-N 1 0 411.528 -0.506 20 0 HBADRO CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675329554 1069486292 /nfs/dbraw/zinc/48/62/92/1069486292.db2.gz BLBOTRHCFQQTIS-KRWDZBQOSA-N 1 0 401.577 -0.810 20 0 HBADRO CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675329562 1069486365 /nfs/dbraw/zinc/48/63/65/1069486365.db2.gz BLBOTRHCFQQTIS-QGZVFWFLSA-N 1 0 401.577 -0.810 20 0 HBADRO Cn1c2ncn(CC(=O)N3C[C@@H](C[NH+](C)C)Oc4ccccc43)c2c(=O)n(C)c1=O ZINC000675490925 1069491616 /nfs/dbraw/zinc/49/16/16/1069491616.db2.gz DYEJCFGGOBBNHK-CYBMUJFWSA-N 1 0 412.450 -0.211 20 0 HBADRO Cn1c2ncn(CC(=O)N3C[C@H](C[NH+](C)C)Oc4ccccc43)c2c(=O)n(C)c1=O ZINC000675490926 1069491690 /nfs/dbraw/zinc/49/16/90/1069491690.db2.gz DYEJCFGGOBBNHK-ZDUSSCGKSA-N 1 0 412.450 -0.211 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](C[NH+](C)C)Oc3ccccc31)c(=O)n2C ZINC000675491756 1069491706 /nfs/dbraw/zinc/49/17/06/1069491706.db2.gz MQUZJAZSOIPCIN-CYBMUJFWSA-N 1 0 412.450 -0.211 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)N1C[C@H](C[NH+](C)C)Oc3ccccc31)c(=O)n2C ZINC000675491757 1069491632 /nfs/dbraw/zinc/49/16/32/1069491632.db2.gz MQUZJAZSOIPCIN-ZDUSSCGKSA-N 1 0 412.450 -0.211 20 0 HBADRO C[NH+](C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c2ccccc2O1 ZINC000675512363 1069492955 /nfs/dbraw/zinc/49/29/55/1069492955.db2.gz MOHYQPBCEFVYLR-GFCCVEGCSA-N 1 0 421.479 -0.252 20 0 HBADRO C[NH+](C)C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c2ccccc2O1 ZINC000675512366 1069492727 /nfs/dbraw/zinc/49/27/27/1069492727.db2.gz MOHYQPBCEFVYLR-LBPRGKRZSA-N 1 0 421.479 -0.252 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675535191 1069492905 /nfs/dbraw/zinc/49/29/05/1069492905.db2.gz ZWTCNESKYWUNJX-UHFFFAOYSA-N 1 0 405.565 -0.902 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675537387 1069492770 /nfs/dbraw/zinc/49/27/70/1069492770.db2.gz WEQHNNATKMWNCX-GOSISDBHSA-N 1 0 410.563 -0.802 20 0 HBADRO CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675537388 1069492961 /nfs/dbraw/zinc/49/29/61/1069492961.db2.gz WEQHNNATKMWNCX-SFHVURJKSA-N 1 0 410.563 -0.802 20 0 HBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000675574600 1069494850 /nfs/dbraw/zinc/49/48/50/1069494850.db2.gz WJTGVHBCPXCUFB-UHFFFAOYSA-N 1 0 410.563 -0.802 20 0 HBADRO CCN1C(=O)N=NC1C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000675583863 1069495343 /nfs/dbraw/zinc/49/53/43/1069495343.db2.gz UMXAKKDATRYXCF-UHFFFAOYSA-N 1 0 402.459 -0.370 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000675587761 1069497082 /nfs/dbraw/zinc/49/70/82/1069497082.db2.gz QIVGWGXSONEIHT-UHFFFAOYSA-N 1 0 415.454 -0.672 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1C(N)=O ZINC000675588305 1069496570 /nfs/dbraw/zinc/49/65/70/1069496570.db2.gz XVPYKRZCBZXXST-AWEZNQCLSA-N 1 0 405.455 -0.159 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1C(N)=O ZINC000675588306 1069496486 /nfs/dbraw/zinc/49/64/86/1069496486.db2.gz XVPYKRZCBZXXST-CQSZACIVSA-N 1 0 405.455 -0.159 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cn2)C[C@@H](C)O1 ZINC000675589568 1069497023 /nfs/dbraw/zinc/49/70/23/1069497023.db2.gz YGEWFVFUNPPEPY-KFWWJZLASA-N 1 0 406.487 -0.332 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cn2)C[C@H](C)O1 ZINC000675589580 1069497089 /nfs/dbraw/zinc/49/70/89/1069497089.db2.gz YGEWFVFUNPPEPY-QLFBSQMISA-N 1 0 406.487 -0.332 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cn2)C[C@@H](C)O1 ZINC000675589582 1069497004 /nfs/dbraw/zinc/49/70/04/1069497004.db2.gz YGEWFVFUNPPEPY-RBSFLKMASA-N 1 0 406.487 -0.332 20 0 HBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cn2)C[C@H](C)O1 ZINC000675589585 1069496961 /nfs/dbraw/zinc/49/69/61/1069496961.db2.gz YGEWFVFUNPPEPY-ZNMIVQPWSA-N 1 0 406.487 -0.332 20 0 HBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000675591839 1069497591 /nfs/dbraw/zinc/49/75/91/1069497591.db2.gz WVCQBRQEXVZVNZ-UHFFFAOYSA-N 1 0 408.503 -0.083 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1)N1CCOCC1 ZINC000675592924 1069497629 /nfs/dbraw/zinc/49/76/29/1069497629.db2.gz IVRRDAYZEQLHBW-HNNXBMFYSA-N 1 0 404.471 -0.719 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1)N1CCOCC1 ZINC000675592925 1069497750 /nfs/dbraw/zinc/49/77/50/1069497750.db2.gz IVRRDAYZEQLHBW-OAHLLOKOSA-N 1 0 404.471 -0.719 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675593182 1069497605 /nfs/dbraw/zinc/49/76/05/1069497605.db2.gz UKIHEHHYZDZOSW-KRWDZBQOSA-N 1 0 418.498 -0.233 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675593183 1069497694 /nfs/dbraw/zinc/49/76/94/1069497694.db2.gz UKIHEHHYZDZOSW-QGZVFWFLSA-N 1 0 418.498 -0.233 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C(N)=O ZINC000675594220 1069497664 /nfs/dbraw/zinc/49/76/64/1069497664.db2.gz RHQGZKMBKBOQDO-AWEZNQCLSA-N 1 0 404.471 -0.634 20 0 HBADRO COc1ncc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C(N)=O ZINC000675594221 1069497742 /nfs/dbraw/zinc/49/77/42/1069497742.db2.gz RHQGZKMBKBOQDO-CQSZACIVSA-N 1 0 404.471 -0.634 20 0 HBADRO COc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(OC)n1 ZINC000675604199 1069495918 /nfs/dbraw/zinc/49/59/18/1069495918.db2.gz JTHOYMLUOPHGFP-UHFFFAOYSA-N 1 0 419.442 -0.450 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)CC2 ZINC000675607807 1069496376 /nfs/dbraw/zinc/49/63/76/1069496376.db2.gz JNVJXQRSMMAADV-UHFFFAOYSA-N 1 0 420.495 -0.119 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c2ccccc2O1 ZINC000675607815 1069496581 /nfs/dbraw/zinc/49/65/81/1069496581.db2.gz JYKIEZMYADTGKF-INIZCTEOSA-N 1 0 400.439 -0.077 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c2ccccc2O1 ZINC000675607816 1069496522 /nfs/dbraw/zinc/49/65/22/1069496522.db2.gz JYKIEZMYADTGKF-MRXNPFEDSA-N 1 0 400.439 -0.077 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675621361 1069501015 /nfs/dbraw/zinc/50/10/15/1069501015.db2.gz LPSVHCIKRWDDFV-GFCCVEGCSA-N 1 0 408.484 -0.151 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675621362 1069500956 /nfs/dbraw/zinc/50/09/56/1069500956.db2.gz LPSVHCIKRWDDFV-LBPRGKRZSA-N 1 0 408.484 -0.151 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000675621929 1069501662 /nfs/dbraw/zinc/50/16/62/1069501662.db2.gz GAZPQATXYRMEME-CYBMUJFWSA-N 1 0 412.512 -0.321 20 0 HBADRO COC1CC[NH+](CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000675621930 1069501644 /nfs/dbraw/zinc/50/16/44/1069501644.db2.gz GAZPQATXYRMEME-ZDUSSCGKSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000675622404 1069501046 /nfs/dbraw/zinc/50/10/46/1069501046.db2.gz DVLITOCGLDXIKO-DZGCQCFKSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000675622405 1069501142 /nfs/dbraw/zinc/50/11/42/1069501142.db2.gz DVLITOCGLDXIKO-HIFRSBDPSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000675622406 1069501104 /nfs/dbraw/zinc/50/11/04/1069501104.db2.gz DVLITOCGLDXIKO-UKRRQHHQSA-N 1 0 412.512 -0.321 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000675622407 1069500992 /nfs/dbraw/zinc/50/09/92/1069500992.db2.gz DVLITOCGLDXIKO-ZFWWWQNUSA-N 1 0 412.512 -0.321 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675623415 1069501538 /nfs/dbraw/zinc/50/15/38/1069501538.db2.gz QDXZKNHZDRPTOI-IAOVAPTHSA-N 1 0 424.523 -0.490 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000675623416 1069501599 /nfs/dbraw/zinc/50/15/99/1069501599.db2.gz QDXZKNHZDRPTOI-JQFCIGGWSA-N 1 0 424.523 -0.490 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675623474 1069501680 /nfs/dbraw/zinc/50/16/80/1069501680.db2.gz QDXZKNHZDRPTOI-RRQGHBQHSA-N 1 0 424.523 -0.490 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000675623475 1069501576 /nfs/dbraw/zinc/50/15/76/1069501576.db2.gz QDXZKNHZDRPTOI-XKQJLSEDSA-N 1 0 424.523 -0.490 20 0 HBADRO COC1CC[NH+](CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000675631138 1069501480 /nfs/dbraw/zinc/50/14/80/1069501480.db2.gz AMUANNUUETVCLX-UHFFFAOYSA-N 1 0 405.542 -0.005 20 0 HBADRO O=C(CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000675786190 1069503365 /nfs/dbraw/zinc/50/33/65/1069503365.db2.gz NIKYJMLUPOTUTG-MSOLQXFVSA-N 1 0 416.526 -0.037 20 0 HBADRO O=C(CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000675786194 1069503495 /nfs/dbraw/zinc/50/34/95/1069503495.db2.gz NIKYJMLUPOTUTG-QZTJIDSGSA-N 1 0 416.526 -0.037 20 0 HBADRO O=C(CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000675786195 1069503253 /nfs/dbraw/zinc/50/32/53/1069503253.db2.gz NIKYJMLUPOTUTG-ROUUACIJSA-N 1 0 416.526 -0.037 20 0 HBADRO O=C(CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000675786196 1069503187 /nfs/dbraw/zinc/50/31/87/1069503187.db2.gz NIKYJMLUPOTUTG-ZWKOTPCHSA-N 1 0 416.526 -0.037 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675819902 1069504013 /nfs/dbraw/zinc/50/40/13/1069504013.db2.gz USVWYNZOSXFEFV-AWEZNQCLSA-N 1 0 404.558 -0.178 20 0 HBADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675819906 1069503920 /nfs/dbraw/zinc/50/39/20/1069503920.db2.gz USVWYNZOSXFEFV-CQSZACIVSA-N 1 0 404.558 -0.178 20 0 HBADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000675820254 1069503977 /nfs/dbraw/zinc/50/39/77/1069503977.db2.gz YPYLQZYQVGDWIB-AWEZNQCLSA-N 1 0 404.558 -0.178 20 0 HBADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000675820255 1069503887 /nfs/dbraw/zinc/50/38/87/1069503887.db2.gz YPYLQZYQVGDWIB-CQSZACIVSA-N 1 0 404.558 -0.178 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000675937025 1069506361 /nfs/dbraw/zinc/50/63/61/1069506361.db2.gz BHDLMJLNLNLEIE-KRWDZBQOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000675937026 1069506168 /nfs/dbraw/zinc/50/61/68/1069506168.db2.gz BHDLMJLNLNLEIE-QGZVFWFLSA-N 1 0 411.466 -0.029 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(OC)n1 ZINC000675937323 1069506004 /nfs/dbraw/zinc/50/60/04/1069506004.db2.gz KYGZWVKIXCUQOZ-AWEZNQCLSA-N 1 0 405.455 -0.198 20 0 HBADRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(OC)n1 ZINC000675937327 1069506021 /nfs/dbraw/zinc/50/60/21/1069506021.db2.gz KYGZWVKIXCUQOZ-CQSZACIVSA-N 1 0 405.455 -0.198 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000675937413 1069506090 /nfs/dbraw/zinc/50/60/90/1069506090.db2.gz RFRDPIFHVWOGJG-HNNXBMFYSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000675937417 1069505988 /nfs/dbraw/zinc/50/59/88/1069505988.db2.gz RFRDPIFHVWOGJG-OAHLLOKOSA-N 1 0 405.430 -0.372 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000675937456 1069506038 /nfs/dbraw/zinc/50/60/38/1069506038.db2.gz UZVGCKZXSBGSKF-KRWDZBQOSA-N 1 0 413.478 -0.324 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000675937461 1069506202 /nfs/dbraw/zinc/50/62/02/1069506202.db2.gz UZVGCKZXSBGSKF-QGZVFWFLSA-N 1 0 413.478 -0.324 20 0 HBADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc12 ZINC000675937471 1069506311 /nfs/dbraw/zinc/50/63/11/1069506311.db2.gz VHIGBYDHSYSOIN-INIZCTEOSA-N 1 0 413.482 -0.020 20 0 HBADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc12 ZINC000675937484 1069505964 /nfs/dbraw/zinc/50/59/64/1069505964.db2.gz VHIGBYDHSYSOIN-MRXNPFEDSA-N 1 0 413.482 -0.020 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000675937486 1069506337 /nfs/dbraw/zinc/50/63/37/1069506337.db2.gz VMUQYGBZXDELAQ-HNNXBMFYSA-N 1 0 415.450 -0.279 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000675937491 1069506145 /nfs/dbraw/zinc/50/61/45/1069506145.db2.gz VMUQYGBZXDELAQ-OAHLLOKOSA-N 1 0 415.450 -0.279 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675937672 1069505538 /nfs/dbraw/zinc/50/55/38/1069505538.db2.gz XQZZTBBFVLMNLK-DLBZAZTESA-N 1 0 418.498 -0.234 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675937673 1069505368 /nfs/dbraw/zinc/50/53/68/1069505368.db2.gz XQZZTBBFVLMNLK-IAGOWNOFSA-N 1 0 418.498 -0.234 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675937674 1069505313 /nfs/dbraw/zinc/50/53/13/1069505313.db2.gz XQZZTBBFVLMNLK-IRXDYDNUSA-N 1 0 418.498 -0.234 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675937675 1069506280 /nfs/dbraw/zinc/50/62/80/1069506280.db2.gz XQZZTBBFVLMNLK-SJORKVTESA-N 1 0 418.498 -0.234 20 0 HBADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000675937684 1069506113 /nfs/dbraw/zinc/50/61/13/1069506113.db2.gz YTUFBTLEEDCBBU-KRWDZBQOSA-N 1 0 415.494 -0.321 20 0 HBADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000675937685 1069506247 /nfs/dbraw/zinc/50/62/47/1069506247.db2.gz YTUFBTLEEDCBBU-QGZVFWFLSA-N 1 0 415.494 -0.321 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000675976213 1069506694 /nfs/dbraw/zinc/50/66/94/1069506694.db2.gz GQLGYEOKSKAKGK-HNNXBMFYSA-N 1 0 401.533 -0.640 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000675976215 1069506871 /nfs/dbraw/zinc/50/68/71/1069506871.db2.gz GQLGYEOKSKAKGK-OAHLLOKOSA-N 1 0 401.533 -0.640 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000675998639 1069506945 /nfs/dbraw/zinc/50/69/45/1069506945.db2.gz VWPDUBVJEBJTSI-DJIMGWMZSA-N 1 0 417.514 -0.138 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000675998911 1069506801 /nfs/dbraw/zinc/50/68/01/1069506801.db2.gz VWPDUBVJEBJTSI-HYVNUMGLSA-N 1 0 417.514 -0.138 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000675998912 1069506755 /nfs/dbraw/zinc/50/67/55/1069506755.db2.gz VWPDUBVJEBJTSI-OIISXLGYSA-N 1 0 417.514 -0.138 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000675998913 1069506891 /nfs/dbraw/zinc/50/68/91/1069506891.db2.gz VWPDUBVJEBJTSI-PVAVHDDUSA-N 1 0 417.514 -0.138 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000675999334 1069506638 /nfs/dbraw/zinc/50/66/38/1069506638.db2.gz RRQXCSVKBXDWAQ-AVYPCKFXSA-N 1 0 420.514 -0.345 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000675999335 1069507472 /nfs/dbraw/zinc/50/74/72/1069507472.db2.gz RRQXCSVKBXDWAQ-MDOVXXIYSA-N 1 0 420.514 -0.345 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000675999336 1069507343 /nfs/dbraw/zinc/50/73/43/1069507343.db2.gz RRQXCSVKBXDWAQ-SIFCLUCFSA-N 1 0 420.514 -0.345 20 0 HBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000675999337 1069507559 /nfs/dbraw/zinc/50/75/59/1069507559.db2.gz RRQXCSVKBXDWAQ-SXGZJXTBSA-N 1 0 420.514 -0.345 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000676048307 1069507959 /nfs/dbraw/zinc/50/79/59/1069507959.db2.gz XJEYAPBRXXTLNR-DLBZAZTESA-N 1 0 417.576 -0.759 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000676048308 1069508111 /nfs/dbraw/zinc/50/81/11/1069508111.db2.gz XJEYAPBRXXTLNR-IAGOWNOFSA-N 1 0 417.576 -0.759 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676048309 1069507974 /nfs/dbraw/zinc/50/79/74/1069507974.db2.gz XJEYAPBRXXTLNR-IRXDYDNUSA-N 1 0 417.576 -0.759 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676048310 1069507986 /nfs/dbraw/zinc/50/79/86/1069507986.db2.gz XJEYAPBRXXTLNR-SJORKVTESA-N 1 0 417.576 -0.759 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676055295 1069507655 /nfs/dbraw/zinc/50/76/55/1069507655.db2.gz MBTCUHCBFHCQGG-INIZCTEOSA-N 1 0 410.496 -0.522 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676055296 1069507580 /nfs/dbraw/zinc/50/75/80/1069507580.db2.gz MBTCUHCBFHCQGG-MRXNPFEDSA-N 1 0 410.496 -0.522 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000676088487 1069511099 /nfs/dbraw/zinc/51/10/99/1069511099.db2.gz ADJWNKCSANMSOW-UHFFFAOYSA-N 1 0 419.486 -0.246 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cn1 ZINC000676088505 1069511158 /nfs/dbraw/zinc/51/11/58/1069511158.db2.gz ASSVCQBAFPREMF-UHFFFAOYSA-N 1 0 422.511 -0.381 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676089053 1069511077 /nfs/dbraw/zinc/51/10/77/1069511077.db2.gz BZMMNPZRFRAYLB-UHFFFAOYSA-N 1 0 422.511 -0.214 20 0 HBADRO COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676089676 1069511177 /nfs/dbraw/zinc/51/11/77/1069511177.db2.gz ITFOEVIGUPTKLS-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cn1 ZINC000676089799 1069511067 /nfs/dbraw/zinc/51/10/67/1069511067.db2.gz JLGHKIQGNHSIFM-UHFFFAOYSA-N 1 0 408.484 -0.522 20 0 HBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000676090167 1069511703 /nfs/dbraw/zinc/51/17/03/1069511703.db2.gz SLGPZSZBAJVZDT-UHFFFAOYSA-N 1 0 411.422 -0.845 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676090304 1069511050 /nfs/dbraw/zinc/51/10/50/1069511050.db2.gz XDZOVLNRJGZLMD-UHFFFAOYSA-N 1 0 422.511 -0.050 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090571 1069511144 /nfs/dbraw/zinc/51/11/44/1069511144.db2.gz SYKJXIZTJYVZSU-UHFFFAOYSA-N 1 0 422.511 -0.050 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000676090968 1069511271 /nfs/dbraw/zinc/51/12/71/1069511271.db2.gz QOJHEUOBFLLQQX-UHFFFAOYSA-N 1 0 405.503 -0.850 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)N1CCCC1 ZINC000676091036 1069511678 /nfs/dbraw/zinc/51/16/78/1069511678.db2.gz WCPUTWWZAVMSJX-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676091137 1069511599 /nfs/dbraw/zinc/51/15/99/1069511599.db2.gz AZWAWHNZRGEZQY-UHFFFAOYSA-N 1 0 402.455 -0.062 20 0 HBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676091241 1069511732 /nfs/dbraw/zinc/51/17/32/1069511732.db2.gz FYEPJDUKAKHCIT-CYBMUJFWSA-N 1 0 406.468 -0.006 20 0 HBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676091242 1069511648 /nfs/dbraw/zinc/51/16/48/1069511648.db2.gz FYEPJDUKAKHCIT-ZDUSSCGKSA-N 1 0 406.468 -0.006 20 0 HBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091629 1069511716 /nfs/dbraw/zinc/51/17/16/1069511716.db2.gz QVQWNSFSGYNNTR-UHFFFAOYSA-N 1 0 414.532 -0.296 20 0 HBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676091731 1069511605 /nfs/dbraw/zinc/51/16/05/1069511605.db2.gz JCYZTQFETJDCCA-UHFFFAOYSA-N 1 0 413.438 -0.599 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1)NC1CC1 ZINC000676091733 1069511749 /nfs/dbraw/zinc/51/17/49/1069511749.db2.gz JFCXEQCJESQLEI-KRWDZBQOSA-N 1 0 418.498 -0.187 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1)NC1CC1 ZINC000676091734 1069511770 /nfs/dbraw/zinc/51/17/70/1069511770.db2.gz JFCXEQCJESQLEI-QGZVFWFLSA-N 1 0 418.498 -0.187 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cn1 ZINC000676091787 1069511618 /nfs/dbraw/zinc/51/16/18/1069511618.db2.gz VKCHIOVIBLVXCO-UHFFFAOYSA-N 1 0 404.475 -0.716 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cn1 ZINC000676091815 1069511614 /nfs/dbraw/zinc/51/16/14/1069511614.db2.gz WNQPSQATQAFWRC-UHFFFAOYSA-N 1 0 414.470 -0.774 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000676091859 1069511634 /nfs/dbraw/zinc/51/16/34/1069511634.db2.gz LHUPYOLBOMSDDI-UHFFFAOYSA-N 1 0 419.530 -0.460 20 0 HBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091876 1069511588 /nfs/dbraw/zinc/51/15/88/1069511588.db2.gz LTXJLGZOTCSCAP-UHFFFAOYSA-N 1 0 421.546 -0.214 20 0 HBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676092105 1069509029 /nfs/dbraw/zinc/50/90/29/1069509029.db2.gz XIQCPOZOKHMOBP-HNNXBMFYSA-N 1 0 407.519 -0.558 20 0 HBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676092106 1069509688 /nfs/dbraw/zinc/50/96/88/1069509688.db2.gz XIQCPOZOKHMOBP-OAHLLOKOSA-N 1 0 407.519 -0.558 20 0 HBADRO Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676092144 1069509629 /nfs/dbraw/zinc/50/96/29/1069509629.db2.gz YUYXJUYMYTUBGX-UHFFFAOYSA-N 1 0 401.471 -0.294 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cn1 ZINC000676092163 1069509453 /nfs/dbraw/zinc/50/94/53/1069509453.db2.gz ZOWMQMFVEKATJF-UHFFFAOYSA-N 1 0 419.530 -0.460 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676092164 1069509481 /nfs/dbraw/zinc/50/94/81/1069509481.db2.gz ZRUMGLNQTIYMBF-UHFFFAOYSA-N 1 0 407.456 -0.844 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 ZINC000676092907 1069511661 /nfs/dbraw/zinc/51/16/61/1069511661.db2.gz LWELIXXPIMWROC-GOSISDBHSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 ZINC000676092908 1069511630 /nfs/dbraw/zinc/51/16/30/1069511630.db2.gz LWELIXXPIMWROC-SFHVURJKSA-N 1 0 410.544 -0.293 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)cn1 ZINC000676093040 1069509697 /nfs/dbraw/zinc/50/96/97/1069509697.db2.gz CUFNLMWKBPRJRJ-UHFFFAOYSA-N 1 0 404.446 -0.003 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cn1 ZINC000676093152 1069509514 /nfs/dbraw/zinc/50/95/14/1069509514.db2.gz SYKPNMLHKDECJP-AWEZNQCLSA-N 1 0 419.438 -0.332 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cn1 ZINC000676093198 1069509659 /nfs/dbraw/zinc/50/96/59/1069509659.db2.gz SYKPNMLHKDECJP-CQSZACIVSA-N 1 0 419.438 -0.332 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOc3ccccc3C2)cn1 ZINC000676093269 1069509521 /nfs/dbraw/zinc/50/95/21/1069509521.db2.gz PUPLUXNDPIDNEZ-UHFFFAOYSA-N 1 0 414.466 -0.079 20 0 HBADRO COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676093595 1069509531 /nfs/dbraw/zinc/50/95/31/1069509531.db2.gz XCQQKLMWHIDFGW-UHFFFAOYSA-N 1 0 402.455 -0.176 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000676094813 1069509491 /nfs/dbraw/zinc/50/94/91/1069509491.db2.gz SBCDAGMFNKXNRC-UHFFFAOYSA-N 1 0 423.495 -0.018 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094895 1069509668 /nfs/dbraw/zinc/50/96/68/1069509668.db2.gz WPDXOZNBHRCULU-UHFFFAOYSA-N 1 0 424.508 -0.299 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cn1 ZINC000676095117 1069510064 /nfs/dbraw/zinc/51/00/64/1069510064.db2.gz GTJAKOXCNIJHBP-AWEZNQCLSA-N 1 0 413.482 -0.123 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cn1 ZINC000676095118 1069510254 /nfs/dbraw/zinc/51/02/54/1069510254.db2.gz GTJAKOXCNIJHBP-CQSZACIVSA-N 1 0 413.482 -0.123 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000676095230 1069510263 /nfs/dbraw/zinc/51/02/63/1069510263.db2.gz CVVCUBYYYNIVTQ-AWEZNQCLSA-N 1 0 404.446 -0.017 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000676095231 1069510100 /nfs/dbraw/zinc/51/01/00/1069510100.db2.gz CVVCUBYYYNIVTQ-CQSZACIVSA-N 1 0 404.446 -0.017 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)cn1 ZINC000676095368 1069510133 /nfs/dbraw/zinc/51/01/33/1069510133.db2.gz NKKVVWLXLPSDAV-UHFFFAOYSA-N 1 0 400.505 -0.781 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1 ZINC000676095481 1069510073 /nfs/dbraw/zinc/51/00/73/1069510073.db2.gz JCLBVADMEOHOCS-GFCCVEGCSA-N 1 0 420.392 -0.711 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)cn1 ZINC000676095483 1069510242 /nfs/dbraw/zinc/51/02/42/1069510242.db2.gz JCLBVADMEOHOCS-LBPRGKRZSA-N 1 0 420.392 -0.711 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@H]2c2ccco2)cn1 ZINC000676095792 1069510127 /nfs/dbraw/zinc/51/01/27/1069510127.db2.gz AMIPZLUCBWNPFM-HNNXBMFYSA-N 1 0 418.454 -0.308 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)cn1 ZINC000676095793 1069510199 /nfs/dbraw/zinc/51/01/99/1069510199.db2.gz AMIPZLUCBWNPFM-OAHLLOKOSA-N 1 0 418.454 -0.308 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cn1 ZINC000676095874 1069509621 /nfs/dbraw/zinc/50/96/21/1069509621.db2.gz DVWRGTPKOHJKSZ-UHFFFAOYSA-N 1 0 413.482 -0.169 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)C1 ZINC000676097143 1069510271 /nfs/dbraw/zinc/51/02/71/1069510271.db2.gz XGUJUQOLYNYXKX-KRWDZBQOSA-N 1 0 417.514 -0.661 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)C1 ZINC000676097144 1069510213 /nfs/dbraw/zinc/51/02/13/1069510213.db2.gz XGUJUQOLYNYXKX-QGZVFWFLSA-N 1 0 417.514 -0.661 20 0 HBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2=O)n1 ZINC000676097383 1069510111 /nfs/dbraw/zinc/51/01/11/1069510111.db2.gz PSUITNNRZWCEAL-AWEZNQCLSA-N 1 0 402.459 -0.572 20 0 HBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2=O)n1 ZINC000676097384 1069510121 /nfs/dbraw/zinc/51/01/21/1069510121.db2.gz PSUITNNRZWCEAL-CQSZACIVSA-N 1 0 402.459 -0.572 20 0 HBADRO Cn1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1=O ZINC000676098111 1069510085 /nfs/dbraw/zinc/51/00/85/1069510085.db2.gz ZHZAHSBYSWITQZ-UHFFFAOYSA-N 1 0 408.422 -0.352 20 0 HBADRO COc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)n1 ZINC000676098138 1069510186 /nfs/dbraw/zinc/51/01/86/1069510186.db2.gz AVHFWZKDCOKSDP-UHFFFAOYSA-N 1 0 402.459 -0.469 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000676098157 1069510544 /nfs/dbraw/zinc/51/05/44/1069510544.db2.gz BWLMMGGUXVCHES-AWEZNQCLSA-N 1 0 416.486 -0.371 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000676098158 1069510689 /nfs/dbraw/zinc/51/06/89/1069510689.db2.gz BWLMMGGUXVCHES-CQSZACIVSA-N 1 0 416.486 -0.371 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000676098423 1069510670 /nfs/dbraw/zinc/51/06/70/1069510670.db2.gz MCMJGDJURXFOAB-HNNXBMFYSA-N 1 0 406.487 -0.519 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000676098424 1069510604 /nfs/dbraw/zinc/51/06/04/1069510604.db2.gz MCMJGDJURXFOAB-OAHLLOKOSA-N 1 0 406.487 -0.519 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676098475 1069510628 /nfs/dbraw/zinc/51/06/28/1069510628.db2.gz MYEFZMTVLSRNDK-UHFFFAOYSA-N 1 0 415.454 -0.887 20 0 HBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098611 1069510678 /nfs/dbraw/zinc/51/06/78/1069510678.db2.gz SGNPJMUPNNTNGK-AWEZNQCLSA-N 1 0 405.503 -0.806 20 0 HBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098612 1069510612 /nfs/dbraw/zinc/51/06/12/1069510612.db2.gz SGNPJMUPNNTNGK-CQSZACIVSA-N 1 0 405.503 -0.806 20 0 HBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098684 1069510549 /nfs/dbraw/zinc/51/05/49/1069510549.db2.gz UYXBTHOJNRMCRJ-UHFFFAOYSA-N 1 0 407.519 -0.604 20 0 HBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098939 1069510556 /nfs/dbraw/zinc/51/05/56/1069510556.db2.gz INJJEAHIOMNSFI-INIZCTEOSA-N 1 0 419.530 -0.462 20 0 HBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098940 1069510541 /nfs/dbraw/zinc/51/05/41/1069510541.db2.gz INJJEAHIOMNSFI-MRXNPFEDSA-N 1 0 419.530 -0.462 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(CO)CCCCC2)cn1 ZINC000676099563 1069510559 /nfs/dbraw/zinc/51/05/59/1069510559.db2.gz SBNNFPUUDHXQGV-UHFFFAOYSA-N 1 0 408.503 -0.442 20 0 HBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676099925 1069510593 /nfs/dbraw/zinc/51/05/93/1069510593.db2.gz KUKRDBNJYGZBCF-UHFFFAOYSA-N 1 0 422.511 -0.002 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1 ZINC000676100052 1069511073 /nfs/dbraw/zinc/51/10/73/1069511073.db2.gz PICUSXWFTZPATI-GXTWGEPZSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000676100053 1069511153 /nfs/dbraw/zinc/51/11/53/1069511153.db2.gz PICUSXWFTZPATI-JSGCOSHPSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000676100054 1069511203 /nfs/dbraw/zinc/51/12/03/1069511203.db2.gz PICUSXWFTZPATI-OCCSQVGLSA-N 1 0 400.505 -0.783 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1 ZINC000676100055 1069511060 /nfs/dbraw/zinc/51/10/60/1069511060.db2.gz PICUSXWFTZPATI-TZMCWYRMSA-N 1 0 400.505 -0.783 20 0 HBADRO C[C@]1(c2cccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000676151526 1069512657 /nfs/dbraw/zinc/51/26/57/1069512657.db2.gz MVYVSVZILLLLPV-DYESRHJHSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@]1(c2cccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000676151527 1069513250 /nfs/dbraw/zinc/51/32/50/1069513250.db2.gz MVYVSVZILLLLPV-LAUBAEHRSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@@]1(c2cccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000676151528 1069513146 /nfs/dbraw/zinc/51/31/46/1069513146.db2.gz MVYVSVZILLLLPV-UTKZUKDTSA-N 1 0 415.494 -0.123 20 0 HBADRO C[C@@]1(c2cccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c2)NC(=O)NC1=O ZINC000676151529 1069513218 /nfs/dbraw/zinc/51/32/18/1069513218.db2.gz MVYVSVZILLLLPV-UWJYYQICSA-N 1 0 415.494 -0.123 20 0 HBADRO Nc1nsc(N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000676155436 1069513163 /nfs/dbraw/zinc/51/31/63/1069513163.db2.gz NIVQAXYCGCOZFL-AWEZNQCLSA-N 1 0 410.548 -0.642 20 0 HBADRO Nc1nsc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000676155437 1069513268 /nfs/dbraw/zinc/51/32/68/1069513268.db2.gz NIVQAXYCGCOZFL-CQSZACIVSA-N 1 0 410.548 -0.642 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676166926 1069513626 /nfs/dbraw/zinc/51/36/26/1069513626.db2.gz GSORSVDVNCSUPZ-DLBZAZTESA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676166927 1069513730 /nfs/dbraw/zinc/51/37/30/1069513730.db2.gz GSORSVDVNCSUPZ-IAGOWNOFSA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676166928 1069513702 /nfs/dbraw/zinc/51/37/02/1069513702.db2.gz GSORSVDVNCSUPZ-IRXDYDNUSA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676166929 1069513739 /nfs/dbraw/zinc/51/37/39/1069513739.db2.gz GSORSVDVNCSUPZ-SJORKVTESA-N 1 0 417.576 -0.112 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676169653 1069513264 /nfs/dbraw/zinc/51/32/64/1069513264.db2.gz YRABTVORRITJBS-CVEARBPZSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676169658 1069513190 /nfs/dbraw/zinc/51/31/90/1069513190.db2.gz YRABTVORRITJBS-HOTGVXAUSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000676169660 1069513181 /nfs/dbraw/zinc/51/31/81/1069513181.db2.gz YRABTVORRITJBS-HZPDHXFCSA-N 1 0 403.549 -0.502 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000676169662 1069513234 /nfs/dbraw/zinc/51/32/34/1069513234.db2.gz YRABTVORRITJBS-JKSUJKDBSA-N 1 0 403.549 -0.502 20 0 HBADRO CCN1C(=O)[C@H]2CN([C@@H](C)CC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251248 1069517540 /nfs/dbraw/zinc/51/75/40/1069517540.db2.gz NGRAXFRWNRJZTP-HRCADAONSA-N 1 0 420.514 -0.298 20 0 HBADRO CCN1C(=O)[C@@H]2CN([C@@H](C)CC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251349 1069517710 /nfs/dbraw/zinc/51/77/10/1069517710.db2.gz NGRAXFRWNRJZTP-JYJNAYRXSA-N 1 0 420.514 -0.298 20 0 HBADRO CCN1C(=O)[C@H]2CN([C@H](C)CC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251350 1069517683 /nfs/dbraw/zinc/51/76/83/1069517683.db2.gz NGRAXFRWNRJZTP-OWCLPIDISA-N 1 0 420.514 -0.298 20 0 HBADRO CCN1C(=O)[C@@H]2CN([C@H](C)CC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251351 1069517421 /nfs/dbraw/zinc/51/74/21/1069517421.db2.gz NGRAXFRWNRJZTP-PMPSAXMXSA-N 1 0 420.514 -0.298 20 0 HBADRO C[C@@H](CCN(C)CCN1CCCS1(=O)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000676251655 1069517668 /nfs/dbraw/zinc/51/76/68/1069517668.db2.gz AGGZBJMZDQRXMA-INIZCTEOSA-N 1 0 410.606 -0.300 20 0 HBADRO C[C@H](CCN(C)CCN1CCCS1(=O)=O)[N@H+](C)CCN1CCCS1(=O)=O ZINC000676251656 1069517618 /nfs/dbraw/zinc/51/76/18/1069517618.db2.gz AGGZBJMZDQRXMA-MRXNPFEDSA-N 1 0 410.606 -0.300 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1CN(C)CCO1 ZINC000676278031 1069517341 /nfs/dbraw/zinc/51/73/41/1069517341.db2.gz DTEXPMYJCQMSIE-CXAGYDPISA-N 1 0 419.482 -0.070 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CN(C)CCO1 ZINC000676278032 1069517567 /nfs/dbraw/zinc/51/75/67/1069517567.db2.gz DTEXPMYJCQMSIE-DYVFJYSZSA-N 1 0 419.482 -0.070 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1CN(C)CCO1 ZINC000676278033 1069517646 /nfs/dbraw/zinc/51/76/46/1069517646.db2.gz DTEXPMYJCQMSIE-GUYCJALGSA-N 1 0 419.482 -0.070 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1CN(C)CCO1 ZINC000676278034 1069517701 /nfs/dbraw/zinc/51/77/01/1069517701.db2.gz DTEXPMYJCQMSIE-SUMWQHHRSA-N 1 0 419.482 -0.070 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000676287547 1069520038 /nfs/dbraw/zinc/52/00/38/1069520038.db2.gz GQCNYEXFUCZCHJ-UHFFFAOYSA-N 1 0 403.531 -0.251 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000676288432 1069517653 /nfs/dbraw/zinc/51/76/53/1069517653.db2.gz CQSZNRJUTHDGAA-UHFFFAOYSA-N 1 0 403.531 -0.251 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000676288552 1069517584 /nfs/dbraw/zinc/51/75/84/1069517584.db2.gz QEMFFSHOOWGYRD-UHFFFAOYSA-N 1 0 419.592 -0.294 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000676293490 1069520752 /nfs/dbraw/zinc/52/07/52/1069520752.db2.gz NSMNSWQTJMZVOR-UHFFFAOYSA-N 1 0 403.531 -0.251 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000676293961 1069520828 /nfs/dbraw/zinc/52/08/28/1069520828.db2.gz PLYAJZPIMRXIQR-UHFFFAOYSA-N 1 0 418.542 -0.107 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000676296076 1069521274 /nfs/dbraw/zinc/52/12/74/1069521274.db2.gz WBXSVIGUEPDJLU-UHFFFAOYSA-N 1 0 419.592 -0.293 20 0 HBADRO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676341534 1069522032 /nfs/dbraw/zinc/52/20/32/1069522032.db2.gz CMUHYXMDRCCXJB-UHFFFAOYSA-N 1 0 407.519 -0.585 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343523 1069522563 /nfs/dbraw/zinc/52/25/63/1069522563.db2.gz SKNZJRACGBQPIV-BBRMVZONSA-N 1 0 424.523 -0.178 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343524 1069522522 /nfs/dbraw/zinc/52/25/22/1069522522.db2.gz SKNZJRACGBQPIV-CJNGLKHVSA-N 1 0 424.523 -0.178 20 0 HBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343525 1069522673 /nfs/dbraw/zinc/52/26/73/1069522673.db2.gz SKNZJRACGBQPIV-CZUORRHYSA-N 1 0 424.523 -0.178 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343526 1069522734 /nfs/dbraw/zinc/52/27/34/1069522734.db2.gz SKNZJRACGBQPIV-XJKSGUPXSA-N 1 0 424.523 -0.178 20 0 HBADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000676343701 1069521802 /nfs/dbraw/zinc/52/18/02/1069521802.db2.gz VPXHOGHESIRXQQ-AWEZNQCLSA-N 1 0 401.467 -0.076 20 0 HBADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000676343702 1069522581 /nfs/dbraw/zinc/52/25/81/1069522581.db2.gz VPXHOGHESIRXQQ-CQSZACIVSA-N 1 0 401.467 -0.076 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000676343863 1069521962 /nfs/dbraw/zinc/52/19/62/1069521962.db2.gz CULNXFONJFMMBA-AWEZNQCLSA-N 1 0 400.501 -0.078 20 0 HBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676343864 1069522021 /nfs/dbraw/zinc/52/20/21/1069522021.db2.gz CULNXFONJFMMBA-CQSZACIVSA-N 1 0 400.501 -0.078 20 0 HBADRO CNC(=O)COc1cccc(CC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000676426286 1069525395 /nfs/dbraw/zinc/52/53/95/1069525395.db2.gz JNADILJLHZXFOV-GOSISDBHSA-N 1 0 404.511 -0.123 20 0 HBADRO CNC(=O)COc1cccc(CC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000676426287 1069525309 /nfs/dbraw/zinc/52/53/09/1069525309.db2.gz JNADILJLHZXFOV-SFHVURJKSA-N 1 0 404.511 -0.123 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N1CCCS1(=O)=O ZINC000676471368 1069527300 /nfs/dbraw/zinc/52/73/00/1069527300.db2.gz HKGURMRNBNQRDF-CVEARBPZSA-N 1 0 400.545 -0.013 20 0 HBADRO CC(C)[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N1CCCS1(=O)=O ZINC000676471369 1069527446 /nfs/dbraw/zinc/52/74/46/1069527446.db2.gz HKGURMRNBNQRDF-HOTGVXAUSA-N 1 0 400.545 -0.013 20 0 HBADRO CC(C)[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N1CCCS1(=O)=O ZINC000676471370 1069527488 /nfs/dbraw/zinc/52/74/88/1069527488.db2.gz HKGURMRNBNQRDF-HZPDHXFCSA-N 1 0 400.545 -0.013 20 0 HBADRO CC(C)[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N1CCCS1(=O)=O ZINC000676471371 1069527257 /nfs/dbraw/zinc/52/72/57/1069527257.db2.gz HKGURMRNBNQRDF-JKSUJKDBSA-N 1 0 400.545 -0.013 20 0 HBADRO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCS1(=O)=O ZINC000676473793 1069527199 /nfs/dbraw/zinc/52/71/99/1069527199.db2.gz NBKPXPMLOFNHBO-DLBZAZTESA-N 1 0 402.561 -0.431 20 0 HBADRO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCS1(=O)=O ZINC000676473795 1069527408 /nfs/dbraw/zinc/52/74/08/1069527408.db2.gz NBKPXPMLOFNHBO-IAGOWNOFSA-N 1 0 402.561 -0.431 20 0 HBADRO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCS1(=O)=O ZINC000676473796 1069527519 /nfs/dbraw/zinc/52/75/19/1069527519.db2.gz NBKPXPMLOFNHBO-IRXDYDNUSA-N 1 0 402.561 -0.431 20 0 HBADRO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCS1(=O)=O ZINC000676473798 1069527375 /nfs/dbraw/zinc/52/73/75/1069527375.db2.gz NBKPXPMLOFNHBO-SJORKVTESA-N 1 0 402.561 -0.431 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501287 1069527942 /nfs/dbraw/zinc/52/79/42/1069527942.db2.gz QYSOQGIVKHGZOP-HNNXBMFYSA-N 1 0 410.544 -0.172 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501288 1069527984 /nfs/dbraw/zinc/52/79/84/1069527984.db2.gz QYSOQGIVKHGZOP-OAHLLOKOSA-N 1 0 410.544 -0.172 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)C1 ZINC000676542391 1069528305 /nfs/dbraw/zinc/52/83/05/1069528305.db2.gz MIUPEYVCUUEJSW-INIZCTEOSA-N 1 0 410.544 -0.219 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)C1 ZINC000676542395 1069528455 /nfs/dbraw/zinc/52/84/55/1069528455.db2.gz MIUPEYVCUUEJSW-MRXNPFEDSA-N 1 0 410.544 -0.219 20 0 HBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676546136 1069529863 /nfs/dbraw/zinc/52/98/63/1069529863.db2.gz OUTADUWHZCIXON-UHFFFAOYSA-N 1 0 413.482 -0.102 20 0 HBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676546146 1069529901 /nfs/dbraw/zinc/52/99/01/1069529901.db2.gz QDEOFPKBBHWLLA-UHFFFAOYSA-N 1 0 413.482 -0.102 20 0 HBADRO Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000676546213 1069529974 /nfs/dbraw/zinc/52/99/74/1069529974.db2.gz VGAHNOIIDXONMC-UHFFFAOYSA-N 1 0 401.471 -0.294 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000676549654 1069530521 /nfs/dbraw/zinc/53/05/21/1069530521.db2.gz GTLHMPSQQXYPJA-AWEZNQCLSA-N 1 0 413.482 -0.123 20 0 HBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000676549655 1069530467 /nfs/dbraw/zinc/53/04/67/1069530467.db2.gz GTLHMPSQQXYPJA-CQSZACIVSA-N 1 0 413.482 -0.123 20 0 HBADRO O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676556325 1069529308 /nfs/dbraw/zinc/52/93/08/1069529308.db2.gz NSDZPMLNPUFTLW-UHFFFAOYSA-N 1 0 415.435 -0.305 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)cn1 ZINC000676621913 1069532099 /nfs/dbraw/zinc/53/20/99/1069532099.db2.gz FZYOOQRAVZPFJR-UHFFFAOYSA-N 1 0 414.513 -0.461 20 0 HBADRO Cc1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639980 1069532987 /nfs/dbraw/zinc/53/29/87/1069532987.db2.gz HQUNBBOECMKQII-AWEZNQCLSA-N 1 0 414.510 -0.161 20 0 HBADRO Cc1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639981 1069532904 /nfs/dbraw/zinc/53/29/04/1069532904.db2.gz HQUNBBOECMKQII-CQSZACIVSA-N 1 0 414.510 -0.161 20 0 HBADRO Cc1c(C(=O)NCCCN2CCC[N@H+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676640423 1069532864 /nfs/dbraw/zinc/53/28/64/1069532864.db2.gz XZNRRNONQVUWKU-UHFFFAOYSA-N 1 0 402.499 -0.302 20 0 HBADRO Cc1c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676640456 1069533102 /nfs/dbraw/zinc/53/31/02/1069533102.db2.gz FYKPHHOIZFAEJW-HNNXBMFYSA-N 1 0 414.510 -0.207 20 0 HBADRO Cc1c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676640457 1069532951 /nfs/dbraw/zinc/53/29/51/1069532951.db2.gz FYKPHHOIZFAEJW-OAHLLOKOSA-N 1 0 414.510 -0.207 20 0 HBADRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676644077 1069532486 /nfs/dbraw/zinc/53/24/86/1069532486.db2.gz ODCMHQVOSOLHIX-AWEZNQCLSA-N 1 0 401.467 -0.076 20 0 HBADRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676644078 1069532508 /nfs/dbraw/zinc/53/25/08/1069532508.db2.gz ODCMHQVOSOLHIX-CQSZACIVSA-N 1 0 401.467 -0.076 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(N2CCCNC2=O)CC1 ZINC000676649381 1069532475 /nfs/dbraw/zinc/53/24/75/1069532475.db2.gz WVWUPNFTXUFSCM-KRWDZBQOSA-N 1 0 408.547 -0.018 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(N2CCCNC2=O)CC1 ZINC000676649383 1069533067 /nfs/dbraw/zinc/53/30/67/1069533067.db2.gz WVWUPNFTXUFSCM-QGZVFWFLSA-N 1 0 408.547 -0.018 20 0 HBADRO CNS(=O)(=O)[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000676739603 1069535820 /nfs/dbraw/zinc/53/58/20/1069535820.db2.gz QBADDCLTAIIVQT-INIZCTEOSA-N 1 0 402.561 -0.239 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000676739606 1069535775 /nfs/dbraw/zinc/53/57/75/1069535775.db2.gz QBADDCLTAIIVQT-MRXNPFEDSA-N 1 0 402.561 -0.239 20 0 HBADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000676740420 1069536374 /nfs/dbraw/zinc/53/63/74/1069536374.db2.gz GLKTWUGXEVDINU-HNNXBMFYSA-N 1 0 418.541 -0.994 20 0 HBADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000676740421 1069536229 /nfs/dbraw/zinc/53/62/29/1069536229.db2.gz GLKTWUGXEVDINU-OAHLLOKOSA-N 1 0 418.541 -0.994 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1=O ZINC000682390948 1069289621 /nfs/dbraw/zinc/28/96/21/1069289621.db2.gz PDHSZTUSQYGVPH-HNNXBMFYSA-N 1 0 423.539 -0.607 20 0 HBADRO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683181249 1068231692 /nfs/dbraw/zinc/23/16/92/1068231692.db2.gz XQFOADKVSVFKSD-AVRDEDQJSA-N 1 0 416.522 -0.084 20 0 HBADRO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683181250 1068231646 /nfs/dbraw/zinc/23/16/46/1068231646.db2.gz XQFOADKVSVFKSD-GCJKJVERSA-N 1 0 416.522 -0.084 20 0 HBADRO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683181251 1068231341 /nfs/dbraw/zinc/23/13/41/1068231341.db2.gz XQFOADKVSVFKSD-PGRDOPGGSA-N 1 0 416.522 -0.084 20 0 HBADRO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683181252 1068231246 /nfs/dbraw/zinc/23/12/46/1068231246.db2.gz XQFOADKVSVFKSD-XMSQKQJNSA-N 1 0 416.522 -0.084 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683223039 1068248927 /nfs/dbraw/zinc/24/89/27/1068248927.db2.gz OKUGGCPFUNRLFK-INIZCTEOSA-N 1 0 404.581 -0.371 20 0 HBADRO CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683223041 1068249593 /nfs/dbraw/zinc/24/95/93/1068249593.db2.gz OKUGGCPFUNRLFK-MRXNPFEDSA-N 1 0 404.581 -0.371 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000683375014 1068296007 /nfs/dbraw/zinc/29/60/07/1068296007.db2.gz QAOKZPCNEHUJLD-INIZCTEOSA-N 1 0 405.565 -0.636 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000683375015 1068295840 /nfs/dbraw/zinc/29/58/40/1068295840.db2.gz QAOKZPCNEHUJLD-MRXNPFEDSA-N 1 0 405.565 -0.636 20 0 HBADRO Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(C(F)(F)F)n1 ZINC000683662142 1068347320 /nfs/dbraw/zinc/34/73/20/1068347320.db2.gz GKKJTJSXRFTOJY-GFCCVEGCSA-N 1 0 418.420 -0.100 20 0 HBADRO Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C(F)(F)F)n1 ZINC000683662143 1068347026 /nfs/dbraw/zinc/34/70/26/1068347026.db2.gz GKKJTJSXRFTOJY-LBPRGKRZSA-N 1 0 418.420 -0.100 20 0 HBADRO CN1CCC2(CC[NH+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000683673632 1068349052 /nfs/dbraw/zinc/34/90/52/1068349052.db2.gz CZJUXWDILAHUNW-UHFFFAOYSA-N 1 0 408.524 -0.063 20 0 HBADRO COC1(CO)CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000683675554 1068349638 /nfs/dbraw/zinc/34/96/38/1068349638.db2.gz BSQQROHARGZNRY-UHFFFAOYSA-N 1 0 403.487 -0.515 20 0 HBADRO COC1(CO)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000683679756 1068350169 /nfs/dbraw/zinc/35/01/69/1068350169.db2.gz UOSKTCUOCNPZNW-UHFFFAOYSA-N 1 0 411.524 -0.007 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000683784162 1068370657 /nfs/dbraw/zinc/37/06/57/1068370657.db2.gz LXOLZCJSROKYTF-KRWDZBQOSA-N 1 0 401.515 -0.461 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000683784163 1068370521 /nfs/dbraw/zinc/37/05/21/1068370521.db2.gz LXOLZCJSROKYTF-QGZVFWFLSA-N 1 0 401.515 -0.461 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)n2)CC1 ZINC000683813082 1068376778 /nfs/dbraw/zinc/37/67/78/1068376778.db2.gz FPCNZVOSTPKAAU-UHFFFAOYSA-N 1 0 413.548 -0.152 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)n2)CC1 ZINC000683814965 1068377307 /nfs/dbraw/zinc/37/73/07/1068377307.db2.gz GHDKNUWLCCEGIA-UHFFFAOYSA-N 1 0 423.503 -0.194 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000683827423 1068381346 /nfs/dbraw/zinc/38/13/46/1068381346.db2.gz GQAPQJFZSMIVGJ-INIZCTEOSA-N 1 0 417.576 -0.542 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000683827425 1068381542 /nfs/dbraw/zinc/38/15/42/1068381542.db2.gz GQAPQJFZSMIVGJ-MRXNPFEDSA-N 1 0 417.576 -0.542 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)n2)CC1 ZINC000683865733 1068387632 /nfs/dbraw/zinc/38/76/32/1068387632.db2.gz ZZVVRLIVWAWJQE-CYBMUJFWSA-N 1 0 412.516 -0.372 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)n2)CC1 ZINC000683865734 1068387572 /nfs/dbraw/zinc/38/75/72/1068387572.db2.gz ZZVVRLIVWAWJQE-ZDUSSCGKSA-N 1 0 412.516 -0.372 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000683873282 1068388565 /nfs/dbraw/zinc/38/85/65/1068388565.db2.gz NPKCMBIESCHKFA-UHFFFAOYSA-N 1 0 405.503 -0.679 20 0 HBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CCN2C1=O ZINC000683876067 1068388683 /nfs/dbraw/zinc/38/86/83/1068388683.db2.gz FWYGRNKCTWPSNO-INIZCTEOSA-N 1 0 405.503 -0.012 20 0 HBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CCN2C1=O ZINC000683876068 1068388598 /nfs/dbraw/zinc/38/85/98/1068388598.db2.gz FWYGRNKCTWPSNO-MRXNPFEDSA-N 1 0 405.503 -0.012 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000683880145 1068388835 /nfs/dbraw/zinc/38/88/35/1068388835.db2.gz FJFAISWVHPDKCI-FSZRXZPDSA-N 1 0 409.508 -0.161 20 0 HBADRO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000683880147 1068388471 /nfs/dbraw/zinc/38/84/71/1068388471.db2.gz FJFAISWVHPDKCI-KRXQYRFLSA-N 1 0 409.508 -0.161 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000683909047 1068392713 /nfs/dbraw/zinc/39/27/13/1068392713.db2.gz FCBPTMAVKWARNA-IBGZPJMESA-N 1 0 424.523 -0.664 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000683909048 1068392567 /nfs/dbraw/zinc/39/25/67/1068392567.db2.gz FCBPTMAVKWARNA-LJQANCHMSA-N 1 0 424.523 -0.664 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000683910545 1068393333 /nfs/dbraw/zinc/39/33/33/1068393333.db2.gz UYQAJCSOADGJIQ-IBGZPJMESA-N 1 0 424.523 -0.664 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000683910546 1068393240 /nfs/dbraw/zinc/39/32/40/1068393240.db2.gz UYQAJCSOADGJIQ-LJQANCHMSA-N 1 0 424.523 -0.664 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912472 1068393946 /nfs/dbraw/zinc/39/39/46/1068393946.db2.gz TXUGZGSMXPOIAK-CXAGYDPISA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912473 1068393670 /nfs/dbraw/zinc/39/36/70/1068393670.db2.gz TXUGZGSMXPOIAK-DYVFJYSZSA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912474 1068393750 /nfs/dbraw/zinc/39/37/50/1068393750.db2.gz TXUGZGSMXPOIAK-GUYCJALGSA-N 1 0 401.533 -0.381 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912475 1068393899 /nfs/dbraw/zinc/39/38/99/1068393899.db2.gz TXUGZGSMXPOIAK-SUMWQHHRSA-N 1 0 401.533 -0.381 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)N3CCC[C@](O)(C[NH+](C)C)C3)nc2n(C)c1=O ZINC000683914021 1068393828 /nfs/dbraw/zinc/39/38/28/1068393828.db2.gz SAQFTEGZLFLHHG-FQEVSTJZSA-N 1 0 418.498 -0.094 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)nc2n(C)c1=O ZINC000683914024 1068393708 /nfs/dbraw/zinc/39/37/08/1068393708.db2.gz SAQFTEGZLFLHHG-HXUWFJFHSA-N 1 0 418.498 -0.094 20 0 HBADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000683942432 1068401567 /nfs/dbraw/zinc/40/15/67/1068401567.db2.gz QNASZMJPOFWDBF-UHFFFAOYSA-N 1 0 404.558 -0.396 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 ZINC000684030348 1068420827 /nfs/dbraw/zinc/42/08/27/1068420827.db2.gz CQCNLOFREJZBJA-HNNXBMFYSA-N 1 0 412.516 -0.590 20 0 HBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 ZINC000684030349 1068420863 /nfs/dbraw/zinc/42/08/63/1068420863.db2.gz CQCNLOFREJZBJA-OAHLLOKOSA-N 1 0 412.516 -0.590 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000684138173 1068456690 /nfs/dbraw/zinc/45/66/90/1068456690.db2.gz KOAQHQSAMWBWLZ-AWEZNQCLSA-N 1 0 411.528 -0.325 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000684138555 1068456596 /nfs/dbraw/zinc/45/65/96/1068456596.db2.gz OBCZBCCEJYVRTM-UHFFFAOYSA-N 1 0 411.528 -0.371 20 0 HBADRO O=C(Nc1cccc(N2CCC2=O)c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684150230 1068463012 /nfs/dbraw/zinc/46/30/12/1068463012.db2.gz PPMAIZQIDMWIAB-KRWDZBQOSA-N 1 0 415.494 -0.116 20 0 HBADRO O=C(Nc1cccc(N2CCC2=O)c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684150231 1068462745 /nfs/dbraw/zinc/46/27/45/1068462745.db2.gz PPMAIZQIDMWIAB-QGZVFWFLSA-N 1 0 415.494 -0.116 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441075 1068533034 /nfs/dbraw/zinc/53/30/34/1068533034.db2.gz WRYXISOQUQHBKA-FOIQADDNSA-N 1 0 421.542 -0.113 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441076 1068532941 /nfs/dbraw/zinc/53/29/41/1068532941.db2.gz WRYXISOQUQHBKA-MGPUTAFESA-N 1 0 421.542 -0.113 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441077 1068532649 /nfs/dbraw/zinc/53/26/49/1068532649.db2.gz WRYXISOQUQHBKA-QRWLVFNGSA-N 1 0 421.542 -0.113 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441078 1068533011 /nfs/dbraw/zinc/53/30/11/1068533011.db2.gz WRYXISOQUQHBKA-YWZLYKJASA-N 1 0 421.542 -0.113 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000684441290 1068532730 /nfs/dbraw/zinc/53/27/30/1068532730.db2.gz BJYWFBLDKFQJQF-IBGZPJMESA-N 1 0 409.531 -0.254 20 0 HBADRO C[N@@H+]1CCCN(CCCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000684441291 1068532904 /nfs/dbraw/zinc/53/29/04/1068532904.db2.gz BJYWFBLDKFQJQF-LJQANCHMSA-N 1 0 409.531 -0.254 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000684443284 1068532806 /nfs/dbraw/zinc/53/28/06/1068532806.db2.gz HBEYPZUZRHBQPA-JXFKEZNVSA-N 1 0 421.542 -0.160 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000684443285 1068532886 /nfs/dbraw/zinc/53/28/86/1068532886.db2.gz HBEYPZUZRHBQPA-OXJNMPFZSA-N 1 0 421.542 -0.160 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000684443286 1068533330 /nfs/dbraw/zinc/53/33/30/1068533330.db2.gz HBEYPZUZRHBQPA-OXQOHEQNSA-N 1 0 421.542 -0.160 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000684443287 1068533483 /nfs/dbraw/zinc/53/34/83/1068533483.db2.gz HBEYPZUZRHBQPA-UZLBHIALSA-N 1 0 421.542 -0.160 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000684459730 1068538485 /nfs/dbraw/zinc/53/84/85/1068538485.db2.gz OHCYHLUIWHPKKW-BEFAXECRSA-N 1 0 408.499 -0.029 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000684459731 1068538305 /nfs/dbraw/zinc/53/83/05/1068538305.db2.gz OHCYHLUIWHPKKW-DNVCBOLYSA-N 1 0 408.499 -0.029 20 0 HBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000684459732 1068539133 /nfs/dbraw/zinc/53/91/33/1068539133.db2.gz OHCYHLUIWHPKKW-HNAYVOBHSA-N 1 0 408.499 -0.029 20 0 HBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000684459733 1068538779 /nfs/dbraw/zinc/53/87/79/1068538779.db2.gz OHCYHLUIWHPKKW-KXBFYZLASA-N 1 0 408.499 -0.029 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000684565810 1068580969 /nfs/dbraw/zinc/58/09/69/1068580969.db2.gz KGZLUXPWUOMLBG-UHFFFAOYSA-N 1 0 400.549 -0.544 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000684566801 1068581537 /nfs/dbraw/zinc/58/15/37/1068581537.db2.gz SFLNADKBXKOIJA-UHFFFAOYSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000684568282 1068582015 /nfs/dbraw/zinc/58/20/15/1068582015.db2.gz QBCQHZBXOLLQTJ-AWEZNQCLSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000684568283 1068581819 /nfs/dbraw/zinc/58/18/19/1068581819.db2.gz QBCQHZBXOLLQTJ-CQSZACIVSA-N 1 0 407.562 -0.236 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000684568345 1068581441 /nfs/dbraw/zinc/58/14/41/1068581441.db2.gz RTAVLXGGEUXPNU-UHFFFAOYSA-N 1 0 422.577 -0.826 20 0 HBADRO COCC(=O)NC1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000684569041 1068581893 /nfs/dbraw/zinc/58/18/93/1068581893.db2.gz XFRJYTJIQJOTFT-UHFFFAOYSA-N 1 0 401.533 -0.023 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000684573341 1068583348 /nfs/dbraw/zinc/58/33/48/1068583348.db2.gz JTQCCIPFNRNUND-UHFFFAOYSA-N 1 0 407.562 -0.235 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000684575510 1068584508 /nfs/dbraw/zinc/58/45/08/1068584508.db2.gz DRVQQCXNXPXFCG-KRWDZBQOSA-N 1 0 422.617 -0.300 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000684575511 1068584333 /nfs/dbraw/zinc/58/43/33/1068584333.db2.gz DRVQQCXNXPXFCG-QGZVFWFLSA-N 1 0 422.617 -0.300 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)CC2)C1 ZINC000684578065 1068585790 /nfs/dbraw/zinc/58/57/90/1068585790.db2.gz VNYMQZLBAJZGDP-AWEZNQCLSA-N 1 0 402.542 -0.114 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)CC2)C1 ZINC000684578066 1068585912 /nfs/dbraw/zinc/58/59/12/1068585912.db2.gz VNYMQZLBAJZGDP-CQSZACIVSA-N 1 0 402.542 -0.114 20 0 HBADRO CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)CCN2C1=O ZINC000684581547 1068587588 /nfs/dbraw/zinc/58/75/88/1068587588.db2.gz NRJQAXVOVNUIFU-AWEZNQCLSA-N 1 0 412.516 -0.281 20 0 HBADRO CCN1C(=O)[C@H]2CN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)CCN2C1=O ZINC000684581551 1068588076 /nfs/dbraw/zinc/58/80/76/1068588076.db2.gz NRJQAXVOVNUIFU-CQSZACIVSA-N 1 0 412.516 -0.281 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NCCN2CC[NH+](C)CC2)cc1OC ZINC000684680000 1068628819 /nfs/dbraw/zinc/62/88/19/1068628819.db2.gz GOSQWAOKEIGORK-UHFFFAOYSA-N 1 0 414.528 -0.264 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000684816417 1068677435 /nfs/dbraw/zinc/67/74/35/1068677435.db2.gz ZJCGBEBTULZYAO-NRFANRHFSA-N 1 0 400.479 -0.027 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000684816418 1068677251 /nfs/dbraw/zinc/67/72/51/1068677251.db2.gz ZJCGBEBTULZYAO-OAQYLSRUSA-N 1 0 400.479 -0.027 20 0 HBADRO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000684831738 1068684475 /nfs/dbraw/zinc/68/44/75/1068684475.db2.gz CFPUTWRYJSHYDR-INIZCTEOSA-N 1 0 404.515 -0.144 20 0 HBADRO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000684831743 1068684584 /nfs/dbraw/zinc/68/45/84/1068684584.db2.gz CFPUTWRYJSHYDR-MRXNPFEDSA-N 1 0 404.515 -0.144 20 0 HBADRO O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685029481 1068728986 /nfs/dbraw/zinc/72/89/86/1068728986.db2.gz VAEDMCMOULBARN-KRWDZBQOSA-N 1 0 415.494 -0.116 20 0 HBADRO O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685029482 1068728913 /nfs/dbraw/zinc/72/89/13/1068728913.db2.gz VAEDMCMOULBARN-QGZVFWFLSA-N 1 0 415.494 -0.116 20 0 HBADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685082947 1068760502 /nfs/dbraw/zinc/76/05/02/1068760502.db2.gz OJTYDGJOYQQKMZ-UHFFFAOYSA-N 1 0 402.561 -0.132 20 0 HBADRO CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000685094197 1068766389 /nfs/dbraw/zinc/76/63/89/1068766389.db2.gz DFAKYZYSLLPENU-KRWDZBQOSA-N 1 0 403.531 -0.214 20 0 HBADRO CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000685094198 1068766127 /nfs/dbraw/zinc/76/61/27/1068766127.db2.gz DFAKYZYSLLPENU-QGZVFWFLSA-N 1 0 403.531 -0.214 20 0 HBADRO CN(C)c1nccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000685096294 1068767636 /nfs/dbraw/zinc/76/76/36/1068767636.db2.gz XCSYQPKHFABPPL-UHFFFAOYSA-N 1 0 403.531 -0.355 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108587 1068771658 /nfs/dbraw/zinc/77/16/58/1068771658.db2.gz VIYIASDXVKNELF-DLBZAZTESA-N 1 0 424.523 -0.717 20 0 HBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108588 1068771757 /nfs/dbraw/zinc/77/17/57/1068771757.db2.gz VIYIASDXVKNELF-IAGOWNOFSA-N 1 0 424.523 -0.717 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108589 1068771447 /nfs/dbraw/zinc/77/14/47/1068771447.db2.gz VIYIASDXVKNELF-IRXDYDNUSA-N 1 0 424.523 -0.717 20 0 HBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108590 1068771544 /nfs/dbraw/zinc/77/15/44/1068771544.db2.gz VIYIASDXVKNELF-SJORKVTESA-N 1 0 424.523 -0.717 20 0 HBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000685112175 1068773364 /nfs/dbraw/zinc/77/33/64/1068773364.db2.gz BMIGBKCDXJQYGB-CABCVRRESA-N 1 0 414.547 -0.681 20 0 HBADRO C[C@H](O)CN(C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H](C)CO ZINC000685112176 1068773273 /nfs/dbraw/zinc/77/32/73/1068773273.db2.gz BMIGBKCDXJQYGB-GJZGRUSLSA-N 1 0 414.547 -0.681 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H](C)CO ZINC000685112177 1068773536 /nfs/dbraw/zinc/77/35/36/1068773536.db2.gz BMIGBKCDXJQYGB-HUUCEWRRSA-N 1 0 414.547 -0.681 20 0 HBADRO C[C@@H](O)CN(C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H](C)CO ZINC000685112178 1068773438 /nfs/dbraw/zinc/77/34/38/1068773438.db2.gz BMIGBKCDXJQYGB-LSDHHAIUSA-N 1 0 414.547 -0.681 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC(=O)N1C ZINC000685112248 1068773581 /nfs/dbraw/zinc/77/35/81/1068773581.db2.gz ZLAXTRFNFRBSPA-AWEZNQCLSA-N 1 0 409.531 -0.582 20 0 HBADRO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC(=O)N1C ZINC000685112249 1068773469 /nfs/dbraw/zinc/77/34/69/1068773469.db2.gz ZLAXTRFNFRBSPA-CQSZACIVSA-N 1 0 409.531 -0.582 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1=O ZINC000685112284 1068773515 /nfs/dbraw/zinc/77/35/15/1068773515.db2.gz INARAWCGIGRUFQ-HNNXBMFYSA-N 1 0 423.558 -0.192 20 0 HBADRO CCN1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1=O ZINC000685112285 1068773317 /nfs/dbraw/zinc/77/33/17/1068773317.db2.gz INARAWCGIGRUFQ-OAHLLOKOSA-N 1 0 423.558 -0.192 20 0 HBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000685112292 1068773342 /nfs/dbraw/zinc/77/33/42/1068773342.db2.gz IWUWGFDEYRSKNS-AWEZNQCLSA-N 1 0 409.531 -0.534 20 0 HBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000685112294 1068773557 /nfs/dbraw/zinc/77/35/57/1068773557.db2.gz IWUWGFDEYRSKNS-CQSZACIVSA-N 1 0 409.531 -0.534 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000685112733 1068774763 /nfs/dbraw/zinc/77/47/63/1068774763.db2.gz FPGUAXJWETULGF-UHFFFAOYSA-N 1 0 406.474 -0.185 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000685112751 1068774647 /nfs/dbraw/zinc/77/46/47/1068774647.db2.gz JHSZVVYLRKUYGW-HNNXBMFYSA-N 1 0 423.558 -0.192 20 0 HBADRO CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000685112752 1068774563 /nfs/dbraw/zinc/77/45/63/1068774563.db2.gz JHSZVVYLRKUYGW-OAHLLOKOSA-N 1 0 423.558 -0.192 20 0 HBADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000685131348 1068783616 /nfs/dbraw/zinc/78/36/16/1068783616.db2.gz RCLIOAXEBZBUDM-UHFFFAOYSA-N 1 0 413.544 -0.125 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000685131843 1068783803 /nfs/dbraw/zinc/78/38/03/1068783803.db2.gz ABJNYAHLFLGQSD-UHFFFAOYSA-N 1 0 403.487 -0.058 20 0 HBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000685140641 1068787970 /nfs/dbraw/zinc/78/79/70/1068787970.db2.gz WWSNBOUYNWSSSS-UHFFFAOYSA-N 1 0 403.483 -0.126 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166480 1068799715 /nfs/dbraw/zinc/79/97/15/1068799715.db2.gz MOVVFMITVYMORT-PBHICJAKSA-N 1 0 420.514 -0.665 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166482 1068799801 /nfs/dbraw/zinc/79/98/01/1068799801.db2.gz MOVVFMITVYMORT-RHSMWYFYSA-N 1 0 420.514 -0.665 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166485 1068799832 /nfs/dbraw/zinc/79/98/32/1068799832.db2.gz MOVVFMITVYMORT-WMLDXEAASA-N 1 0 420.514 -0.665 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166487 1068799697 /nfs/dbraw/zinc/79/96/97/1068799697.db2.gz MOVVFMITVYMORT-YOEHRIQHSA-N 1 0 420.514 -0.665 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685167904 1068801805 /nfs/dbraw/zinc/80/18/05/1068801805.db2.gz FRXIBMNSZOOJPX-DOTOQJQBSA-N 1 0 419.530 -0.874 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685167907 1068801954 /nfs/dbraw/zinc/80/19/54/1068801954.db2.gz FRXIBMNSZOOJPX-NVXWUHKLSA-N 1 0 419.530 -0.874 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685167909 1068801753 /nfs/dbraw/zinc/80/17/53/1068801753.db2.gz FRXIBMNSZOOJPX-RDJZCZTQSA-N 1 0 419.530 -0.874 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685167911 1068802216 /nfs/dbraw/zinc/80/22/16/1068802216.db2.gz FRXIBMNSZOOJPX-WBVHZDCISA-N 1 0 419.530 -0.874 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168215 1068802787 /nfs/dbraw/zinc/80/27/87/1068802787.db2.gz AGIBSPIZYBQGPD-JHNDHUHGSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168220 1068802727 /nfs/dbraw/zinc/80/27/27/1068802727.db2.gz AGIBSPIZYBQGPD-OHFALNGGSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168222 1068802948 /nfs/dbraw/zinc/80/29/48/1068802948.db2.gz AGIBSPIZYBQGPD-TXCZRRACSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168224 1068802617 /nfs/dbraw/zinc/80/26/17/1068802617.db2.gz AGIBSPIZYBQGPD-YQFWSFKMSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168382 1068805977 /nfs/dbraw/zinc/80/59/77/1068805977.db2.gz LJQOXSMYAWFALG-BFYDXBDKSA-N 1 0 420.514 -0.353 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168383 1068806176 /nfs/dbraw/zinc/80/61/76/1068806176.db2.gz LJQOXSMYAWFALG-INMHGKMJSA-N 1 0 420.514 -0.353 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168384 1068806312 /nfs/dbraw/zinc/80/63/12/1068806312.db2.gz LJQOXSMYAWFALG-UXLLHSPISA-N 1 0 420.514 -0.353 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685168386 1068805747 /nfs/dbraw/zinc/80/57/47/1068805747.db2.gz LJQOXSMYAWFALG-ZMSDIMECSA-N 1 0 420.514 -0.353 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169353 1068805346 /nfs/dbraw/zinc/80/53/46/1068805346.db2.gz OVRFYPYQSUVFJM-PBHICJAKSA-N 1 0 411.466 -0.226 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169386 1068805270 /nfs/dbraw/zinc/80/52/70/1068805270.db2.gz OVRFYPYQSUVFJM-RHSMWYFYSA-N 1 0 411.466 -0.226 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169390 1068805190 /nfs/dbraw/zinc/80/51/90/1068805190.db2.gz OVRFYPYQSUVFJM-WMLDXEAASA-N 1 0 411.466 -0.226 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169392 1068805326 /nfs/dbraw/zinc/80/53/26/1068805326.db2.gz OVRFYPYQSUVFJM-YOEHRIQHSA-N 1 0 411.466 -0.226 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170265 1068806128 /nfs/dbraw/zinc/80/61/28/1068806128.db2.gz QLMQNRKIELRESJ-DJIMGWMZSA-N 1 0 420.514 -0.497 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170268 1068806021 /nfs/dbraw/zinc/80/60/21/1068806021.db2.gz QLMQNRKIELRESJ-OIISXLGYSA-N 1 0 420.514 -0.497 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170270 1068805846 /nfs/dbraw/zinc/80/58/46/1068805846.db2.gz QLMQNRKIELRESJ-UAGQMJEPSA-N 1 0 420.514 -0.497 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170272 1068806236 /nfs/dbraw/zinc/80/62/36/1068806236.db2.gz QLMQNRKIELRESJ-USXIJHARSA-N 1 0 420.514 -0.497 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C(=O)N1c1cnn(C)c1 ZINC000685172331 1068810743 /nfs/dbraw/zinc/81/07/43/1068810743.db2.gz QRZCZEZYRBKVFO-JHNDHUHGSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C(=O)N1c1cnn(C)c1 ZINC000685172333 1068811032 /nfs/dbraw/zinc/81/10/32/1068811032.db2.gz QRZCZEZYRBKVFO-OHFALNGGSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C(=O)N1c1cnn(C)c1 ZINC000685172334 1068811073 /nfs/dbraw/zinc/81/10/73/1068811073.db2.gz QRZCZEZYRBKVFO-TXCZRRACSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C(=O)N1c1cnn(C)c1 ZINC000685172335 1068810817 /nfs/dbraw/zinc/81/08/17/1068810817.db2.gz QRZCZEZYRBKVFO-YQFWSFKMSA-N 1 0 402.499 -0.027 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685172540 1068808781 /nfs/dbraw/zinc/80/87/81/1068808781.db2.gz LUJLWEBQFOYTOT-GDBMZVCRSA-N 1 0 419.530 -0.828 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685172546 1068809082 /nfs/dbraw/zinc/80/90/82/1068809082.db2.gz LUJLWEBQFOYTOT-GOEBONIOSA-N 1 0 419.530 -0.828 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685172548 1068809151 /nfs/dbraw/zinc/80/91/51/1068809151.db2.gz LUJLWEBQFOYTOT-HOCLYGCPSA-N 1 0 419.530 -0.828 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685172550 1068808970 /nfs/dbraw/zinc/80/89/70/1068808970.db2.gz LUJLWEBQFOYTOT-ZBFHGGJFSA-N 1 0 419.530 -0.828 20 0 HBADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685172823 1068809829 /nfs/dbraw/zinc/80/98/29/1068809829.db2.gz HOJNCAGEBXZNQF-CYBMUJFWSA-N 1 0 401.489 -0.801 20 0 HBADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685172824 1068809777 /nfs/dbraw/zinc/80/97/77/1068809777.db2.gz HOJNCAGEBXZNQF-ZDUSSCGKSA-N 1 0 401.489 -0.801 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000685173080 1068812275 /nfs/dbraw/zinc/81/22/75/1068812275.db2.gz VIFNMXYRNKJRNU-HNNXBMFYSA-N 1 0 413.500 -0.703 20 0 HBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000685173083 1068812261 /nfs/dbraw/zinc/81/22/61/1068812261.db2.gz VIFNMXYRNKJRNU-OAHLLOKOSA-N 1 0 413.500 -0.703 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173606 1068813442 /nfs/dbraw/zinc/81/34/42/1068813442.db2.gz RKPLZBSYUHCBDC-BFYDXBDKSA-N 1 0 402.499 -0.026 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173608 1068813357 /nfs/dbraw/zinc/81/33/57/1068813357.db2.gz RKPLZBSYUHCBDC-HLLBOEOZSA-N 1 0 402.499 -0.026 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173610 1068813259 /nfs/dbraw/zinc/81/32/59/1068813259.db2.gz RKPLZBSYUHCBDC-INMHGKMJSA-N 1 0 402.499 -0.026 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173612 1068813420 /nfs/dbraw/zinc/81/34/20/1068813420.db2.gz RKPLZBSYUHCBDC-VYDXJSESSA-N 1 0 402.499 -0.026 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685175212 1068814988 /nfs/dbraw/zinc/81/49/88/1068814988.db2.gz LQIMCCHTBHUELE-PBHICJAKSA-N 1 0 420.514 -0.353 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685175214 1068815091 /nfs/dbraw/zinc/81/50/91/1068815091.db2.gz LQIMCCHTBHUELE-RHSMWYFYSA-N 1 0 420.514 -0.353 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685175216 1068815059 /nfs/dbraw/zinc/81/50/59/1068815059.db2.gz LQIMCCHTBHUELE-WMLDXEAASA-N 1 0 420.514 -0.353 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685175219 1068815129 /nfs/dbraw/zinc/81/51/29/1068815129.db2.gz LQIMCCHTBHUELE-YOEHRIQHSA-N 1 0 420.514 -0.353 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175543 1068813953 /nfs/dbraw/zinc/81/39/53/1068813953.db2.gz MSNHMJIMNVPKFK-FMKPAKJESA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175544 1068813904 /nfs/dbraw/zinc/81/39/04/1068813904.db2.gz MSNHMJIMNVPKFK-IIAWOOMASA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175545 1068813766 /nfs/dbraw/zinc/81/37/66/1068813766.db2.gz MSNHMJIMNVPKFK-LZWOXQAQSA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175547 1068814009 /nfs/dbraw/zinc/81/40/09/1068814009.db2.gz MSNHMJIMNVPKFK-SQWLQELKSA-N 1 0 406.487 -0.743 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C(=O)N1c1cnn(C)c1 ZINC000685175904 1068817583 /nfs/dbraw/zinc/81/75/83/1068817583.db2.gz RIRRXVDLDQFWNT-DJIMGWMZSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C(=O)N1c1cnn(C)c1 ZINC000685175905 1068817389 /nfs/dbraw/zinc/81/73/89/1068817389.db2.gz RIRRXVDLDQFWNT-HYVNUMGLSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C(=O)N1c1cnn(C)c1 ZINC000685175906 1068817299 /nfs/dbraw/zinc/81/72/99/1068817299.db2.gz RIRRXVDLDQFWNT-OIISXLGYSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C(=O)N1c1cnn(C)c1 ZINC000685175907 1068817525 /nfs/dbraw/zinc/81/75/25/1068817525.db2.gz RIRRXVDLDQFWNT-PVAVHDDUSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175916 1068817356 /nfs/dbraw/zinc/81/73/56/1068817356.db2.gz RNWRDSVMZKIQAO-PBHICJAKSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175917 1068817635 /nfs/dbraw/zinc/81/76/35/1068817635.db2.gz RNWRDSVMZKIQAO-RHSMWYFYSA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175918 1068817345 /nfs/dbraw/zinc/81/73/45/1068817345.db2.gz RNWRDSVMZKIQAO-WMLDXEAASA-N 1 0 420.514 -0.401 20 0 HBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175919 1068817512 /nfs/dbraw/zinc/81/75/12/1068817512.db2.gz RNWRDSVMZKIQAO-YOEHRIQHSA-N 1 0 420.514 -0.401 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176162 1068816316 /nfs/dbraw/zinc/81/63/16/1068816316.db2.gz VGBLMRTWSGFTJI-BBRMVZONSA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176163 1068816044 /nfs/dbraw/zinc/81/60/44/1068816044.db2.gz VGBLMRTWSGFTJI-CJNGLKHVSA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176164 1068816155 /nfs/dbraw/zinc/81/61/55/1068816155.db2.gz VGBLMRTWSGFTJI-CZUORRHYSA-N 1 0 406.487 -0.743 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685176165 1068816289 /nfs/dbraw/zinc/81/62/89/1068816289.db2.gz VGBLMRTWSGFTJI-XJKSGUPXSA-N 1 0 406.487 -0.743 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685176739 1068816638 /nfs/dbraw/zinc/81/66/38/1068816638.db2.gz ZXOZMFTYATYCMC-KCYZZUKISA-N 1 0 420.514 -0.354 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685176740 1068816755 /nfs/dbraw/zinc/81/67/55/1068816755.db2.gz ZXOZMFTYATYCMC-KLZNWCGWSA-N 1 0 420.514 -0.354 20 0 HBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685176741 1068816957 /nfs/dbraw/zinc/81/69/57/1068816957.db2.gz ZXOZMFTYATYCMC-LJIGWXMPSA-N 1 0 420.514 -0.354 20 0 HBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685176742 1068816853 /nfs/dbraw/zinc/81/68/53/1068816853.db2.gz ZXOZMFTYATYCMC-PNBKFKSVSA-N 1 0 420.514 -0.354 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000685199852 1068824258 /nfs/dbraw/zinc/82/42/58/1068824258.db2.gz BCIXOVIVFABDGO-UHFFFAOYSA-N 1 0 402.517 -0.086 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000685200430 1068825611 /nfs/dbraw/zinc/82/56/11/1068825611.db2.gz JMDVNEQJBODVGJ-UHFFFAOYSA-N 1 0 415.560 -0.341 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685276231 1068849783 /nfs/dbraw/zinc/84/97/83/1068849783.db2.gz UZPOIJQNRFTIDP-BBWFWOEESA-N 1 0 421.542 -0.881 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685276232 1068849690 /nfs/dbraw/zinc/84/96/90/1068849690.db2.gz UZPOIJQNRFTIDP-BRWVUGGUSA-N 1 0 421.542 -0.881 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685276233 1068849932 /nfs/dbraw/zinc/84/99/32/1068849932.db2.gz UZPOIJQNRFTIDP-GVDBMIGSSA-N 1 0 421.542 -0.881 20 0 HBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685276234 1068849845 /nfs/dbraw/zinc/84/98/45/1068849845.db2.gz UZPOIJQNRFTIDP-ZACQAIPSSA-N 1 0 421.542 -0.881 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)no1 ZINC000685302544 1068860699 /nfs/dbraw/zinc/86/06/99/1068860699.db2.gz KLQSYACZHRQDBP-BBRMVZONSA-N 1 0 418.498 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)no1 ZINC000685302545 1068860981 /nfs/dbraw/zinc/86/09/81/1068860981.db2.gz KLQSYACZHRQDBP-CJNGLKHVSA-N 1 0 418.498 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)no1 ZINC000685302546 1068861065 /nfs/dbraw/zinc/86/10/65/1068861065.db2.gz KLQSYACZHRQDBP-CZUORRHYSA-N 1 0 418.498 -0.335 20 0 HBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)no1 ZINC000685302547 1068860867 /nfs/dbraw/zinc/86/08/67/1068860867.db2.gz KLQSYACZHRQDBP-XJKSGUPXSA-N 1 0 418.498 -0.335 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685304904 1068861574 /nfs/dbraw/zinc/86/15/74/1068861574.db2.gz NHVWXUNQDHBHRC-BQFCYCMXSA-N 1 0 423.558 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000685304928 1068861663 /nfs/dbraw/zinc/86/16/63/1068861663.db2.gz NHVWXUNQDHBHRC-RYRKJORJSA-N 1 0 423.558 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000685304931 1068861710 /nfs/dbraw/zinc/86/17/10/1068861710.db2.gz NHVWXUNQDHBHRC-SOLBZPMBSA-N 1 0 423.558 -0.729 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685304933 1068861749 /nfs/dbraw/zinc/86/17/49/1068861749.db2.gz NHVWXUNQDHBHRC-XYJFISCASA-N 1 0 423.558 -0.729 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000685310180 1068864691 /nfs/dbraw/zinc/86/46/91/1068864691.db2.gz HNPRWTRJRJGWGB-CRAIPNDOSA-N 1 0 405.543 -0.402 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000685310181 1068864341 /nfs/dbraw/zinc/86/43/41/1068864341.db2.gz HNPRWTRJRJGWGB-MAUKXSAKSA-N 1 0 405.543 -0.402 20 0 HBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000685310182 1068864478 /nfs/dbraw/zinc/86/44/78/1068864478.db2.gz HNPRWTRJRJGWGB-QAPCUYQASA-N 1 0 405.543 -0.402 20 0 HBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000685310183 1068864885 /nfs/dbraw/zinc/86/48/85/1068864885.db2.gz HNPRWTRJRJGWGB-YJBOKZPZSA-N 1 0 405.543 -0.402 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000685313502 1068865436 /nfs/dbraw/zinc/86/54/36/1068865436.db2.gz FXKHLMCBXCHVLG-INIZCTEOSA-N 1 0 420.514 -0.574 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000685313503 1068865261 /nfs/dbraw/zinc/86/52/61/1068865261.db2.gz FXKHLMCBXCHVLG-MRXNPFEDSA-N 1 0 420.514 -0.574 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000685314002 1068865821 /nfs/dbraw/zinc/86/58/21/1068865821.db2.gz LQBRHGRHMIWUBE-CVEARBPZSA-N 1 0 419.530 -0.906 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000685314003 1068866082 /nfs/dbraw/zinc/86/60/82/1068866082.db2.gz LQBRHGRHMIWUBE-HOTGVXAUSA-N 1 0 419.530 -0.906 20 0 HBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000685314004 1068866111 /nfs/dbraw/zinc/86/61/11/1068866111.db2.gz LQBRHGRHMIWUBE-HZPDHXFCSA-N 1 0 419.530 -0.906 20 0 HBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000685314005 1068865767 /nfs/dbraw/zinc/86/57/67/1068865767.db2.gz LQBRHGRHMIWUBE-JKSUJKDBSA-N 1 0 419.530 -0.906 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000685328097 1068882130 /nfs/dbraw/zinc/88/21/30/1068882130.db2.gz CGXGGYAHWKTTAA-HNNXBMFYSA-N 1 0 400.476 -0.448 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000685328098 1068882408 /nfs/dbraw/zinc/88/24/08/1068882408.db2.gz CGXGGYAHWKTTAA-OAHLLOKOSA-N 1 0 400.476 -0.448 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000685328106 1068882448 /nfs/dbraw/zinc/88/24/48/1068882448.db2.gz CWCIUJXOGNQAGR-UHFFFAOYSA-N 1 0 400.545 -0.282 20 0 HBADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)C2)CC1 ZINC000685328186 1068882954 /nfs/dbraw/zinc/88/29/54/1068882954.db2.gz LVMRWUIOCUZAJK-INIZCTEOSA-N 1 0 414.572 -0.036 20 0 HBADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)C2)CC1 ZINC000685328187 1068882803 /nfs/dbraw/zinc/88/28/03/1068882803.db2.gz LVMRWUIOCUZAJK-MRXNPFEDSA-N 1 0 414.572 -0.036 20 0 HBADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000685328208 1068883026 /nfs/dbraw/zinc/88/30/26/1068883026.db2.gz BGAYPUCOGRDUQW-UHFFFAOYSA-N 1 0 410.540 -0.107 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000685328231 1068882700 /nfs/dbraw/zinc/88/27/00/1068882700.db2.gz BVCXGTMEVRHSPH-UHFFFAOYSA-N 1 0 408.524 -0.272 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000685328771 1068883579 /nfs/dbraw/zinc/88/35/79/1068883579.db2.gz WKSQTDRVOVGWAD-UHFFFAOYSA-N 1 0 416.544 -0.903 20 0 HBADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)o1 ZINC000685328777 1068883463 /nfs/dbraw/zinc/88/34/63/1068883463.db2.gz WSFFNMQDJFXQOC-UHFFFAOYSA-N 1 0 400.501 -0.514 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000685328814 1068883652 /nfs/dbraw/zinc/88/36/52/1068883652.db2.gz XYNJKYNXIHFWCI-KRWDZBQOSA-N 1 0 408.524 -0.273 20 0 HBADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000685328815 1068883529 /nfs/dbraw/zinc/88/35/29/1068883529.db2.gz XYNJKYNXIHFWCI-QGZVFWFLSA-N 1 0 408.524 -0.273 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000685329201 1068884167 /nfs/dbraw/zinc/88/41/67/1068884167.db2.gz DITLBPJIJRFBNF-HDICACEKSA-N 1 0 420.535 -0.416 20 0 HBADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329322 1068884060 /nfs/dbraw/zinc/88/40/60/1068884060.db2.gz IJICULZPRSLVPM-UHFFFAOYSA-N 1 0 414.503 -0.277 20 0 HBADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685329532 1068884594 /nfs/dbraw/zinc/88/45/94/1068884594.db2.gz RKSMJYPVUNFHMV-UHFFFAOYSA-N 1 0 402.561 -0.036 20 0 HBADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329594 1068884658 /nfs/dbraw/zinc/88/46/58/1068884658.db2.gz XMNLQODPOBDWDE-UHFFFAOYSA-N 1 0 414.503 -0.277 20 0 HBADRO CN(C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685329664 1068881725 /nfs/dbraw/zinc/88/17/25/1068881725.db2.gz IMBNQZPPHZKVPI-KRWDZBQOSA-N 1 0 408.524 -0.273 20 0 HBADRO CN(C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685329665 1068881608 /nfs/dbraw/zinc/88/16/08/1068881608.db2.gz IMBNQZPPHZKVPI-QGZVFWFLSA-N 1 0 408.524 -0.273 20 0 HBADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329710 1068881816 /nfs/dbraw/zinc/88/18/16/1068881816.db2.gz LEBOJZXDWZXCOG-UHFFFAOYSA-N 1 0 414.503 -0.277 20 0 HBADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329810 1068881573 /nfs/dbraw/zinc/88/15/73/1068881573.db2.gz RVMYYUXTYFIDHL-UHFFFAOYSA-N 1 0 402.542 -0.354 20 0 HBADRO CC1CCC([NH+]2CCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC000685329971 1068881777 /nfs/dbraw/zinc/88/17/77/1068881777.db2.gz VDUFDOYBNFYLIS-UHFFFAOYSA-N 1 0 400.545 -0.283 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CC2)CC1 ZINC000685337643 1068888250 /nfs/dbraw/zinc/88/82/50/1068888250.db2.gz GDEJWJOAAAXFFP-HKUYNNGSSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)CC2)CC1 ZINC000685337644 1068888281 /nfs/dbraw/zinc/88/82/81/1068888281.db2.gz GDEJWJOAAAXFFP-IEBWSBKVSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CC2)CC1 ZINC000685337645 1068887969 /nfs/dbraw/zinc/88/79/69/1068887969.db2.gz GDEJWJOAAAXFFP-MJGOQNOKSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)CC1 ZINC000685337646 1068887915 /nfs/dbraw/zinc/88/79/15/1068887915.db2.gz GDEJWJOAAAXFFP-PKOBYXMFSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CC2)CC1 ZINC000685339794 1068886378 /nfs/dbraw/zinc/88/63/78/1068886378.db2.gz MXVRISRNBQGQRU-HKUYNNGSSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)CC2)CC1 ZINC000685339795 1068886230 /nfs/dbraw/zinc/88/62/30/1068886230.db2.gz MXVRISRNBQGQRU-IEBWSBKVSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CC2)CC1 ZINC000685339796 1068886366 /nfs/dbraw/zinc/88/63/66/1068886366.db2.gz MXVRISRNBQGQRU-MJGOQNOKSA-N 1 0 409.575 -0.161 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)CC1 ZINC000685339797 1068886487 /nfs/dbraw/zinc/88/64/87/1068886487.db2.gz MXVRISRNBQGQRU-PKOBYXMFSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CN(C)CCO1 ZINC000685340027 1068886289 /nfs/dbraw/zinc/88/62/89/1068886289.db2.gz OHRXYNSDNOYDAH-BBCBXFPWSA-N 1 0 407.559 -0.409 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CN(C)CCO1 ZINC000685340028 1068886448 /nfs/dbraw/zinc/88/64/48/1068886448.db2.gz OHRXYNSDNOYDAH-BSLJZLGVSA-N 1 0 407.559 -0.409 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CN(C)CCO1 ZINC000685340029 1068886178 /nfs/dbraw/zinc/88/61/78/1068886178.db2.gz OHRXYNSDNOYDAH-FSGLHJGXSA-N 1 0 407.559 -0.409 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CN(C)CCO1 ZINC000685340030 1068886102 /nfs/dbraw/zinc/88/61/02/1068886102.db2.gz OHRXYNSDNOYDAH-QRXAFDDPSA-N 1 0 407.559 -0.409 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341939 1068888720 /nfs/dbraw/zinc/88/87/20/1068888720.db2.gz WOYCLTSALAGMHT-MSOLQXFVSA-N 1 0 409.575 -0.112 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC000685341940 1068888741 /nfs/dbraw/zinc/88/87/41/1068888741.db2.gz WOYCLTSALAGMHT-QZTJIDSGSA-N 1 0 409.575 -0.112 20 0 HBADRO C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341941 1068889198 /nfs/dbraw/zinc/88/91/98/1068889198.db2.gz WOYCLTSALAGMHT-ROUUACIJSA-N 1 0 409.575 -0.112 20 0 HBADRO C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC000685341942 1068889056 /nfs/dbraw/zinc/88/90/56/1068889056.db2.gz WOYCLTSALAGMHT-ZWKOTPCHSA-N 1 0 409.575 -0.112 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CN(C)CCO1 ZINC000685341960 1068889143 /nfs/dbraw/zinc/88/91/43/1068889143.db2.gz WYXDDMQEFSZQGC-MSOLQXFVSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1CN(C)CCO1 ZINC000685341961 1068888795 /nfs/dbraw/zinc/88/87/95/1068888795.db2.gz WYXDDMQEFSZQGC-QZTJIDSGSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CN(C)CCO1 ZINC000685341962 1068888675 /nfs/dbraw/zinc/88/86/75/1068888675.db2.gz WYXDDMQEFSZQGC-ROUUACIJSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1CN(C)CCO1 ZINC000685341964 1068889026 /nfs/dbraw/zinc/88/90/26/1068889026.db2.gz WYXDDMQEFSZQGC-ZWKOTPCHSA-N 1 0 409.575 -0.302 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1CN(C)CCO1 ZINC000685342483 1068888881 /nfs/dbraw/zinc/88/88/81/1068888881.db2.gz IAPJJRSBTBEQDU-AKHDSKFASA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CN(C)CCO1 ZINC000685342489 1068888826 /nfs/dbraw/zinc/88/88/26/1068888826.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1CN(C)CCO1 ZINC000685342495 1068888944 /nfs/dbraw/zinc/88/89/44/1068888944.db2.gz IAPJJRSBTBEQDU-YRXWBPOGSA-N 1 0 409.575 -0.161 20 0 HBADRO C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CN(C)CCO1 ZINC000685342504 1068889963 /nfs/dbraw/zinc/88/99/63/1068889963.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 1 0 409.575 -0.161 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000685381528 1068894024 /nfs/dbraw/zinc/89/40/24/1068894024.db2.gz JLPXAUZIVFKWNN-JXXFODFXSA-N 1 0 424.567 -0.078 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000685381529 1068894134 /nfs/dbraw/zinc/89/41/34/1068894134.db2.gz JLPXAUZIVFKWNN-QINHECLXSA-N 1 0 424.567 -0.078 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000685381530 1068894119 /nfs/dbraw/zinc/89/41/19/1068894119.db2.gz JLPXAUZIVFKWNN-RZQQEMMASA-N 1 0 424.567 -0.078 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000685381531 1068894060 /nfs/dbraw/zinc/89/40/60/1068894060.db2.gz JLPXAUZIVFKWNN-YRNRMSPPSA-N 1 0 424.567 -0.078 20 0 HBADRO CSc1nnc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000685421633 1068896722 /nfs/dbraw/zinc/89/67/22/1068896722.db2.gz JGPOUMZBISDQSA-UHFFFAOYSA-N 1 0 412.541 -0.357 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685431051 1068897332 /nfs/dbraw/zinc/89/73/32/1068897332.db2.gz BARDSSCPUBMKFO-HNNXBMFYSA-N 1 0 406.531 -0.154 20 0 HBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685431052 1068897208 /nfs/dbraw/zinc/89/72/08/1068897208.db2.gz BARDSSCPUBMKFO-OAHLLOKOSA-N 1 0 406.531 -0.154 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000685435534 1068897964 /nfs/dbraw/zinc/89/79/64/1068897964.db2.gz FKQBZXOIUOJFAV-UHFFFAOYSA-N 1 0 411.478 -0.290 20 0 HBADRO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)CCC2 ZINC000685445693 1068898521 /nfs/dbraw/zinc/89/85/21/1068898521.db2.gz UVMVOPFWTLNFBQ-KRWDZBQOSA-N 1 0 407.515 -0.062 20 0 HBADRO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)CCC2 ZINC000685445694 1068898565 /nfs/dbraw/zinc/89/85/65/1068898565.db2.gz UVMVOPFWTLNFBQ-QGZVFWFLSA-N 1 0 407.515 -0.062 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000685450805 1068898551 /nfs/dbraw/zinc/89/85/51/1068898551.db2.gz RTCLPUSRUZPAJA-BPCQOVAHSA-N 1 0 406.405 -0.379 20 0 HBADRO NC(=O)[C@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCO1 ZINC000685450806 1068898474 /nfs/dbraw/zinc/89/84/74/1068898474.db2.gz RTCLPUSRUZPAJA-WXRRBKDZSA-N 1 0 406.405 -0.379 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000685487069 1068900032 /nfs/dbraw/zinc/90/00/32/1068900032.db2.gz JGVXEZZEJLXKQJ-KRWDZBQOSA-N 1 0 410.540 -0.053 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000685487070 1068900046 /nfs/dbraw/zinc/90/00/46/1068900046.db2.gz JGVXEZZEJLXKQJ-QGZVFWFLSA-N 1 0 410.540 -0.053 20 0 HBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000685501211 1068900423 /nfs/dbraw/zinc/90/04/23/1068900423.db2.gz ZDIHJQBLABMPSV-INIZCTEOSA-N 1 0 405.499 -0.931 20 0 HBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000685501212 1068901241 /nfs/dbraw/zinc/90/12/41/1068901241.db2.gz ZDIHJQBLABMPSV-MRXNPFEDSA-N 1 0 405.499 -0.931 20 0 HBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)CC1 ZINC000685511009 1068901330 /nfs/dbraw/zinc/90/13/30/1068901330.db2.gz FIMBCNWXMLKZDB-UHFFFAOYSA-N 1 0 421.586 -0.016 20 0 HBADRO CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685511195 1068901182 /nfs/dbraw/zinc/90/11/82/1068901182.db2.gz XBZLCFPGWIPVTR-GOSISDBHSA-N 1 0 407.559 -0.406 20 0 HBADRO CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685511196 1068900985 /nfs/dbraw/zinc/90/09/85/1068900985.db2.gz XBZLCFPGWIPVTR-SFHVURJKSA-N 1 0 407.559 -0.406 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1)N1CCCC1 ZINC000685519676 1068902455 /nfs/dbraw/zinc/90/24/55/1068902455.db2.gz ASSIPALUWREYOA-UHFFFAOYSA-N 1 0 405.543 -0.256 20 0 HBADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)CCCN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000685524363 1068903644 /nfs/dbraw/zinc/90/36/44/1068903644.db2.gz BHXAEFQJQPLKAT-GOSISDBHSA-N 1 0 419.574 -0.091 20 0 HBADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)CCCN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000685524365 1068903793 /nfs/dbraw/zinc/90/37/93/1068903793.db2.gz BHXAEFQJQPLKAT-SFHVURJKSA-N 1 0 419.574 -0.091 20 0 HBADRO CC[NH+](CC)CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000685592793 1068907336 /nfs/dbraw/zinc/90/73/36/1068907336.db2.gz UXGQQRKXHMSENA-UHFFFAOYSA-N 1 0 407.562 -0.166 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000685595133 1068907948 /nfs/dbraw/zinc/90/79/48/1068907948.db2.gz NKTHSWAHSCEJHV-UHFFFAOYSA-N 1 0 402.904 -0.149 20 0 HBADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685646672 1068911191 /nfs/dbraw/zinc/91/11/91/1068911191.db2.gz KUSIPZPGFPWEDM-KRWDZBQOSA-N 1 0 416.569 -0.122 20 0 HBADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685646673 1068911032 /nfs/dbraw/zinc/91/10/32/1068911032.db2.gz KUSIPZPGFPWEDM-QGZVFWFLSA-N 1 0 416.569 -0.122 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000685677951 1068912523 /nfs/dbraw/zinc/91/25/23/1068912523.db2.gz YSOYZIQACAACPA-AWEZNQCLSA-N 1 0 413.500 -0.490 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685677952 1068912617 /nfs/dbraw/zinc/91/26/17/1068912617.db2.gz YSOYZIQACAACPA-CQSZACIVSA-N 1 0 413.500 -0.490 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000685717094 1068924796 /nfs/dbraw/zinc/92/47/96/1068924796.db2.gz QZEDJDDGKFFZMG-MSOLQXFVSA-N 1 0 424.523 -0.019 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000685717097 1068924687 /nfs/dbraw/zinc/92/46/87/1068924687.db2.gz QZEDJDDGKFFZMG-QZTJIDSGSA-N 1 0 424.523 -0.019 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000685717099 1068924764 /nfs/dbraw/zinc/92/47/64/1068924764.db2.gz QZEDJDDGKFFZMG-ROUUACIJSA-N 1 0 424.523 -0.019 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000685717100 1068924829 /nfs/dbraw/zinc/92/48/29/1068924829.db2.gz QZEDJDDGKFFZMG-ZWKOTPCHSA-N 1 0 424.523 -0.019 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1 ZINC000685718795 1068925007 /nfs/dbraw/zinc/92/50/07/1068925007.db2.gz ZAKLHSXDULVVSD-UHFFFAOYSA-N 1 0 417.466 -0.031 20 0 HBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000685729653 1068927292 /nfs/dbraw/zinc/92/72/92/1068927292.db2.gz JUJNGYBNTZXNNA-KRWDZBQOSA-N 1 0 402.398 -0.203 20 0 HBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000685729654 1068927279 /nfs/dbraw/zinc/92/72/79/1068927279.db2.gz JUJNGYBNTZXNNA-QGZVFWFLSA-N 1 0 402.398 -0.203 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000685732099 1068927885 /nfs/dbraw/zinc/92/78/85/1068927885.db2.gz UXZPESLSGRPUBL-KRWDZBQOSA-N 1 0 400.382 -0.449 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000685732100 1068927829 /nfs/dbraw/zinc/92/78/29/1068927829.db2.gz UXZPESLSGRPUBL-QGZVFWFLSA-N 1 0 400.382 -0.449 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742522 1068929198 /nfs/dbraw/zinc/92/91/98/1068929198.db2.gz GOWQCVKJMDUKRA-HNNXBMFYSA-N 1 0 415.516 -0.908 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742523 1068929090 /nfs/dbraw/zinc/92/90/90/1068929090.db2.gz GOWQCVKJMDUKRA-OAHLLOKOSA-N 1 0 415.516 -0.908 20 0 HBADRO O=C(CNS(=O)(=O)c1ccccc1F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742535 1068929167 /nfs/dbraw/zinc/92/91/67/1068929167.db2.gz KMBJRCLMSPQTDY-HNNXBMFYSA-N 1 0 414.503 -0.373 20 0 HBADRO O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742536 1068929234 /nfs/dbraw/zinc/92/92/34/1068929234.db2.gz KMBJRCLMSPQTDY-OAHLLOKOSA-N 1 0 414.503 -0.373 20 0 HBADRO Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000685742584 1068929270 /nfs/dbraw/zinc/92/92/70/1068929270.db2.gz RMNHCSMRUCRDFM-KRWDZBQOSA-N 1 0 410.540 -0.204 20 0 HBADRO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000685742585 1068929004 /nfs/dbraw/zinc/92/90/04/1068929004.db2.gz RMNHCSMRUCRDFM-QGZVFWFLSA-N 1 0 410.540 -0.204 20 0 HBADRO O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742667 1068929112 /nfs/dbraw/zinc/92/91/12/1068929112.db2.gz ZOQRVNTWVPREQM-INIZCTEOSA-N 1 0 414.503 -0.373 20 0 HBADRO O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000685742668 1068929034 /nfs/dbraw/zinc/92/90/34/1068929034.db2.gz ZOQRVNTWVPREQM-MRXNPFEDSA-N 1 0 414.503 -0.373 20 0 HBADRO CN(C)c1cccnc1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000685763794 1068935142 /nfs/dbraw/zinc/93/51/42/1068935142.db2.gz PROAKRNUNKQNIK-UHFFFAOYSA-N 1 0 401.471 -0.069 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000685772128 1068941999 /nfs/dbraw/zinc/94/19/99/1068941999.db2.gz ZDWYVLNJGCGGSK-UHFFFAOYSA-N 1 0 421.483 -0.454 20 0 HBADRO Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c(OCC[NH+](C)C)c1 ZINC000685780535 1068947845 /nfs/dbraw/zinc/94/78/45/1068947845.db2.gz DWHHRDFSFPPWPH-UHFFFAOYSA-N 1 0 400.501 -0.118 20 0 HBADRO CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000685780538 1068947877 /nfs/dbraw/zinc/94/78/77/1068947877.db2.gz GGXKYNSNJKCHDK-UHFFFAOYSA-N 1 0 400.501 -0.037 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000685830412 1068970292 /nfs/dbraw/zinc/97/02/92/1068970292.db2.gz QOUOOQMGMPLECC-UHFFFAOYSA-N 1 0 412.512 -0.162 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1OC ZINC000685830444 1068970355 /nfs/dbraw/zinc/97/03/55/1068970355.db2.gz YNNQMHHNFGHYKU-UHFFFAOYSA-N 1 0 415.512 -0.103 20 0 HBADRO Cn1c(C(=O)NCc2ccncc2OCC[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000685860578 1068988945 /nfs/dbraw/zinc/98/89/45/1068988945.db2.gz CBWUMCAGANURBF-UHFFFAOYSA-N 1 0 414.466 -0.159 20 0 HBADRO CN(CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CC[NH+](C)C ZINC000685861796 1068989722 /nfs/dbraw/zinc/98/97/22/1068989722.db2.gz CANMGCIIAXOPHB-UHFFFAOYSA-N 1 0 407.500 -0.289 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000685929017 1069014062 /nfs/dbraw/zinc/01/40/62/1069014062.db2.gz OKKFGFXHOJBBLX-UHFFFAOYSA-N 1 0 418.608 -0.072 20 0 HBADRO COCC[N@H+](C)CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000727033861 1069725147 /nfs/dbraw/zinc/72/51/47/1069725147.db2.gz YJQAIQNZIZMBKC-UHFFFAOYSA-N 1 0 401.508 -0.057 20 0 HBADRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000727058540 1069725879 /nfs/dbraw/zinc/72/58/79/1069725879.db2.gz QCJOSOJSOYZSCS-AWEZNQCLSA-N 1 0 415.512 -0.103 20 0 HBADRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000727058542 1069725978 /nfs/dbraw/zinc/72/59/78/1069725978.db2.gz QCJOSOJSOYZSCS-CQSZACIVSA-N 1 0 415.512 -0.103 20 0 HBADRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000727059443 1069725846 /nfs/dbraw/zinc/72/58/46/1069725846.db2.gz YUSQGUIULAQAME-AWEZNQCLSA-N 1 0 415.512 -0.103 20 0 HBADRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000727059445 1069725940 /nfs/dbraw/zinc/72/59/40/1069725940.db2.gz YUSQGUIULAQAME-CQSZACIVSA-N 1 0 415.512 -0.103 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000727072742 1069725925 /nfs/dbraw/zinc/72/59/25/1069725925.db2.gz YAGSOEJMNCHSDK-UHFFFAOYSA-N 1 0 407.606 -0.357 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000727075724 1069727091 /nfs/dbraw/zinc/72/70/91/1069727091.db2.gz RLLNMHGFSHCEGH-UHFFFAOYSA-N 1 0 420.649 -0.442 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727076038 1069727015 /nfs/dbraw/zinc/72/70/15/1069727015.db2.gz BDYVHXQABVFCRM-UHFFFAOYSA-N 1 0 421.633 -0.030 20 0 HBADRO CS(=O)(=O)NCCNC(=S)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000727077024 1069727392 /nfs/dbraw/zinc/72/73/92/1069727392.db2.gz MRRVKQPGSQLOIK-UHFFFAOYSA-N 1 0 419.617 -0.276 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=S)NCCNS(C)(=O)=O)cn2)CC1 ZINC000727077049 1069727242 /nfs/dbraw/zinc/72/72/42/1069727242.db2.gz NBJYPKCMMPQBMV-UHFFFAOYSA-N 1 0 400.574 -0.263 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(CNC(=S)NCCNS(C)(=O)=O)cn2)CC1 ZINC000727078380 1069727454 /nfs/dbraw/zinc/72/74/54/1069727454.db2.gz WNVZEMMNHWZTTR-UHFFFAOYSA-N 1 0 400.574 -0.263 20 0 HBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=S)NCCNS(C)(=O)=O)cc21 ZINC000727084033 1069728025 /nfs/dbraw/zinc/72/80/25/1069728025.db2.gz OPJXNSMXFAJVBG-UHFFFAOYSA-N 1 0 401.514 -0.008 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727085752 1069728159 /nfs/dbraw/zinc/72/81/59/1069728159.db2.gz VMXCMDBPLMPNOA-UHFFFAOYSA-N 1 0 421.633 -0.174 20 0 HBADRO CS(=O)(=O)NCCNC(=S)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000727086320 1069728705 /nfs/dbraw/zinc/72/87/05/1069728705.db2.gz YWLZILHAQOEVOA-UHFFFAOYSA-N 1 0 406.496 -0.003 20 0 HBADRO COCC[N@H+](C)CCCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727102328 1069728445 /nfs/dbraw/zinc/72/84/45/1069728445.db2.gz LXUZHILJUPKRII-UHFFFAOYSA-N 1 0 415.292 -0.023 20 0 HBADRO Cn1nc(Br)c2c1ncn(CC(=O)NCCNc1cc[nH+]cc1)c2=O ZINC000727164715 1069731102 /nfs/dbraw/zinc/73/11/02/1069731102.db2.gz SJJCDSJTWQIMEU-UHFFFAOYSA-N 1 0 406.244 -0.062 20 0 HBADRO COCC[N@H+](C)CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727171564 1069731445 /nfs/dbraw/zinc/73/14/45/1069731445.db2.gz XJTXIPMJSBZHPN-UHFFFAOYSA-N 1 0 401.265 -0.413 20 0 HBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=S)NCCNS(C)(=O)=O)c1 ZINC000727285453 1069733906 /nfs/dbraw/zinc/73/39/06/1069733906.db2.gz VXBUDOIPEDIKLP-UHFFFAOYSA-N 1 0 401.558 -0.509 20 0 HBADRO Cn1cc(/C=C/C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000727401546 1069735140 /nfs/dbraw/zinc/73/51/40/1069735140.db2.gz OSRNDHVNYRSJOU-CMDGGOBGSA-N 1 0 413.478 -0.295 20 0 HBADRO Cn1cc(/C=C\C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000727401548 1069735075 /nfs/dbraw/zinc/73/50/75/1069735075.db2.gz OSRNDHVNYRSJOU-HJWRWDBZSA-N 1 0 413.478 -0.295 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000727474346 1069735203 /nfs/dbraw/zinc/73/52/03/1069735203.db2.gz UEODLJIFOQTHJM-UHFFFAOYSA-N 1 0 413.486 -0.199 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000727859899 1069743286 /nfs/dbraw/zinc/74/32/86/1069743286.db2.gz HXSQXHCVTOZSNS-KBPBESRZSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000727859900 1069743483 /nfs/dbraw/zinc/74/34/83/1069743483.db2.gz HXSQXHCVTOZSNS-KGLIPLIRSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000727859901 1069743142 /nfs/dbraw/zinc/74/31/42/1069743142.db2.gz HXSQXHCVTOZSNS-UONOGXRCSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000727859902 1069742950 /nfs/dbraw/zinc/74/29/50/1069742950.db2.gz HXSQXHCVTOZSNS-ZIAGYGMSSA-N 1 0 400.501 -0.621 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NNC(=S)NCC[NH+](C)C)cc2)CC1 ZINC000727979072 1069744563 /nfs/dbraw/zinc/74/45/63/1069744563.db2.gz HELLFAMQMIWZJF-UHFFFAOYSA-N 1 0 400.574 -0.025 20 0 HBADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1=O ZINC000728077927 1069747886 /nfs/dbraw/zinc/74/78/86/1069747886.db2.gz RDEDAQWXSCHQHT-HNNXBMFYSA-N 1 0 415.494 -0.113 20 0 HBADRO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1=O ZINC000728077928 1069748202 /nfs/dbraw/zinc/74/82/02/1069748202.db2.gz RDEDAQWXSCHQHT-OAHLLOKOSA-N 1 0 415.494 -0.113 20 0 HBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000728142376 1069748624 /nfs/dbraw/zinc/74/86/24/1069748624.db2.gz MGDQVZKXHQLVKT-UHFFFAOYSA-N 1 0 412.512 -0.493 20 0 HBADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000728202469 1068247122 /nfs/dbraw/zinc/24/71/22/1068247122.db2.gz CESWGZPUAQNCGX-UHFFFAOYSA-N 1 0 400.476 -0.030 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000728202555 1068246561 /nfs/dbraw/zinc/24/65/61/1068246561.db2.gz FPHPZHVHQDOXGF-UHFFFAOYSA-N 1 0 400.476 -0.078 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000728551463 1068766731 /nfs/dbraw/zinc/76/67/31/1068766731.db2.gz FAZSYXGIIDKTLK-UHFFFAOYSA-N 1 0 407.496 -0.749 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)=NN1c1ccccc1 ZINC000728551531 1068766879 /nfs/dbraw/zinc/76/68/79/1068766879.db2.gz HMVUGLCIACHPTQ-GOSISDBHSA-N 1 0 412.494 -0.127 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)=NN1c1ccccc1 ZINC000728551533 1068766916 /nfs/dbraw/zinc/76/69/16/1068766916.db2.gz HMVUGLCIACHPTQ-SFHVURJKSA-N 1 0 412.494 -0.127 20 0 HBADRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728551784 1068766189 /nfs/dbraw/zinc/76/61/89/1068766189.db2.gz OERHPVBCAGAMNS-UHFFFAOYSA-N 1 0 420.491 -0.402 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000728551799 1068766213 /nfs/dbraw/zinc/76/62/13/1068766213.db2.gz PXOYTGCYZJDRMD-UHFFFAOYSA-N 1 0 407.496 -0.749 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000728576422 1068823374 /nfs/dbraw/zinc/82/33/74/1068823374.db2.gz RVISZBSZCNGZDX-KRWDZBQOSA-N 1 0 409.531 -0.084 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000728576426 1068824549 /nfs/dbraw/zinc/82/45/49/1068824549.db2.gz RVISZBSZCNGZDX-QGZVFWFLSA-N 1 0 409.531 -0.084 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000728592037 1068875646 /nfs/dbraw/zinc/87/56/46/1068875646.db2.gz RPLJYWFUKCZKPZ-UHFFFAOYSA-N 1 0 417.532 -0.755 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000728687288 1069030565 /nfs/dbraw/zinc/03/05/65/1069030565.db2.gz XRZXWKTUUQBFAW-UHFFFAOYSA-N 1 0 409.531 -0.037 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000728756316 1069086437 /nfs/dbraw/zinc/08/64/37/1069086437.db2.gz FYSDULLRWCJFRX-UHFFFAOYSA-N 1 0 412.454 -0.633 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000728758573 1069087385 /nfs/dbraw/zinc/08/73/85/1069087385.db2.gz VQFWORQZBRJQBV-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000728758674 1069089088 /nfs/dbraw/zinc/08/90/88/1069089088.db2.gz XTYNIJHAZZMREX-UHFFFAOYSA-N 1 0 411.466 -0.028 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000728880812 1069252063 /nfs/dbraw/zinc/25/20/63/1069252063.db2.gz GWKBDGXHWKNRJE-UHFFFAOYSA-N 1 0 409.512 -0.503 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000728880837 1069255781 /nfs/dbraw/zinc/25/57/81/1069255781.db2.gz ISDDZBPOQOMCLC-UHFFFAOYSA-N 1 0 409.512 -0.503 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000728880949 1069255666 /nfs/dbraw/zinc/25/56/66/1069255666.db2.gz MJXGBUVGNHRIIL-UHFFFAOYSA-N 1 0 422.507 -0.156 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(Cn2nc(C(=O)OC)c3c(C)onc3c2=O)CC1 ZINC000728905620 1069290273 /nfs/dbraw/zinc/29/02/73/1069290273.db2.gz QJYOTNHQUCKQSN-UHFFFAOYSA-N 1 0 420.470 -0.077 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000728934878 1069379298 /nfs/dbraw/zinc/37/92/98/1069379298.db2.gz XONFHCQTRXHIGT-UHFFFAOYSA-N 1 0 419.548 -0.509 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000728947949 1069460275 /nfs/dbraw/zinc/46/02/75/1069460275.db2.gz HHCNPIZVTKGKPP-UHFFFAOYSA-N 1 0 418.608 -0.072 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000729056873 1069484283 /nfs/dbraw/zinc/48/42/83/1069484283.db2.gz IUCKHSBXOIBAJH-HNNXBMFYSA-N 1 0 405.499 -0.014 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000729056874 1069484245 /nfs/dbraw/zinc/48/42/45/1069484245.db2.gz IUCKHSBXOIBAJH-OAHLLOKOSA-N 1 0 405.499 -0.014 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000729058326 1069484763 /nfs/dbraw/zinc/48/47/63/1069484763.db2.gz LROLLAZUBFCSST-UHFFFAOYSA-N 1 0 405.499 -0.012 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000729067644 1069484772 /nfs/dbraw/zinc/48/47/72/1069484772.db2.gz WHPUVLZIFVSFPF-UHFFFAOYSA-N 1 0 414.470 -0.387 20 0 HBADRO CS(=O)(=O)NCCNC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729159675 1069488918 /nfs/dbraw/zinc/48/89/18/1069488918.db2.gz BZYLQPYWAIGHRM-UHFFFAOYSA-N 1 0 415.589 -0.608 20 0 HBADRO CS(=O)(=O)CCNC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729160583 1069488855 /nfs/dbraw/zinc/48/88/55/1069488855.db2.gz WQYRUBKEXUIGHC-UHFFFAOYSA-N 1 0 400.574 -0.113 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1 ZINC000729227990 1069490890 /nfs/dbraw/zinc/49/08/90/1069490890.db2.gz XFDQIAHMIYLQSZ-UHFFFAOYSA-N 1 0 413.500 -0.416 20 0 HBADRO O=C(CCCC[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000729321633 1069495987 /nfs/dbraw/zinc/49/59/87/1069495987.db2.gz IZEIEBNFJBHBGU-INIZCTEOSA-N 1 0 421.585 -0.086 20 0 HBADRO O=C(CCCC[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000729321634 1069496494 /nfs/dbraw/zinc/49/64/94/1069496494.db2.gz IZEIEBNFJBHBGU-MRXNPFEDSA-N 1 0 421.585 -0.086 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000729322328 1069496420 /nfs/dbraw/zinc/49/64/20/1069496420.db2.gz WQCPBMVBYKQJGZ-CABCVRRESA-N 1 0 407.558 -0.478 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000729322329 1069496550 /nfs/dbraw/zinc/49/65/50/1069496550.db2.gz WQCPBMVBYKQJGZ-GJZGRUSLSA-N 1 0 407.558 -0.478 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000729322330 1069496529 /nfs/dbraw/zinc/49/65/29/1069496529.db2.gz WQCPBMVBYKQJGZ-HUUCEWRRSA-N 1 0 407.558 -0.478 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000729322331 1069496456 /nfs/dbraw/zinc/49/64/56/1069496456.db2.gz WQCPBMVBYKQJGZ-LSDHHAIUSA-N 1 0 407.558 -0.478 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000729364086 1069500156 /nfs/dbraw/zinc/50/01/56/1069500156.db2.gz XYXSCXSTCWCUDI-CYBMUJFWSA-N 1 0 408.480 -0.465 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000729364087 1069500108 /nfs/dbraw/zinc/50/01/08/1069500108.db2.gz XYXSCXSTCWCUDI-ZDUSSCGKSA-N 1 0 408.480 -0.465 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000729364374 1069500060 /nfs/dbraw/zinc/50/00/60/1069500060.db2.gz SRPIIMSZPDOFRK-HNNXBMFYSA-N 1 0 422.507 -0.110 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000729364375 1069500193 /nfs/dbraw/zinc/50/01/93/1069500193.db2.gz SRPIIMSZPDOFRK-OAHLLOKOSA-N 1 0 422.507 -0.110 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729436541 1070375339 /nfs/dbraw/zinc/37/53/39/1070375339.db2.gz DNQMPRJKOPHWGK-HNNXBMFYSA-N 1 0 416.544 -0.031 20 0 HBADRO CC[NH+](CC)CCN(CCOC)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729436542 1070375499 /nfs/dbraw/zinc/37/54/99/1070375499.db2.gz DNQMPRJKOPHWGK-OAHLLOKOSA-N 1 0 416.544 -0.031 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000729439794 1070376691 /nfs/dbraw/zinc/37/66/91/1070376691.db2.gz XWNOPZRIYQCBEO-UHFFFAOYSA-N 1 0 415.292 -0.071 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729496883 1070651911 /nfs/dbraw/zinc/65/19/11/1070651911.db2.gz DWGXAMHPLOBJHM-MSOLQXFVSA-N 1 0 415.494 -0.079 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729496886 1070651799 /nfs/dbraw/zinc/65/17/99/1070651799.db2.gz DWGXAMHPLOBJHM-QZTJIDSGSA-N 1 0 415.494 -0.079 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729496889 1070651954 /nfs/dbraw/zinc/65/19/54/1070651954.db2.gz DWGXAMHPLOBJHM-ROUUACIJSA-N 1 0 415.494 -0.079 20 0 HBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729496892 1070651842 /nfs/dbraw/zinc/65/18/42/1070651842.db2.gz DWGXAMHPLOBJHM-ZWKOTPCHSA-N 1 0 415.494 -0.079 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729506734 1070671926 /nfs/dbraw/zinc/67/19/26/1070671926.db2.gz PTQIDMVMIRTYMO-CVEARBPZSA-N 1 0 403.549 -0.237 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729506736 1070671563 /nfs/dbraw/zinc/67/15/63/1070671563.db2.gz PTQIDMVMIRTYMO-HOTGVXAUSA-N 1 0 403.549 -0.237 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729506738 1070671754 /nfs/dbraw/zinc/67/17/54/1070671754.db2.gz PTQIDMVMIRTYMO-HZPDHXFCSA-N 1 0 403.549 -0.237 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729506740 1070671845 /nfs/dbraw/zinc/67/18/45/1070671845.db2.gz PTQIDMVMIRTYMO-JKSUJKDBSA-N 1 0 403.549 -0.237 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729507147 1070671600 /nfs/dbraw/zinc/67/16/00/1070671600.db2.gz XNIGMNUCSCUAJI-BZSNNMDCSA-N 1 0 411.547 -0.282 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729507148 1070671893 /nfs/dbraw/zinc/67/18/93/1070671893.db2.gz XNIGMNUCSCUAJI-KSZLIROESA-N 1 0 411.547 -0.282 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729507149 1070671707 /nfs/dbraw/zinc/67/17/07/1070671707.db2.gz XNIGMNUCSCUAJI-OKZBNKHCSA-N 1 0 411.547 -0.282 20 0 HBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729507150 1070671780 /nfs/dbraw/zinc/67/17/80/1070671780.db2.gz XNIGMNUCSCUAJI-RCCFBDPRSA-N 1 0 411.547 -0.282 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC000729518477 1070691762 /nfs/dbraw/zinc/69/17/62/1070691762.db2.gz NRIYXSMNCMVWQK-MSOLQXFVSA-N 1 0 418.494 -0.009 20 0 HBADRO O=C(CCn1cc[nH]c(=O)c1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729535675 1071023827 /nfs/dbraw/zinc/02/38/27/1071023827.db2.gz AZBZCXVTUXHICS-UHFFFAOYSA-N 1 0 401.471 -0.565 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000729604943 1069183178 /nfs/dbraw/zinc/18/31/78/1069183178.db2.gz DKYVTLSUPWXKPV-UHFFFAOYSA-N 1 0 405.565 -0.684 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729604944 1069183163 /nfs/dbraw/zinc/18/31/63/1069183163.db2.gz DPZKJGGOXLOYMK-UHFFFAOYSA-N 1 0 404.533 -0.407 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729606261 1069183752 /nfs/dbraw/zinc/18/37/52/1069183752.db2.gz OGMVKIPAVHWKSS-UHFFFAOYSA-N 1 0 418.560 -0.208 20 0 HBADRO O=C(CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000729611360 1069205294 /nfs/dbraw/zinc/20/52/94/1069205294.db2.gz OXKUPYTVDPONPT-DLBZAZTESA-N 1 0 417.514 -0.322 20 0 HBADRO O=C(CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000729611364 1069205441 /nfs/dbraw/zinc/20/54/41/1069205441.db2.gz OXKUPYTVDPONPT-IAGOWNOFSA-N 1 0 417.514 -0.322 20 0 HBADRO O=C(CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000729611367 1069205390 /nfs/dbraw/zinc/20/53/90/1069205390.db2.gz OXKUPYTVDPONPT-IRXDYDNUSA-N 1 0 417.514 -0.322 20 0 HBADRO O=C(CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000729611370 1069205406 /nfs/dbraw/zinc/20/54/06/1069205406.db2.gz OXKUPYTVDPONPT-SJORKVTESA-N 1 0 417.514 -0.322 20 0 HBADRO COc1cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000729683228 1069230273 /nfs/dbraw/zinc/23/02/73/1069230273.db2.gz HWHVYZUMLOOTBZ-UHFFFAOYSA-N 1 0 417.484 -0.681 20 0 HBADRO COc1cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc(Cl)c1OCC(N)=O ZINC000729683247 1069230446 /nfs/dbraw/zinc/23/04/46/1069230446.db2.gz JHLQXGVTRGHEDO-UHFFFAOYSA-N 1 0 421.903 -0.036 20 0 HBADRO CCNC(=O)COc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1OC ZINC000729684155 1069231606 /nfs/dbraw/zinc/23/16/06/1069231606.db2.gz MJTDOPLTSRGEOJ-UHFFFAOYSA-N 1 0 415.512 -0.038 20 0 HBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000729880983 1069721251 /nfs/dbraw/zinc/72/12/51/1069721251.db2.gz SUYAQEYPFODZQH-UHFFFAOYSA-N 1 0 416.500 -0.156 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCOCC2)CC1=O ZINC000729921272 1069752577 /nfs/dbraw/zinc/75/25/77/1069752577.db2.gz VURGKHKVUAPNCP-CVEARBPZSA-N 1 0 416.544 -0.903 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)CC1=O ZINC000729921274 1069752834 /nfs/dbraw/zinc/75/28/34/1069752834.db2.gz VURGKHKVUAPNCP-HOTGVXAUSA-N 1 0 416.544 -0.903 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCOCC2)CC1=O ZINC000729921276 1069752660 /nfs/dbraw/zinc/75/26/60/1069752660.db2.gz VURGKHKVUAPNCP-HZPDHXFCSA-N 1 0 416.544 -0.903 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)CC1=O ZINC000729921278 1069752605 /nfs/dbraw/zinc/75/26/05/1069752605.db2.gz VURGKHKVUAPNCP-JKSUJKDBSA-N 1 0 416.544 -0.903 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000729983106 1069754799 /nfs/dbraw/zinc/75/47/99/1069754799.db2.gz LOSYXSANGCLXGC-KBPBESRZSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000729983108 1069754900 /nfs/dbraw/zinc/75/49/00/1069754900.db2.gz LOSYXSANGCLXGC-KGLIPLIRSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000729983109 1069754655 /nfs/dbraw/zinc/75/46/55/1069754655.db2.gz LOSYXSANGCLXGC-UONOGXRCSA-N 1 0 400.501 -0.621 20 0 HBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000729983110 1069755548 /nfs/dbraw/zinc/75/55/48/1069755548.db2.gz LOSYXSANGCLXGC-ZIAGYGMSSA-N 1 0 400.501 -0.621 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730086711 1069757755 /nfs/dbraw/zinc/75/77/55/1069757755.db2.gz PLALMRVTJKTEIC-BMFZPTHFSA-N 1 0 412.512 -0.791 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730086712 1069757531 /nfs/dbraw/zinc/75/75/31/1069757531.db2.gz PLALMRVTJKTEIC-FVQBIDKESA-N 1 0 412.512 -0.791 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730086713 1069757934 /nfs/dbraw/zinc/75/79/34/1069757934.db2.gz PLALMRVTJKTEIC-KBMXLJTQSA-N 1 0 412.512 -0.791 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730086714 1069757908 /nfs/dbraw/zinc/75/79/08/1069757908.db2.gz PLALMRVTJKTEIC-VNQPRFMTSA-N 1 0 412.512 -0.791 20 0 HBADRO Cn1cc(/C=C\C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000730093020 1069757887 /nfs/dbraw/zinc/75/78/87/1069757887.db2.gz VPXUCUXVMMYLHY-KTKRTIGZSA-N 1 0 413.478 -0.295 20 0 HBADRO Cn1cc(/C=C/C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000730093021 1069757624 /nfs/dbraw/zinc/75/76/24/1069757624.db2.gz VPXUCUXVMMYLHY-MDZDMXLPSA-N 1 0 413.478 -0.295 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000730133859 1069758552 /nfs/dbraw/zinc/75/85/52/1069758552.db2.gz INJAEKNGGMCQJY-INIZCTEOSA-N 1 0 404.581 -0.464 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000730133860 1069758261 /nfs/dbraw/zinc/75/82/61/1069758261.db2.gz INJAEKNGGMCQJY-MRXNPFEDSA-N 1 0 404.581 -0.464 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000730218010 1069759284 /nfs/dbraw/zinc/75/92/84/1069759284.db2.gz BXUMXCQOBBQLJM-HNNXBMFYSA-N 1 0 420.491 -0.228 20 0 HBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000730218011 1069759085 /nfs/dbraw/zinc/75/90/85/1069759085.db2.gz BXUMXCQOBBQLJM-OAHLLOKOSA-N 1 0 420.491 -0.228 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000730227410 1069759133 /nfs/dbraw/zinc/75/91/33/1069759133.db2.gz DSIRHGVUYNDZJV-AWEZNQCLSA-N 1 0 424.523 -0.157 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000730227411 1069759223 /nfs/dbraw/zinc/75/92/23/1069759223.db2.gz DSIRHGVUYNDZJV-CQSZACIVSA-N 1 0 424.523 -0.157 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000730289534 1069760034 /nfs/dbraw/zinc/76/00/34/1069760034.db2.gz BJVUQKFRRBYURO-HKUYNNGSSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000730289535 1069760165 /nfs/dbraw/zinc/76/01/65/1069760165.db2.gz BJVUQKFRRBYURO-IEBWSBKVSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000730289536 1069760105 /nfs/dbraw/zinc/76/01/05/1069760105.db2.gz BJVUQKFRRBYURO-MJGOQNOKSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000730289537 1069759876 /nfs/dbraw/zinc/75/98/76/1069759876.db2.gz BJVUQKFRRBYURO-PKOBYXMFSA-N 1 0 408.543 -0.073 20 0 HBADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730570766 1069765454 /nfs/dbraw/zinc/76/54/54/1069765454.db2.gz LIASABBYEBZEIA-ACLQVGRQSA-N 1 0 406.530 -0.529 20 0 HBADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730570770 1069765049 /nfs/dbraw/zinc/76/50/49/1069765049.db2.gz LIASABBYEBZEIA-QENILXLESA-N 1 0 406.530 -0.529 20 0 HBADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730570771 1069765216 /nfs/dbraw/zinc/76/52/16/1069765216.db2.gz LIASABBYEBZEIA-UGMNDJHYSA-N 1 0 406.530 -0.529 20 0 HBADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730570775 1069765469 /nfs/dbraw/zinc/76/54/69/1069765469.db2.gz LIASABBYEBZEIA-ZBQKXELDSA-N 1 0 406.530 -0.529 20 0 HBADRO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571994 1069765392 /nfs/dbraw/zinc/76/53/92/1069765392.db2.gz ZYAKGFHEPXYKGS-KBPBESRZSA-N 1 0 403.501 -0.051 20 0 HBADRO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571998 1069765088 /nfs/dbraw/zinc/76/50/88/1069765088.db2.gz ZYAKGFHEPXYKGS-KGLIPLIRSA-N 1 0 403.501 -0.051 20 0 HBADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730572000 1069765260 /nfs/dbraw/zinc/76/52/60/1069765260.db2.gz ZYAKGFHEPXYKGS-UONOGXRCSA-N 1 0 403.501 -0.051 20 0 HBADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730572002 1069765179 /nfs/dbraw/zinc/76/51/79/1069765179.db2.gz ZYAKGFHEPXYKGS-ZIAGYGMSSA-N 1 0 403.501 -0.051 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000730785419 1069770226 /nfs/dbraw/zinc/77/02/26/1069770226.db2.gz AIIRDWSZQDTIBF-JTQLQIEISA-N 1 0 413.276 -0.271 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000730785422 1069770360 /nfs/dbraw/zinc/77/03/60/1069770360.db2.gz AIIRDWSZQDTIBF-SNVBAGLBSA-N 1 0 413.276 -0.271 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)cc2S1(=O)=O ZINC000730788442 1069770467 /nfs/dbraw/zinc/77/04/67/1069770467.db2.gz UBCFGUFXDSWPEV-AWEZNQCLSA-N 1 0 411.480 -0.072 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)cc2S1(=O)=O ZINC000730788444 1069770297 /nfs/dbraw/zinc/77/02/97/1069770297.db2.gz UBCFGUFXDSWPEV-CQSZACIVSA-N 1 0 411.480 -0.072 20 0 HBADRO COC1CC[NH+](C(C)(C)CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000730825904 1069771246 /nfs/dbraw/zinc/77/12/46/1069771246.db2.gz FSLSDHPDANZQEM-UHFFFAOYSA-N 1 0 406.549 -0.163 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCn3cc[nH]c(=O)c3=O)c2)C1 ZINC000731053858 1069774010 /nfs/dbraw/zinc/77/40/10/1069774010.db2.gz ZFJSMWBESAKGCI-KRWDZBQOSA-N 1 0 413.478 -0.060 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCn3cc[nH]c(=O)c3=O)c2)C1 ZINC000731053859 1069773896 /nfs/dbraw/zinc/77/38/96/1069773896.db2.gz ZFJSMWBESAKGCI-QGZVFWFLSA-N 1 0 413.478 -0.060 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000731130914 1069775608 /nfs/dbraw/zinc/77/56/08/1069775608.db2.gz WIKCQAWADWHVSD-UHFFFAOYSA-N 1 0 416.482 -0.175 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000731130937 1069775891 /nfs/dbraw/zinc/77/58/91/1069775891.db2.gz XOVFTYBVSNYNCL-UHFFFAOYSA-N 1 0 416.482 -0.175 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000731130982 1069775823 /nfs/dbraw/zinc/77/58/23/1069775823.db2.gz ZPJZSOKFBFKILB-UHFFFAOYSA-N 1 0 402.455 -0.565 20 0 HBADRO CN1CCN(C(=O)CC2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)CC1 ZINC000731354301 1069783704 /nfs/dbraw/zinc/78/37/04/1069783704.db2.gz MBEYCALVHKBXBL-UHFFFAOYSA-N 1 0 420.558 -0.164 20 0 HBADRO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@@H](O)C[NH+]4CCCC4)CC3)cc2N1 ZINC000731360395 1069783578 /nfs/dbraw/zinc/78/35/78/1069783578.db2.gz AAWKUUUAAIRNDB-HNNXBMFYSA-N 1 0 424.523 -0.220 20 0 HBADRO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@H](O)C[NH+]4CCCC4)CC3)cc2N1 ZINC000731360396 1069783654 /nfs/dbraw/zinc/78/36/54/1069783654.db2.gz AAWKUUUAAIRNDB-OAHLLOKOSA-N 1 0 424.523 -0.220 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000731479188 1069785735 /nfs/dbraw/zinc/78/57/35/1069785735.db2.gz PCHYZIRPFGGCHR-UHFFFAOYSA-N 1 0 409.512 -0.457 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000731480112 1069785690 /nfs/dbraw/zinc/78/56/90/1069785690.db2.gz AOHBQFXOFSIUDT-UHFFFAOYSA-N 1 0 422.507 -0.110 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000731481268 1069785678 /nfs/dbraw/zinc/78/56/78/1069785678.db2.gz RKMNSSORVIPDPF-UHFFFAOYSA-N 1 0 409.512 -0.457 20 0 HBADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000731677698 1069793015 /nfs/dbraw/zinc/79/30/15/1069793015.db2.gz KCJPIKZXEYBBQV-UHFFFAOYSA-N 1 0 415.512 -0.038 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000731684012 1069793728 /nfs/dbraw/zinc/79/37/28/1069793728.db2.gz NUSSGSVUKWILOC-UHFFFAOYSA-N 1 0 413.548 -0.383 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000731729511 1069797417 /nfs/dbraw/zinc/79/74/17/1069797417.db2.gz AEMXGDGMRSNZNO-AWEZNQCLSA-N 1 0 407.533 -0.280 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000731729512 1069797312 /nfs/dbraw/zinc/79/73/12/1069797312.db2.gz AEMXGDGMRSNZNO-CQSZACIVSA-N 1 0 407.533 -0.280 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000731760103 1069799933 /nfs/dbraw/zinc/79/99/33/1069799933.db2.gz VMFXUPIVSHNKLJ-UHFFFAOYSA-N 1 0 417.576 -0.051 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000731760908 1069799514 /nfs/dbraw/zinc/79/95/14/1069799514.db2.gz HNCJWXAUDYRJQG-DLBZAZTESA-N 1 0 402.561 -0.264 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000731760909 1069799772 /nfs/dbraw/zinc/79/97/72/1069799772.db2.gz HNCJWXAUDYRJQG-IAGOWNOFSA-N 1 0 402.561 -0.264 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000731760910 1069799700 /nfs/dbraw/zinc/79/97/00/1069799700.db2.gz HNCJWXAUDYRJQG-IRXDYDNUSA-N 1 0 402.561 -0.264 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000731760911 1069799548 /nfs/dbraw/zinc/79/95/48/1069799548.db2.gz HNCJWXAUDYRJQG-SJORKVTESA-N 1 0 402.561 -0.264 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000731763741 1069800525 /nfs/dbraw/zinc/80/05/25/1069800525.db2.gz AFHYSGBLXIRFKB-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000731763832 1069802258 /nfs/dbraw/zinc/80/22/58/1069802258.db2.gz WADPMJOMYNZWIG-UHFFFAOYSA-N 1 0 411.528 -0.572 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000731764190 1069801049 /nfs/dbraw/zinc/80/10/49/1069801049.db2.gz ODIIFHKDTVKPJW-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000731765902 1069798237 /nfs/dbraw/zinc/79/82/37/1069798237.db2.gz QPNOGEXMOAUWPJ-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(CO)CCOCC3)C2=O)cc1 ZINC000731846308 1069803707 /nfs/dbraw/zinc/80/37/07/1069803707.db2.gz FBXUQAGYZSNMMT-GOSISDBHSA-N 1 0 406.439 -0.376 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(CO)CCOCC3)C2=O)cc1 ZINC000731846319 1069803395 /nfs/dbraw/zinc/80/33/95/1069803395.db2.gz FBXUQAGYZSNMMT-SFHVURJKSA-N 1 0 406.439 -0.376 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2=O)cc1 ZINC000731872644 1069809209 /nfs/dbraw/zinc/80/92/09/1069809209.db2.gz DBERJEUMQKWWGD-FOIQADDNSA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[N@H+](C)CCN3C)C2=O)cc1 ZINC000731872646 1069809459 /nfs/dbraw/zinc/80/94/59/1069809459.db2.gz DBERJEUMQKWWGD-MGPUTAFESA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2=O)cc1 ZINC000731872648 1069809558 /nfs/dbraw/zinc/80/95/58/1069809558.db2.gz DBERJEUMQKWWGD-QRWLVFNGSA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[N@H+](C)CCN3C)C2=O)cc1 ZINC000731872651 1069809653 /nfs/dbraw/zinc/80/96/53/1069809653.db2.gz DBERJEUMQKWWGD-YWZLYKJASA-N 1 0 403.483 -0.176 20 0 HBADRO Cc1c(C(=O)N2CCN(S(N)(=O)=O)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000732066318 1069814678 /nfs/dbraw/zinc/81/46/78/1069814678.db2.gz NGECDMPXPQYYRT-UHFFFAOYSA-N 1 0 419.511 -0.475 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)CC1 ZINC000732107463 1069819996 /nfs/dbraw/zinc/81/99/96/1069819996.db2.gz UOABQAOBXDXXCY-UHFFFAOYSA-N 1 0 407.540 -0.030 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732149519 1069821975 /nfs/dbraw/zinc/82/19/75/1069821975.db2.gz KPICQQKMDOJKLU-AWEZNQCLSA-N 1 0 414.503 -0.178 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732149520 1069822502 /nfs/dbraw/zinc/82/25/02/1069822502.db2.gz KPICQQKMDOJKLU-CQSZACIVSA-N 1 0 414.503 -0.178 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2S1(=O)=O ZINC000732149869 1069822368 /nfs/dbraw/zinc/82/23/68/1069822368.db2.gz SHAZRXNESMGXBJ-AWEZNQCLSA-N 1 0 410.496 -0.547 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2S1(=O)=O ZINC000732149870 1069822280 /nfs/dbraw/zinc/82/22/80/1069822280.db2.gz SHAZRXNESMGXBJ-CQSZACIVSA-N 1 0 410.496 -0.547 20 0 HBADRO COC(=O)CNC(=O)CC[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732198068 1069826151 /nfs/dbraw/zinc/82/61/51/1069826151.db2.gz HAQLPHADJGHDMS-UHFFFAOYSA-N 1 0 400.476 -0.323 20 0 HBADRO CNS(=O)(=O)C1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000732206328 1069824687 /nfs/dbraw/zinc/82/46/87/1069824687.db2.gz VWTHCMCQJQLSPG-UHFFFAOYSA-N 1 0 415.516 -0.324 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732245346 1069825755 /nfs/dbraw/zinc/82/57/55/1069825755.db2.gz ZSIXVCTWFLTLIL-HNNXBMFYSA-N 1 0 412.535 -0.389 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732245347 1069826744 /nfs/dbraw/zinc/82/67/44/1069826744.db2.gz ZSIXVCTWFLTLIL-OAHLLOKOSA-N 1 0 412.535 -0.389 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246384 1069825668 /nfs/dbraw/zinc/82/56/68/1069825668.db2.gz RNZUUFZQSDCXQS-HRCADAONSA-N 1 0 404.533 -0.363 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246386 1069827104 /nfs/dbraw/zinc/82/71/04/1069827104.db2.gz RNZUUFZQSDCXQS-JYJNAYRXSA-N 1 0 404.533 -0.363 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246388 1069826626 /nfs/dbraw/zinc/82/66/26/1069826626.db2.gz RNZUUFZQSDCXQS-OWCLPIDISA-N 1 0 404.533 -0.363 20 0 HBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246390 1069826067 /nfs/dbraw/zinc/82/60/67/1069826067.db2.gz RNZUUFZQSDCXQS-PMPSAXMXSA-N 1 0 404.533 -0.363 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732254112 1069827973 /nfs/dbraw/zinc/82/79/73/1069827973.db2.gz TXVOJYUQBLXLOM-HNNXBMFYSA-N 1 0 420.539 -0.292 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732254113 1069827557 /nfs/dbraw/zinc/82/75/57/1069827557.db2.gz TXVOJYUQBLXLOM-OAHLLOKOSA-N 1 0 420.539 -0.292 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000732348539 1069830118 /nfs/dbraw/zinc/83/01/18/1069830118.db2.gz FXTLCZFVEBMWQK-CHWWFWEZSA-N 1 0 424.498 -0.229 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000732348540 1069829945 /nfs/dbraw/zinc/82/99/45/1069829945.db2.gz FXTLCZFVEBMWQK-RDYUPDBUSA-N 1 0 424.498 -0.229 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CN3CC(=O)NC3=O)cc2)CC1 ZINC000732357171 1069830752 /nfs/dbraw/zinc/83/07/52/1069830752.db2.gz MQNYJOQWNGTOKM-UHFFFAOYSA-N 1 0 403.439 -0.138 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CN3CC(=O)NC3=O)CC2)cc1 ZINC000732357622 1069831801 /nfs/dbraw/zinc/83/18/01/1069831801.db2.gz VHLJBDFZFUYISF-UHFFFAOYSA-N 1 0 418.450 -0.176 20 0 HBADRO CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000732480507 1069836023 /nfs/dbraw/zinc/83/60/23/1069836023.db2.gz MHHNNHVISKFHMW-UHFFFAOYSA-N 1 0 423.539 -0.083 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732484404 1069836314 /nfs/dbraw/zinc/83/63/14/1069836314.db2.gz CCPMJPUHLNZLNY-HNNXBMFYSA-N 1 0 423.539 -0.812 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000732484405 1069836818 /nfs/dbraw/zinc/83/68/18/1069836818.db2.gz CCPMJPUHLNZLNY-OAHLLOKOSA-N 1 0 423.539 -0.812 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000732484862 1069836589 /nfs/dbraw/zinc/83/65/89/1069836589.db2.gz JCPISXCISKBAAG-AWEZNQCLSA-N 1 0 422.917 -0.423 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000732484864 1069836907 /nfs/dbraw/zinc/83/69/07/1069836907.db2.gz JCPISXCISKBAAG-CQSZACIVSA-N 1 0 422.917 -0.423 20 0 HBADRO Cn1c2ncn(CC[N@H+](C)[C@H]3CCN(CC(F)(F)F)C3=O)c2c(=O)n(C)c1=O ZINC000732812474 1069847699 /nfs/dbraw/zinc/84/76/99/1069847699.db2.gz BWAVUXCCXUVIOY-JTQLQIEISA-N 1 0 402.377 -0.471 20 0 HBADRO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCN(CC(F)(F)F)C3=O)c2c(=O)n(C)c1=O ZINC000732812495 1069847330 /nfs/dbraw/zinc/84/73/30/1069847330.db2.gz BWAVUXCCXUVIOY-SNVBAGLBSA-N 1 0 402.377 -0.471 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O)c(=O)n2C ZINC000732815555 1069848405 /nfs/dbraw/zinc/84/84/05/1069848405.db2.gz XHEYORBZDIAHKH-LLVKDONJSA-N 1 0 416.404 -0.081 20 0 HBADRO Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O)c(=O)n2C ZINC000732815556 1069848328 /nfs/dbraw/zinc/84/83/28/1069848328.db2.gz XHEYORBZDIAHKH-NSHDSACASA-N 1 0 416.404 -0.081 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)c(=O)n2C ZINC000733157676 1069860556 /nfs/dbraw/zinc/86/05/56/1069860556.db2.gz CBHMVIXXIXABMP-AWEZNQCLSA-N 1 0 404.471 -0.807 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)c(=O)n2C ZINC000733157677 1069860710 /nfs/dbraw/zinc/86/07/10/1069860710.db2.gz CBHMVIXXIXABMP-CQSZACIVSA-N 1 0 404.471 -0.807 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000733158286 1069860683 /nfs/dbraw/zinc/86/06/83/1069860683.db2.gz MBQURDGZUMYGIW-AWEZNQCLSA-N 1 0 404.471 -0.807 20 0 HBADRO Cn1c2ncn(CC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000733158287 1069861075 /nfs/dbraw/zinc/86/10/75/1069861075.db2.gz MBQURDGZUMYGIW-CQSZACIVSA-N 1 0 404.471 -0.807 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000733159961 1069860490 /nfs/dbraw/zinc/86/04/90/1069860490.db2.gz MDKZYIUYOOHROV-AWEZNQCLSA-N 1 0 403.483 -0.051 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000733159962 1069861595 /nfs/dbraw/zinc/86/15/95/1069861595.db2.gz MDKZYIUYOOHROV-CQSZACIVSA-N 1 0 403.483 -0.051 20 0 HBADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 ZINC000733162706 1069861717 /nfs/dbraw/zinc/86/17/17/1069861717.db2.gz SAYSUCCDLIFMOP-UHFFFAOYSA-N 1 0 424.523 -0.155 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000733167300 1069861790 /nfs/dbraw/zinc/86/17/90/1069861790.db2.gz ASPZZXPDRPVQDM-UHFFFAOYSA-N 1 0 409.512 -0.600 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000733167448 1069861434 /nfs/dbraw/zinc/86/14/34/1069861434.db2.gz DCIOCECHCBPLSY-UHFFFAOYSA-N 1 0 422.507 -0.253 20 0 HBADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000733307793 1069864586 /nfs/dbraw/zinc/86/45/86/1069864586.db2.gz VMLRWWPDQYAWTH-GHMZBOCLSA-N 1 0 413.500 -0.826 20 0 HBADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000733307794 1069864453 /nfs/dbraw/zinc/86/44/53/1069864453.db2.gz VMLRWWPDQYAWTH-MNOVXSKESA-N 1 0 413.500 -0.826 20 0 HBADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000733307795 1069864932 /nfs/dbraw/zinc/86/49/32/1069864932.db2.gz VMLRWWPDQYAWTH-QWRGUYRKSA-N 1 0 413.500 -0.826 20 0 HBADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000733307796 1069864707 /nfs/dbraw/zinc/86/47/07/1069864707.db2.gz VMLRWWPDQYAWTH-WDEREUQCSA-N 1 0 413.500 -0.826 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733311470 1069865412 /nfs/dbraw/zinc/86/54/12/1069865412.db2.gz RNWKFSZNEOZFMF-CYBMUJFWSA-N 1 0 415.516 -0.324 20 0 HBADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733311472 1069865228 /nfs/dbraw/zinc/86/52/28/1069865228.db2.gz RNWKFSZNEOZFMF-ZDUSSCGKSA-N 1 0 415.516 -0.324 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000733330820 1069866776 /nfs/dbraw/zinc/86/67/76/1069866776.db2.gz OVAYSFSUMGCUBR-UHFFFAOYSA-N 1 0 409.487 -0.309 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733456247 1069868895 /nfs/dbraw/zinc/86/88/95/1069868895.db2.gz KDKNSADSNZDQJK-UHFFFAOYSA-N 1 0 422.507 -0.031 20 0 HBADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000733546659 1069876711 /nfs/dbraw/zinc/87/67/11/1069876711.db2.gz JKMGHNNAJOFYSF-HNNXBMFYSA-N 1 0 419.482 -0.110 20 0 HBADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000733546660 1069877616 /nfs/dbraw/zinc/87/76/16/1069877616.db2.gz JKMGHNNAJOFYSF-OAHLLOKOSA-N 1 0 419.482 -0.110 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000733564422 1069873359 /nfs/dbraw/zinc/87/33/59/1069873359.db2.gz KYUUKTJADDYCPI-UHFFFAOYSA-N 1 0 416.434 -0.138 20 0 HBADRO C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000733571204 1069875924 /nfs/dbraw/zinc/87/59/24/1069875924.db2.gz NVHAZOQGKDVEHE-DZGCQCFKSA-N 1 0 416.434 -0.271 20 0 HBADRO C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000733571205 1069876207 /nfs/dbraw/zinc/87/62/07/1069876207.db2.gz NVHAZOQGKDVEHE-HIFRSBDPSA-N 1 0 416.434 -0.271 20 0 HBADRO C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000733571206 1069876762 /nfs/dbraw/zinc/87/67/62/1069876762.db2.gz NVHAZOQGKDVEHE-UKRRQHHQSA-N 1 0 416.434 -0.271 20 0 HBADRO C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000733571207 1069877061 /nfs/dbraw/zinc/87/70/61/1069877061.db2.gz NVHAZOQGKDVEHE-ZFWWWQNUSA-N 1 0 416.434 -0.271 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000733668229 1069878461 /nfs/dbraw/zinc/87/84/61/1069878461.db2.gz GOIORIAOSYIYOH-HNNXBMFYSA-N 1 0 423.539 -0.083 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000733668235 1069878279 /nfs/dbraw/zinc/87/82/79/1069878279.db2.gz GOIORIAOSYIYOH-OAHLLOKOSA-N 1 0 423.539 -0.083 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)CC1 ZINC000733670965 1069878950 /nfs/dbraw/zinc/87/89/50/1069878950.db2.gz QZSSEDUAXMDPPL-UHFFFAOYSA-N 1 0 402.455 -0.565 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)CC1 ZINC000733671743 1069879269 /nfs/dbraw/zinc/87/92/69/1069879269.db2.gz YAFROBBDUMEKPA-UHFFFAOYSA-N 1 0 402.455 -0.565 20 0 HBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(CO)CCOCC3)C2=O)c1 ZINC000733795194 1069883869 /nfs/dbraw/zinc/88/38/69/1069883869.db2.gz LWEKJNWFJIASDT-GOSISDBHSA-N 1 0 406.439 -0.376 20 0 HBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(CO)CCOCC3)C2=O)c1 ZINC000733795197 1069883745 /nfs/dbraw/zinc/88/37/45/1069883745.db2.gz LWEKJNWFJIASDT-SFHVURJKSA-N 1 0 406.439 -0.376 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CCOCC1 ZINC000733853129 1069884329 /nfs/dbraw/zinc/88/43/29/1069884329.db2.gz NMZZYDCPZSYFEX-UHFFFAOYSA-N 1 0 403.483 -0.212 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000733887169 1069891175 /nfs/dbraw/zinc/89/11/75/1069891175.db2.gz PXGIIHFGHAFGJE-HNNXBMFYSA-N 1 0 403.549 -0.873 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000733887170 1069891233 /nfs/dbraw/zinc/89/12/33/1069891233.db2.gz PXGIIHFGHAFGJE-OAHLLOKOSA-N 1 0 403.549 -0.873 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)CC1 ZINC000733904478 1069895602 /nfs/dbraw/zinc/89/56/02/1069895602.db2.gz XVHYTDVOZBZJOY-HNNXBMFYSA-N 1 0 409.487 -0.855 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)CC1 ZINC000733904482 1069895650 /nfs/dbraw/zinc/89/56/50/1069895650.db2.gz XVHYTDVOZBZJOY-OAHLLOKOSA-N 1 0 409.487 -0.855 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000733978105 1069896576 /nfs/dbraw/zinc/89/65/76/1069896576.db2.gz VEWBAEUUZWNWHW-AWEZNQCLSA-N 1 0 424.523 -0.157 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000733978106 1069897156 /nfs/dbraw/zinc/89/71/56/1069897156.db2.gz VEWBAEUUZWNWHW-CQSZACIVSA-N 1 0 424.523 -0.157 20 0 HBADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733996818 1069897387 /nfs/dbraw/zinc/89/73/87/1069897387.db2.gz JKQYSFDJGJVCKQ-CYBMUJFWSA-N 1 0 415.516 -0.337 20 0 HBADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733996822 1069897267 /nfs/dbraw/zinc/89/72/67/1069897267.db2.gz JKQYSFDJGJVCKQ-ZDUSSCGKSA-N 1 0 415.516 -0.337 20 0 HBADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000733998561 1069897835 /nfs/dbraw/zinc/89/78/35/1069897835.db2.gz YEBUXTGXNDUINO-GFCCVEGCSA-N 1 0 401.489 -0.585 20 0 HBADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000733998562 1069897927 /nfs/dbraw/zinc/89/79/27/1069897927.db2.gz YEBUXTGXNDUINO-LBPRGKRZSA-N 1 0 401.489 -0.585 20 0 HBADRO CNC(=O)C1([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCCC1 ZINC000734000461 1069898192 /nfs/dbraw/zinc/89/81/92/1069898192.db2.gz XWNHTFWLEMGFCH-UHFFFAOYSA-N 1 0 400.487 -0.340 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cnc21 ZINC000734243960 1069903867 /nfs/dbraw/zinc/90/38/67/1069903867.db2.gz OPZMKFZEYXSGTD-CYBMUJFWSA-N 1 0 423.495 -0.044 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cnc21 ZINC000734243961 1069904043 /nfs/dbraw/zinc/90/40/43/1069904043.db2.gz OPZMKFZEYXSGTD-ZDUSSCGKSA-N 1 0 423.495 -0.044 20 0 HBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271960 1069903979 /nfs/dbraw/zinc/90/39/79/1069903979.db2.gz GUVGDLKNWNYPNV-HNNXBMFYSA-N 1 0 403.549 -0.884 20 0 HBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271970 1069904149 /nfs/dbraw/zinc/90/41/49/1069904149.db2.gz GUVGDLKNWNYPNV-OAHLLOKOSA-N 1 0 403.549 -0.884 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734273016 1069903846 /nfs/dbraw/zinc/90/38/46/1069903846.db2.gz QMJDYWDJKINAOE-KRWDZBQOSA-N 1 0 417.576 -0.494 20 0 HBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734273019 1069905020 /nfs/dbraw/zinc/90/50/20/1069905020.db2.gz QMJDYWDJKINAOE-QGZVFWFLSA-N 1 0 417.576 -0.494 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274103 1069905061 /nfs/dbraw/zinc/90/50/61/1069905061.db2.gz ZJZVOOOHRKSUHY-INIZCTEOSA-N 1 0 404.533 -0.409 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274104 1069905002 /nfs/dbraw/zinc/90/50/02/1069905002.db2.gz ZJZVOOOHRKSUHY-MRXNPFEDSA-N 1 0 404.533 -0.409 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734280612 1069904867 /nfs/dbraw/zinc/90/48/67/1069904867.db2.gz NLQSLCRQDCTLGH-INIZCTEOSA-N 1 0 403.549 -0.237 20 0 HBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734280613 1069904694 /nfs/dbraw/zinc/90/46/94/1069904694.db2.gz NLQSLCRQDCTLGH-MRXNPFEDSA-N 1 0 403.549 -0.237 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734281866 1069904712 /nfs/dbraw/zinc/90/47/12/1069904712.db2.gz LEXNXBUQSABFOO-KRWDZBQOSA-N 1 0 407.515 -0.238 20 0 HBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734281867 1069904854 /nfs/dbraw/zinc/90/48/54/1069904854.db2.gz LEXNXBUQSABFOO-QGZVFWFLSA-N 1 0 407.515 -0.238 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734282485 1069904964 /nfs/dbraw/zinc/90/49/64/1069904964.db2.gz FZICSJCPTDGORE-IBGZPJMESA-N 1 0 423.558 -0.184 20 0 HBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734282486 1069905051 /nfs/dbraw/zinc/90/50/51/1069905051.db2.gz FZICSJCPTDGORE-LJQANCHMSA-N 1 0 423.558 -0.184 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734285542 1069904726 /nfs/dbraw/zinc/90/47/26/1069904726.db2.gz MNLLUFWWNRIIJX-INIZCTEOSA-N 1 0 406.491 -0.830 20 0 HBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734285543 1069904907 /nfs/dbraw/zinc/90/49/07/1069904907.db2.gz MNLLUFWWNRIIJX-MRXNPFEDSA-N 1 0 406.491 -0.830 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466154 1069906645 /nfs/dbraw/zinc/90/66/45/1069906645.db2.gz HFJYRCCMGYZECX-APWZRJJASA-N 1 0 414.510 -0.371 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466155 1069906453 /nfs/dbraw/zinc/90/64/53/1069906453.db2.gz HFJYRCCMGYZECX-LPHOPBHVSA-N 1 0 414.510 -0.371 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466156 1069906574 /nfs/dbraw/zinc/90/65/74/1069906574.db2.gz HFJYRCCMGYZECX-QFBILLFUSA-N 1 0 414.510 -0.371 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466157 1069906747 /nfs/dbraw/zinc/90/67/47/1069906747.db2.gz HFJYRCCMGYZECX-VQIMIIECSA-N 1 0 414.510 -0.371 20 0 HBADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000734467025 1069905815 /nfs/dbraw/zinc/90/58/15/1069905815.db2.gz QZILGJZHGZEEEZ-AWEZNQCLSA-N 1 0 400.476 -0.391 20 0 HBADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1F ZINC000734467027 1069905889 /nfs/dbraw/zinc/90/58/89/1069905889.db2.gz QZILGJZHGZEEEZ-CQSZACIVSA-N 1 0 400.476 -0.391 20 0 HBADRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734467620 1069905528 /nfs/dbraw/zinc/90/55/28/1069905528.db2.gz KLLNWDSUBVOCGQ-HNNXBMFYSA-N 1 0 422.507 -0.646 20 0 HBADRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734467621 1069905867 /nfs/dbraw/zinc/90/58/67/1069905867.db2.gz KLLNWDSUBVOCGQ-OAHLLOKOSA-N 1 0 422.507 -0.646 20 0 HBADRO C[C@@H]1NC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000734467650 1069905484 /nfs/dbraw/zinc/90/54/84/1069905484.db2.gz KWBLVZKQTXTMRN-DLBZAZTESA-N 1 0 414.510 -0.153 20 0 HBADRO C[C@H]1NC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000734467651 1069905927 /nfs/dbraw/zinc/90/59/27/1069905927.db2.gz KWBLVZKQTXTMRN-IAGOWNOFSA-N 1 0 414.510 -0.153 20 0 HBADRO C[C@@H]1NC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000734467654 1069905761 /nfs/dbraw/zinc/90/57/61/1069905761.db2.gz KWBLVZKQTXTMRN-IRXDYDNUSA-N 1 0 414.510 -0.153 20 0 HBADRO C[C@H]1NC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000734467656 1069906700 /nfs/dbraw/zinc/90/67/00/1069906700.db2.gz KWBLVZKQTXTMRN-SJORKVTESA-N 1 0 414.510 -0.153 20 0 HBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000734468941 1069906688 /nfs/dbraw/zinc/90/66/88/1069906688.db2.gz VVZXEPRTTIHXQC-INIZCTEOSA-N 1 0 409.512 -0.993 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000734468942 1069906628 /nfs/dbraw/zinc/90/66/28/1069906628.db2.gz VVZXEPRTTIHXQC-MRXNPFEDSA-N 1 0 409.512 -0.993 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734505857 1069908269 /nfs/dbraw/zinc/90/82/69/1069908269.db2.gz UGDBNJGVLYXIKH-INIZCTEOSA-N 1 0 403.549 -0.283 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000734505858 1069908351 /nfs/dbraw/zinc/90/83/51/1069908351.db2.gz UGDBNJGVLYXIKH-MRXNPFEDSA-N 1 0 403.549 -0.283 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)C1 ZINC000734663325 1069909367 /nfs/dbraw/zinc/90/93/67/1069909367.db2.gz LWUKVBQDGXYREV-INIZCTEOSA-N 1 0 403.549 -0.930 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)C1 ZINC000734663326 1069909441 /nfs/dbraw/zinc/90/94/41/1069909441.db2.gz LWUKVBQDGXYREV-MRXNPFEDSA-N 1 0 403.549 -0.930 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669073 1069909177 /nfs/dbraw/zinc/90/91/77/1069909177.db2.gz PFGVXMPQLRZVFZ-GOSISDBHSA-N 1 0 415.604 -0.083 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669074 1069909060 /nfs/dbraw/zinc/90/90/60/1069909060.db2.gz PFGVXMPQLRZVFZ-SFHVURJKSA-N 1 0 415.604 -0.083 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000734686815 1069909121 /nfs/dbraw/zinc/90/91/21/1069909121.db2.gz VSQOSHZDHSNPBF-INIZCTEOSA-N 1 0 403.549 -0.930 20 0 HBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000734686816 1069909239 /nfs/dbraw/zinc/90/92/39/1069909239.db2.gz VSQOSHZDHSNPBF-MRXNPFEDSA-N 1 0 403.549 -0.930 20 0 HBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000734698135 1069910156 /nfs/dbraw/zinc/91/01/56/1069910156.db2.gz WSPDBXCTPHRYKZ-UHFFFAOYSA-N 1 0 417.510 -0.134 20 0 HBADRO COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000734838949 1069911745 /nfs/dbraw/zinc/91/17/45/1069911745.db2.gz TVBURQPJMJIYKS-BHIYHBOVSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccc(COC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000734838951 1069911846 /nfs/dbraw/zinc/91/18/46/1069911846.db2.gz TVBURQPJMJIYKS-NEWSRXKRSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccc(COC[C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000734838953 1069911533 /nfs/dbraw/zinc/91/15/33/1069911533.db2.gz TVBURQPJMJIYKS-NZSAHSFTSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000734838956 1069911891 /nfs/dbraw/zinc/91/18/91/1069911891.db2.gz TVBURQPJMJIYKS-QRQLOZEOSA-N 1 0 414.524 -0.340 20 0 HBADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000734839416 1069911780 /nfs/dbraw/zinc/91/17/80/1069911780.db2.gz YONCYUSJHNMPDB-BRWVUGGUSA-N 1 0 400.497 -0.175 20 0 HBADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000734839417 1069911637 /nfs/dbraw/zinc/91/16/37/1069911637.db2.gz YONCYUSJHNMPDB-GVDBMIGSSA-N 1 0 400.497 -0.175 20 0 HBADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000734839418 1069911878 /nfs/dbraw/zinc/91/18/78/1069911878.db2.gz YONCYUSJHNMPDB-IXDOHACOSA-N 1 0 400.497 -0.175 20 0 HBADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000734839419 1069911665 /nfs/dbraw/zinc/91/16/65/1069911665.db2.gz YONCYUSJHNMPDB-YESZJQIVSA-N 1 0 400.497 -0.175 20 0 HBADRO Cn1cc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(=O)n(C)c1=O ZINC000735011310 1069916504 /nfs/dbraw/zinc/91/65/04/1069916504.db2.gz AFJPETVAWCBKOB-INIZCTEOSA-N 1 0 413.478 -0.289 20 0 HBADRO Cn1cc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(=O)n(C)c1=O ZINC000735011311 1069917229 /nfs/dbraw/zinc/91/72/29/1069917229.db2.gz AFJPETVAWCBKOB-MRXNPFEDSA-N 1 0 413.478 -0.289 20 0 HBADRO Cn1cc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000735040406 1069918317 /nfs/dbraw/zinc/91/83/17/1069918317.db2.gz NSKNHFVSCLKLQA-UHFFFAOYSA-N 1 0 407.515 -0.360 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000735041980 1069918202 /nfs/dbraw/zinc/91/82/02/1069918202.db2.gz JABCJLXBPIOALE-UHFFFAOYSA-N 1 0 404.467 -0.029 20 0 HBADRO Cn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O ZINC000735044622 1069918967 /nfs/dbraw/zinc/91/89/67/1069918967.db2.gz NUCHNQBSNBDJND-UHFFFAOYSA-N 1 0 401.471 -0.794 20 0 HBADRO Cn1cc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(=O)n(C)c1=O ZINC000735049411 1069918862 /nfs/dbraw/zinc/91/88/62/1069918862.db2.gz BLWDZBKABJBSGE-UHFFFAOYSA-N 1 0 413.478 -0.160 20 0 HBADRO Cn1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(=O)n(C)c1=O ZINC000735053267 1069919924 /nfs/dbraw/zinc/91/99/24/1069919924.db2.gz DAHNFFXMMGYFJG-UHFFFAOYSA-N 1 0 419.526 -0.072 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735054248 1069919945 /nfs/dbraw/zinc/91/99/45/1069919945.db2.gz QOWYBCPFEGBXQU-UHFFFAOYSA-N 1 0 407.515 -0.216 20 0 HBADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000735077805 1069923214 /nfs/dbraw/zinc/92/32/14/1069923214.db2.gz NZOXBUFCVJJJON-GFCCVEGCSA-N 1 0 401.489 -0.714 20 0 HBADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000735077806 1069923325 /nfs/dbraw/zinc/92/33/25/1069923325.db2.gz NZOXBUFCVJJJON-LBPRGKRZSA-N 1 0 401.489 -0.714 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000735198731 1069929649 /nfs/dbraw/zinc/92/96/49/1069929649.db2.gz BSCIANPCYSVXAC-INIZCTEOSA-N 1 0 423.539 -0.083 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000735198733 1069929869 /nfs/dbraw/zinc/92/98/69/1069929869.db2.gz BSCIANPCYSVXAC-MRXNPFEDSA-N 1 0 423.539 -0.083 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000735200331 1069929774 /nfs/dbraw/zinc/92/97/74/1069929774.db2.gz KMTRPNNRFMBKBH-INIZCTEOSA-N 1 0 423.539 -0.083 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000735200332 1069929897 /nfs/dbraw/zinc/92/98/97/1069929897.db2.gz KMTRPNNRFMBKBH-MRXNPFEDSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000735201609 1069929722 /nfs/dbraw/zinc/92/97/22/1069929722.db2.gz RJRSDDPAGBKRCD-AWEZNQCLSA-N 1 0 409.512 -0.473 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000735201610 1069929682 /nfs/dbraw/zinc/92/96/82/1069929682.db2.gz RJRSDDPAGBKRCD-CQSZACIVSA-N 1 0 409.512 -0.473 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(N)=O)cc3)CC1)C2=O ZINC000735486319 1069936581 /nfs/dbraw/zinc/93/65/81/1069936581.db2.gz ZKAVHVFZLDGLKB-UHFFFAOYSA-N 1 0 400.483 -0.119 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735588547 1069939907 /nfs/dbraw/zinc/93/99/07/1069939907.db2.gz KKFYCQOVBGXEKB-KRWDZBQOSA-N 1 0 403.483 -0.212 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735588550 1069939838 /nfs/dbraw/zinc/93/98/38/1069939838.db2.gz KKFYCQOVBGXEKB-QGZVFWFLSA-N 1 0 403.483 -0.212 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2O1 ZINC000735589248 1069939821 /nfs/dbraw/zinc/93/98/21/1069939821.db2.gz GEDKRDORPFOVOW-CPUCHLNUSA-N 1 0 403.435 -0.067 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2O1 ZINC000735589249 1069939679 /nfs/dbraw/zinc/93/96/79/1069939679.db2.gz GEDKRDORPFOVOW-KEYYUXOJSA-N 1 0 403.435 -0.067 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2O1 ZINC000735589250 1069939618 /nfs/dbraw/zinc/93/96/18/1069939618.db2.gz GEDKRDORPFOVOW-VBQJREDUSA-N 1 0 403.435 -0.067 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2O1 ZINC000735589251 1069939878 /nfs/dbraw/zinc/93/98/78/1069939878.db2.gz GEDKRDORPFOVOW-ZQIUZPCESA-N 1 0 403.435 -0.067 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735589252 1069940052 /nfs/dbraw/zinc/94/00/52/1069940052.db2.gz GEVLBISWRRWEKD-DLBZAZTESA-N 1 0 401.467 -0.459 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735589253 1069939721 /nfs/dbraw/zinc/93/97/21/1069939721.db2.gz GEVLBISWRRWEKD-IAGOWNOFSA-N 1 0 401.467 -0.459 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735589254 1069939787 /nfs/dbraw/zinc/93/97/87/1069939787.db2.gz GEVLBISWRRWEKD-IRXDYDNUSA-N 1 0 401.467 -0.459 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000735589255 1069939940 /nfs/dbraw/zinc/93/99/40/1069939940.db2.gz GEVLBISWRRWEKD-SJORKVTESA-N 1 0 401.467 -0.459 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000735589748 1069940598 /nfs/dbraw/zinc/94/05/98/1069940598.db2.gz KTXYSYYIEVSXFF-UHFFFAOYSA-N 1 0 411.890 -0.091 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000735589789 1069940647 /nfs/dbraw/zinc/94/06/47/1069940647.db2.gz LBPPZEXEVCIWRA-UHFFFAOYSA-N 1 0 412.512 -0.480 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000735589909 1069940751 /nfs/dbraw/zinc/94/07/51/1069940751.db2.gz MKZCOAIQGXTXFX-UHFFFAOYSA-N 1 0 402.473 -0.499 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C ZINC000735590015 1069939986 /nfs/dbraw/zinc/93/99/86/1069939986.db2.gz NXCJMTVLUVZPGZ-CABCVRRESA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C ZINC000735590021 1069940509 /nfs/dbraw/zinc/94/05/09/1069940509.db2.gz NXCJMTVLUVZPGZ-GJZGRUSLSA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C ZINC000735590024 1069940795 /nfs/dbraw/zinc/94/07/95/1069940795.db2.gz NXCJMTVLUVZPGZ-HUUCEWRRSA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C ZINC000735590026 1069940577 /nfs/dbraw/zinc/94/05/77/1069940577.db2.gz NXCJMTVLUVZPGZ-LSDHHAIUSA-N 1 0 410.496 -0.179 20 0 HBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC000735592406 1069940694 /nfs/dbraw/zinc/94/06/94/1069940694.db2.gz ZFJIPOOZTCHJPD-INIZCTEOSA-N 1 0 403.483 -0.260 20 0 HBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCO1 ZINC000735592408 1069940547 /nfs/dbraw/zinc/94/05/47/1069940547.db2.gz ZFJIPOOZTCHJPD-MRXNPFEDSA-N 1 0 403.483 -0.260 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-n1nnnc1C ZINC000735592904 1069941652 /nfs/dbraw/zinc/94/16/52/1069941652.db2.gz HNSNZJQEHKONFG-CABCVRRESA-N 1 0 415.454 -0.103 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-n1nnnc1C ZINC000735592905 1069941442 /nfs/dbraw/zinc/94/14/42/1069941442.db2.gz HNSNZJQEHKONFG-GJZGRUSLSA-N 1 0 415.454 -0.103 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-n1nnnc1C ZINC000735592907 1069941755 /nfs/dbraw/zinc/94/17/55/1069941755.db2.gz HNSNZJQEHKONFG-HUUCEWRRSA-N 1 0 415.454 -0.103 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-n1nnnc1C ZINC000735592909 1069941686 /nfs/dbraw/zinc/94/16/86/1069941686.db2.gz HNSNZJQEHKONFG-LSDHHAIUSA-N 1 0 415.454 -0.103 20 0 HBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000735592927 1069941500 /nfs/dbraw/zinc/94/15/00/1069941500.db2.gz HULICNPENLYIEG-CVEARBPZSA-N 1 0 418.450 -0.493 20 0 HBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000735592929 1069941362 /nfs/dbraw/zinc/94/13/62/1069941362.db2.gz HULICNPENLYIEG-HOTGVXAUSA-N 1 0 418.450 -0.493 20 0 HBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000735592931 1069941719 /nfs/dbraw/zinc/94/17/19/1069941719.db2.gz HULICNPENLYIEG-HZPDHXFCSA-N 1 0 418.450 -0.493 20 0 HBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000735592933 1069941465 /nfs/dbraw/zinc/94/14/65/1069941465.db2.gz HULICNPENLYIEG-JKSUJKDBSA-N 1 0 418.450 -0.493 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000735595751 1069941555 /nfs/dbraw/zinc/94/15/55/1069941555.db2.gz PHZAPLBHRRZAJE-CABCVRRESA-N 1 0 410.496 -0.145 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000735595759 1069941615 /nfs/dbraw/zinc/94/16/15/1069941615.db2.gz PHZAPLBHRRZAJE-GJZGRUSLSA-N 1 0 410.496 -0.145 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000735595761 1069941579 /nfs/dbraw/zinc/94/15/79/1069941579.db2.gz PHZAPLBHRRZAJE-HUUCEWRRSA-N 1 0 410.496 -0.145 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000735595763 1069941524 /nfs/dbraw/zinc/94/15/24/1069941524.db2.gz PHZAPLBHRRZAJE-LSDHHAIUSA-N 1 0 410.496 -0.145 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2O1 ZINC000735597824 1069942441 /nfs/dbraw/zinc/94/24/41/1069942441.db2.gz ZVJYPBHLCIYDAZ-CPUCHLNUSA-N 1 0 402.451 -0.494 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2O1 ZINC000735597826 1069942303 /nfs/dbraw/zinc/94/23/03/1069942303.db2.gz ZVJYPBHLCIYDAZ-KEYYUXOJSA-N 1 0 402.451 -0.494 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2O1 ZINC000735597829 1069942554 /nfs/dbraw/zinc/94/25/54/1069942554.db2.gz ZVJYPBHLCIYDAZ-VBQJREDUSA-N 1 0 402.451 -0.494 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2O1 ZINC000735597831 1069942336 /nfs/dbraw/zinc/94/23/36/1069942336.db2.gz ZVJYPBHLCIYDAZ-ZQIUZPCESA-N 1 0 402.451 -0.494 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2=O)c1 ZINC000735855883 1069950801 /nfs/dbraw/zinc/95/08/01/1069950801.db2.gz SRJAEADLWKTJMG-BMFZPTHFSA-N 1 0 422.507 -0.334 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2=O)c1 ZINC000735855885 1069951020 /nfs/dbraw/zinc/95/10/20/1069951020.db2.gz SRJAEADLWKTJMG-FVQBIDKESA-N 1 0 422.507 -0.334 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2=O)c1 ZINC000735855888 1069951053 /nfs/dbraw/zinc/95/10/53/1069951053.db2.gz SRJAEADLWKTJMG-KBMXLJTQSA-N 1 0 422.507 -0.334 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2=O)c1 ZINC000735855890 1069950888 /nfs/dbraw/zinc/95/08/88/1069950888.db2.gz SRJAEADLWKTJMG-VNQPRFMTSA-N 1 0 422.507 -0.334 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C[NH+]1CCN(C)CC1 ZINC000735887266 1069950716 /nfs/dbraw/zinc/95/07/16/1069950716.db2.gz QTDMCUAPTJZCBM-INIZCTEOSA-N 1 0 416.526 -0.439 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C[NH+]1CCN(C)CC1 ZINC000735887268 1069950773 /nfs/dbraw/zinc/95/07/73/1069950773.db2.gz QTDMCUAPTJZCBM-MRXNPFEDSA-N 1 0 416.526 -0.439 20 0 HBADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000735887673 1069950916 /nfs/dbraw/zinc/95/09/16/1069950916.db2.gz WCAYIQLMNRXSIV-AWEZNQCLSA-N 1 0 419.482 -0.086 20 0 HBADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000735887674 1069950939 /nfs/dbraw/zinc/95/09/39/1069950939.db2.gz WCAYIQLMNRXSIV-CQSZACIVSA-N 1 0 419.482 -0.086 20 0 HBADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000736130574 1069956417 /nfs/dbraw/zinc/95/64/17/1069956417.db2.gz GCGINXMEFKQQLP-CVEARBPZSA-N 1 0 408.499 -0.447 20 0 HBADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000736130577 1069956297 /nfs/dbraw/zinc/95/62/97/1069956297.db2.gz GCGINXMEFKQQLP-HOTGVXAUSA-N 1 0 408.499 -0.447 20 0 HBADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000736130580 1069956347 /nfs/dbraw/zinc/95/63/47/1069956347.db2.gz GCGINXMEFKQQLP-HZPDHXFCSA-N 1 0 408.499 -0.447 20 0 HBADRO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000736130583 1069956440 /nfs/dbraw/zinc/95/64/40/1069956440.db2.gz GCGINXMEFKQQLP-JKSUJKDBSA-N 1 0 408.499 -0.447 20 0 HBADRO CCCCCC[N@H+](C)CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000736167087 1069958934 /nfs/dbraw/zinc/95/89/34/1069958934.db2.gz NVVXPIRFTLAHJE-KRWDZBQOSA-N 1 0 416.588 -0.054 20 0 HBADRO CCCCCC[N@H+](C)CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000736167088 1069958671 /nfs/dbraw/zinc/95/86/71/1069958671.db2.gz NVVXPIRFTLAHJE-QGZVFWFLSA-N 1 0 416.588 -0.054 20 0 HBADRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000736168556 1069958903 /nfs/dbraw/zinc/95/89/03/1069958903.db2.gz WWJFKICLUSZVIY-KRWDZBQOSA-N 1 0 414.572 -0.300 20 0 HBADRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000736168558 1069958981 /nfs/dbraw/zinc/95/89/81/1069958981.db2.gz WWJFKICLUSZVIY-QGZVFWFLSA-N 1 0 414.572 -0.300 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736382067 1069961370 /nfs/dbraw/zinc/96/13/70/1069961370.db2.gz RIEQLSLVMMACKD-HNNXBMFYSA-N 1 0 404.533 -0.552 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736382068 1069961529 /nfs/dbraw/zinc/96/15/29/1069961529.db2.gz RIEQLSLVMMACKD-OAHLLOKOSA-N 1 0 404.533 -0.552 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000737037398 1069962834 /nfs/dbraw/zinc/96/28/34/1069962834.db2.gz IZDKFESYHBZHNU-UHFFFAOYSA-N 1 0 404.533 -0.598 20 0 HBADRO CN(c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000737089733 1069964052 /nfs/dbraw/zinc/96/40/52/1069964052.db2.gz WCHIEMSWVTZTMF-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000737195395 1069965463 /nfs/dbraw/zinc/96/54/63/1069965463.db2.gz GZNDDEILVADLQE-UHFFFAOYSA-N 1 0 413.500 -0.429 20 0 HBADRO CN(c1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1)C1CC[NH+](C)CC1 ZINC000737197152 1069965229 /nfs/dbraw/zinc/96/52/29/1069965229.db2.gz HVLUTUQWKCSQIG-UHFFFAOYSA-N 1 0 416.482 -0.177 20 0 HBADRO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1S(N)(=O)=O ZINC000737215978 1069966411 /nfs/dbraw/zinc/96/64/11/1069966411.db2.gz DMWOKZNHYOSIBB-CABCVRRESA-N 1 0 410.496 -0.186 20 0 HBADRO CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1S(N)(=O)=O ZINC000737215981 1069966205 /nfs/dbraw/zinc/96/62/05/1069966205.db2.gz DMWOKZNHYOSIBB-GJZGRUSLSA-N 1 0 410.496 -0.186 20 0 HBADRO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1S(N)(=O)=O ZINC000737215983 1069966156 /nfs/dbraw/zinc/96/61/56/1069966156.db2.gz DMWOKZNHYOSIBB-HUUCEWRRSA-N 1 0 410.496 -0.186 20 0 HBADRO CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1S(N)(=O)=O ZINC000737215985 1069966478 /nfs/dbraw/zinc/96/64/78/1069966478.db2.gz DMWOKZNHYOSIBB-LSDHHAIUSA-N 1 0 410.496 -0.186 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000737217422 1069967016 /nfs/dbraw/zinc/96/70/16/1069967016.db2.gz LOCCMAUOBBOCBB-CHWSQXEVSA-N 1 0 400.432 -0.609 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000737217424 1069967228 /nfs/dbraw/zinc/96/72/28/1069967228.db2.gz LOCCMAUOBBOCBB-OLZOCXBDSA-N 1 0 400.432 -0.609 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000737217426 1069967182 /nfs/dbraw/zinc/96/71/82/1069967182.db2.gz LOCCMAUOBBOCBB-QWHCGFSZSA-N 1 0 400.432 -0.609 20 0 HBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000737217427 1069967256 /nfs/dbraw/zinc/96/72/56/1069967256.db2.gz LOCCMAUOBBOCBB-STQMWFEESA-N 1 0 400.432 -0.609 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000737217595 1069965974 /nfs/dbraw/zinc/96/59/74/1069965974.db2.gz NOIFXQRFFWQSQS-CVEARBPZSA-N 1 0 410.496 -0.346 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000737217600 1069966353 /nfs/dbraw/zinc/96/63/53/1069966353.db2.gz NOIFXQRFFWQSQS-HOTGVXAUSA-N 1 0 410.496 -0.346 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000737217603 1069966242 /nfs/dbraw/zinc/96/62/42/1069966242.db2.gz NOIFXQRFFWQSQS-HZPDHXFCSA-N 1 0 410.496 -0.346 20 0 HBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000737217607 1069966446 /nfs/dbraw/zinc/96/64/46/1069966446.db2.gz NOIFXQRFFWQSQS-JKSUJKDBSA-N 1 0 410.496 -0.346 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000737218060 1069966283 /nfs/dbraw/zinc/96/62/83/1069966283.db2.gz QLQAWXGXLPJPHA-KBPBESRZSA-N 1 0 410.496 -0.131 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000737218062 1069966099 /nfs/dbraw/zinc/96/60/99/1069966099.db2.gz QLQAWXGXLPJPHA-KGLIPLIRSA-N 1 0 410.496 -0.131 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000737218064 1069967044 /nfs/dbraw/zinc/96/70/44/1069967044.db2.gz QLQAWXGXLPJPHA-UONOGXRCSA-N 1 0 410.496 -0.131 20 0 HBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000737218066 1069967274 /nfs/dbraw/zinc/96/72/74/1069967274.db2.gz QLQAWXGXLPJPHA-ZIAGYGMSSA-N 1 0 410.496 -0.131 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239418 1069967306 /nfs/dbraw/zinc/96/73/06/1069967306.db2.gz JZVCKGKLZDKSLU-INIZCTEOSA-N 1 0 417.510 -0.012 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239419 1069967068 /nfs/dbraw/zinc/96/70/68/1069967068.db2.gz JZVCKGKLZDKSLU-MRXNPFEDSA-N 1 0 417.510 -0.012 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000737250494 1069967914 /nfs/dbraw/zinc/96/79/14/1069967914.db2.gz OHFVPTINIFOZMD-UHFFFAOYSA-N 1 0 417.491 -0.129 20 0 HBADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000737250516 1069968022 /nfs/dbraw/zinc/96/80/22/1069968022.db2.gz OVFCGSMOJWAFSH-UHFFFAOYSA-N 1 0 407.452 -0.148 20 0 HBADRO CN(c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000737255613 1069967966 /nfs/dbraw/zinc/96/79/66/1069967966.db2.gz ZNJMYNQKLSERKN-UHFFFAOYSA-N 1 0 411.528 -0.050 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000737286639 1069968933 /nfs/dbraw/zinc/96/89/33/1069968933.db2.gz RANBJMBJVUDYRR-UHFFFAOYSA-N 1 0 412.468 -0.355 20 0 HBADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000737295324 1069970183 /nfs/dbraw/zinc/97/01/83/1069970183.db2.gz USLIMFRWRNJDTE-GOSISDBHSA-N 1 0 417.510 -0.086 20 0 HBADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000737295327 1069970093 /nfs/dbraw/zinc/97/00/93/1069970093.db2.gz USLIMFRWRNJDTE-SFHVURJKSA-N 1 0 417.510 -0.086 20 0 HBADRO Cn1cc(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000737727384 1069972601 /nfs/dbraw/zinc/97/26/01/1069972601.db2.gz FQMSDVNDPMZLPH-UHFFFAOYSA-N 1 0 415.494 -0.013 20 0 HBADRO Cn1c(N2CCOCC2)nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1=S ZINC000738161209 1069976036 /nfs/dbraw/zinc/97/60/36/1069976036.db2.gz OVNGEGQCDMPBRZ-UHFFFAOYSA-N 1 0 409.560 -0.015 20 0 HBADRO CNC(=O)c1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)c2ccccc21 ZINC000738161837 1069975865 /nfs/dbraw/zinc/97/58/65/1069975865.db2.gz VNEKRSDCYXUXER-UHFFFAOYSA-N 1 0 412.494 -0.046 20 0 HBADRO COC(=O)c1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)c2noc(C)c21 ZINC000738162463 1069975978 /nfs/dbraw/zinc/97/59/78/1069975978.db2.gz ZHDMLBMCKQCWFB-UHFFFAOYSA-N 1 0 418.454 -0.323 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000739085319 1069980375 /nfs/dbraw/zinc/98/03/75/1069980375.db2.gz IEUHARMNWQISRF-UHFFFAOYSA-N 1 0 400.501 -0.071 20 0 HBADRO CC[C@@H](C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000741032845 1069995835 /nfs/dbraw/zinc/99/58/35/1069995835.db2.gz NYMDEMDZIFPMOZ-CVEARBPZSA-N 1 0 403.545 -0.019 20 0 HBADRO CC[C@@H](C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000741032846 1069995896 /nfs/dbraw/zinc/99/58/96/1069995896.db2.gz NYMDEMDZIFPMOZ-HOTGVXAUSA-N 1 0 403.545 -0.019 20 0 HBADRO CC[C@H](C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000741032847 1069996031 /nfs/dbraw/zinc/99/60/31/1069996031.db2.gz NYMDEMDZIFPMOZ-HZPDHXFCSA-N 1 0 403.545 -0.019 20 0 HBADRO CC[C@H](C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000741032848 1069995770 /nfs/dbraw/zinc/99/57/70/1069995770.db2.gz NYMDEMDZIFPMOZ-JKSUJKDBSA-N 1 0 403.545 -0.019 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000741082014 1069997566 /nfs/dbraw/zinc/99/75/66/1069997566.db2.gz WIRSVPIITSFDLX-UHFFFAOYSA-N 1 0 413.519 -0.178 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000741101256 1069998261 /nfs/dbraw/zinc/99/82/61/1069998261.db2.gz KXFSUZBDUWSPQZ-UHFFFAOYSA-N 1 0 424.523 -0.601 20 0 HBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000741101331 1069998355 /nfs/dbraw/zinc/99/83/55/1069998355.db2.gz NDXFMTDFLYRJLT-UHFFFAOYSA-N 1 0 423.901 -0.212 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000741145136 1069999882 /nfs/dbraw/zinc/99/98/82/1069999882.db2.gz NPWARRSLTAJGGF-UHFFFAOYSA-N 1 0 411.528 -0.628 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741208520 1070000893 /nfs/dbraw/zinc/00/08/93/1070000893.db2.gz CKPCEFFZGMPUMR-UHFFFAOYSA-N 1 0 411.503 -0.702 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cn1 ZINC000741713100 1070011531 /nfs/dbraw/zinc/01/15/31/1070011531.db2.gz GNXVUMZUWAPUGA-UHFFFAOYSA-N 1 0 412.447 -0.400 20 0 HBADRO COCCC[N@H+](C)CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000741727187 1070012909 /nfs/dbraw/zinc/01/29/09/1070012909.db2.gz NXGGVZWHYOPJDK-UHFFFAOYSA-N 1 0 415.292 -0.023 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000741755520 1070013734 /nfs/dbraw/zinc/01/37/34/1070013734.db2.gz UEKWDFNYQIQACW-INIZCTEOSA-N 1 0 405.565 -0.133 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000741755524 1070013803 /nfs/dbraw/zinc/01/38/03/1070013803.db2.gz UEKWDFNYQIQACW-MRXNPFEDSA-N 1 0 405.565 -0.133 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000742243594 1070019438 /nfs/dbraw/zinc/01/94/38/1070019438.db2.gz NQBMMHWGCRGURS-UHFFFAOYSA-N 1 0 420.495 -0.218 20 0 HBADRO NC(=O)CC[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C(=O)c2ccccc2C1=O ZINC000742247519 1070020152 /nfs/dbraw/zinc/02/01/52/1070020152.db2.gz JMZZPCVOWZIWHE-CKEIUWERSA-N 1 0 414.462 -0.104 20 0 HBADRO NC(=O)CC[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1C(=O)c2ccccc2C1=O ZINC000742247520 1070020338 /nfs/dbraw/zinc/02/03/38/1070020338.db2.gz JMZZPCVOWZIWHE-GRDNDAEWSA-N 1 0 414.462 -0.104 20 0 HBADRO NC(=O)CC[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1C(=O)c2ccccc2C1=O ZINC000742247521 1070020187 /nfs/dbraw/zinc/02/01/87/1070020187.db2.gz JMZZPCVOWZIWHE-JJRVBVJISA-N 1 0 414.462 -0.104 20 0 HBADRO NC(=O)CC[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1C(=O)c2ccccc2C1=O ZINC000742247522 1070020060 /nfs/dbraw/zinc/02/00/60/1070020060.db2.gz JMZZPCVOWZIWHE-JKIFEVAISA-N 1 0 414.462 -0.104 20 0 HBADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000742247872 1070020008 /nfs/dbraw/zinc/02/00/08/1070020008.db2.gz DRVDIUWPKMGMTG-UHFFFAOYSA-N 1 0 410.540 -0.023 20 0 HBADRO C[NH+]1CCN(Cc2cccc(C(=O)NCCS(=O)(=O)N3CCOCC3)c2)CC1 ZINC000742248235 1070020136 /nfs/dbraw/zinc/02/01/36/1070020136.db2.gz SXIXTIGNBFQFJV-UHFFFAOYSA-N 1 0 410.540 -0.174 20 0 HBADRO CC[NH+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742278970 1070021925 /nfs/dbraw/zinc/02/19/25/1070021925.db2.gz DQDVVVNFJYNIJP-UHFFFAOYSA-N 1 0 411.590 -0.079 20 0 HBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742280335 1070022657 /nfs/dbraw/zinc/02/26/57/1070022657.db2.gz OYKGKMUONSMLQM-UHFFFAOYSA-N 1 0 411.590 -0.223 20 0 HBADRO CS(=O)(=O)CCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000742294532 1070024684 /nfs/dbraw/zinc/02/46/84/1070024684.db2.gz VTWGTBDOODHOOL-INIZCTEOSA-N 1 0 417.553 -0.152 20 0 HBADRO CS(=O)(=O)CCS(=O)(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000742294533 1070024515 /nfs/dbraw/zinc/02/45/15/1070024515.db2.gz VTWGTBDOODHOOL-MRXNPFEDSA-N 1 0 417.553 -0.152 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000742312108 1070025994 /nfs/dbraw/zinc/02/59/94/1070025994.db2.gz VTLCSGBKTKOGLP-INIZCTEOSA-N 1 0 405.565 -0.132 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000742312109 1070025843 /nfs/dbraw/zinc/02/58/43/1070025843.db2.gz VTLCSGBKTKOGLP-MRXNPFEDSA-N 1 0 405.565 -0.132 20 0 HBADRO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)CC2 ZINC000742428311 1070027276 /nfs/dbraw/zinc/02/72/76/1070027276.db2.gz GDPCLCKGNZAOSI-UHFFFAOYSA-N 1 0 402.455 -0.186 20 0 HBADRO Cn1cc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c(=O)n(C)c1=O ZINC000742897472 1070036130 /nfs/dbraw/zinc/03/61/30/1070036130.db2.gz LBTSRKWUWDGERA-UHFFFAOYSA-N 1 0 401.467 -0.038 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000743206603 1070038393 /nfs/dbraw/zinc/03/83/93/1070038393.db2.gz ATEUQKUHZAONEB-UHFFFAOYSA-N 1 0 414.532 -0.054 20 0 HBADRO CS(=O)(=O)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000743207264 1070038122 /nfs/dbraw/zinc/03/81/22/1070038122.db2.gz HQHCMRUOBVUURG-CYBMUJFWSA-N 1 0 400.505 -0.363 20 0 HBADRO CS(=O)(=O)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000743207267 1070038211 /nfs/dbraw/zinc/03/82/11/1070038211.db2.gz HQHCMRUOBVUURG-ZDUSSCGKSA-N 1 0 400.505 -0.363 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207596 1070038292 /nfs/dbraw/zinc/03/82/92/1070038292.db2.gz XISCEMXJAIQQDL-AWEZNQCLSA-N 1 0 414.532 -0.008 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207597 1070038425 /nfs/dbraw/zinc/03/84/25/1070038425.db2.gz XISCEMXJAIQQDL-CQSZACIVSA-N 1 0 414.532 -0.008 20 0 HBADRO CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000743208192 1070039120 /nfs/dbraw/zinc/03/91/20/1070039120.db2.gz GIYXGNBGXNJAET-UHFFFAOYSA-N 1 0 412.516 -0.300 20 0 HBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCCCCC1 ZINC000743312497 1070038989 /nfs/dbraw/zinc/03/89/89/1070038989.db2.gz DMVKHYQNASNFCE-CVEARBPZSA-N 1 0 421.585 -0.088 20 0 HBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCCCCC1 ZINC000743312498 1070039086 /nfs/dbraw/zinc/03/90/86/1070039086.db2.gz DMVKHYQNASNFCE-HOTGVXAUSA-N 1 0 421.585 -0.088 20 0 HBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCCCCC1 ZINC000743312500 1070039604 /nfs/dbraw/zinc/03/96/04/1070039604.db2.gz DMVKHYQNASNFCE-HZPDHXFCSA-N 1 0 421.585 -0.088 20 0 HBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCCCCC1 ZINC000743312502 1070039822 /nfs/dbraw/zinc/03/98/22/1070039822.db2.gz DMVKHYQNASNFCE-JKSUJKDBSA-N 1 0 421.585 -0.088 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000743593161 1070042118 /nfs/dbraw/zinc/04/21/18/1070042118.db2.gz AOUWMLZCQYGLPM-CVEARBPZSA-N 1 0 413.500 -0.305 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000743593162 1070042013 /nfs/dbraw/zinc/04/20/13/1070042013.db2.gz AOUWMLZCQYGLPM-HOTGVXAUSA-N 1 0 413.500 -0.305 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000743593163 1070042150 /nfs/dbraw/zinc/04/21/50/1070042150.db2.gz AOUWMLZCQYGLPM-HZPDHXFCSA-N 1 0 413.500 -0.305 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000743593164 1070042238 /nfs/dbraw/zinc/04/22/38/1070042238.db2.gz AOUWMLZCQYGLPM-JKSUJKDBSA-N 1 0 413.500 -0.305 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000743811696 1070046396 /nfs/dbraw/zinc/04/63/96/1070046396.db2.gz VFQBYLFOCAKJQY-UHFFFAOYSA-N 1 0 409.472 -0.148 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000743813350 1070046209 /nfs/dbraw/zinc/04/62/09/1070046209.db2.gz ODRCLVHSUXIIPJ-UHFFFAOYSA-N 1 0 410.544 -0.124 20 0 HBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000743880391 1070046918 /nfs/dbraw/zinc/04/69/18/1070046918.db2.gz APSVHAOADWJAQZ-GFCCVEGCSA-N 1 0 421.903 -0.259 20 0 HBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000743880392 1070046781 /nfs/dbraw/zinc/04/67/81/1070046781.db2.gz APSVHAOADWJAQZ-LBPRGKRZSA-N 1 0 421.903 -0.259 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000743894800 1070048404 /nfs/dbraw/zinc/04/84/04/1070048404.db2.gz YFSLJYGLQJUESN-HNNXBMFYSA-N 1 0 400.487 -0.009 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000743894804 1070048262 /nfs/dbraw/zinc/04/82/62/1070048262.db2.gz YFSLJYGLQJUESN-OAHLLOKOSA-N 1 0 400.487 -0.009 20 0 HBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCCNC(=O)C3)cc2)CC1 ZINC000743903298 1070048893 /nfs/dbraw/zinc/04/88/93/1070048893.db2.gz QPTTWCXNCRLCSF-UHFFFAOYSA-N 1 0 403.483 -0.400 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000743912523 1070046967 /nfs/dbraw/zinc/04/69/67/1070046967.db2.gz WEPYDOMHOVIZRE-UHFFFAOYSA-N 1 0 412.512 -0.064 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000743913261 1070047579 /nfs/dbraw/zinc/04/75/79/1070047579.db2.gz CNCXPEZSUPTIMD-CYBMUJFWSA-N 1 0 400.443 -0.696 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000743913262 1070047310 /nfs/dbraw/zinc/04/73/10/1070047310.db2.gz CNCXPEZSUPTIMD-ZDUSSCGKSA-N 1 0 400.443 -0.696 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-n1cnnn1 ZINC000743914018 1070047510 /nfs/dbraw/zinc/04/75/10/1070047510.db2.gz KOQSUWSTCLZFDB-KBPBESRZSA-N 1 0 401.427 -0.411 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-n1cnnn1 ZINC000743914019 1070047737 /nfs/dbraw/zinc/04/77/37/1070047737.db2.gz KOQSUWSTCLZFDB-KGLIPLIRSA-N 1 0 401.427 -0.411 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-n1cnnn1 ZINC000743914020 1070047353 /nfs/dbraw/zinc/04/73/53/1070047353.db2.gz KOQSUWSTCLZFDB-UONOGXRCSA-N 1 0 401.427 -0.411 20 0 HBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-n1cnnn1 ZINC000743914021 1070047678 /nfs/dbraw/zinc/04/76/78/1070047678.db2.gz KOQSUWSTCLZFDB-ZIAGYGMSSA-N 1 0 401.427 -0.411 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000743914311 1070047416 /nfs/dbraw/zinc/04/74/16/1070047416.db2.gz NAPDYWYUXOUIQR-CABCVRRESA-N 1 0 422.507 -0.537 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000743914312 1070047632 /nfs/dbraw/zinc/04/76/32/1070047632.db2.gz NAPDYWYUXOUIQR-GJZGRUSLSA-N 1 0 422.507 -0.537 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000743914313 1070047817 /nfs/dbraw/zinc/04/78/17/1070047817.db2.gz NAPDYWYUXOUIQR-HUUCEWRRSA-N 1 0 422.507 -0.537 20 0 HBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000743914314 1070047866 /nfs/dbraw/zinc/04/78/66/1070047866.db2.gz NAPDYWYUXOUIQR-LSDHHAIUSA-N 1 0 422.507 -0.537 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000743919331 1070050178 /nfs/dbraw/zinc/05/01/78/1070050178.db2.gz GHVKHYZHDAXFNH-HNNXBMFYSA-N 1 0 424.523 -0.337 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000743919332 1070050260 /nfs/dbraw/zinc/05/02/60/1070050260.db2.gz GHVKHYZHDAXFNH-OAHLLOKOSA-N 1 0 424.523 -0.337 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000743919966 1070049920 /nfs/dbraw/zinc/04/99/20/1070049920.db2.gz QDKKRIRSKFADJC-HNNXBMFYSA-N 1 0 413.496 -0.115 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000743919967 1070050132 /nfs/dbraw/zinc/05/01/32/1070050132.db2.gz QDKKRIRSKFADJC-OAHLLOKOSA-N 1 0 413.496 -0.115 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)C1 ZINC000743920167 1070050312 /nfs/dbraw/zinc/05/03/12/1070050312.db2.gz UERYKWKVPVGGTM-AWEZNQCLSA-N 1 0 414.484 -0.356 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)C1 ZINC000743920168 1070049871 /nfs/dbraw/zinc/04/98/71/1070049871.db2.gz UERYKWKVPVGGTM-CQSZACIVSA-N 1 0 414.484 -0.356 20 0 HBADRO Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000743934592 1070050867 /nfs/dbraw/zinc/05/08/67/1070050867.db2.gz MYPZCWFYPBLYQL-GOSISDBHSA-N 1 0 400.483 -0.044 20 0 HBADRO Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cn1 ZINC000743934593 1070050728 /nfs/dbraw/zinc/05/07/28/1070050728.db2.gz MYPZCWFYPBLYQL-SFHVURJKSA-N 1 0 400.483 -0.044 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000743934711 1070050996 /nfs/dbraw/zinc/05/09/96/1070050996.db2.gz ZTFDQPCLZWPPOZ-UHFFFAOYSA-N 1 0 412.512 -0.446 20 0 HBADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000743943737 1070050084 /nfs/dbraw/zinc/05/00/84/1070050084.db2.gz DSIJNTVCLYFGIC-INIZCTEOSA-N 1 0 415.494 -0.258 20 0 HBADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000743943738 1070050001 /nfs/dbraw/zinc/05/00/01/1070050001.db2.gz DSIJNTVCLYFGIC-MRXNPFEDSA-N 1 0 415.494 -0.258 20 0 HBADRO CNC(=O)C1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000744403287 1070057860 /nfs/dbraw/zinc/05/78/60/1070057860.db2.gz OMJJOGLHOOGONY-CABCVRRESA-N 1 0 401.529 -0.171 20 0 HBADRO CNC(=O)C1([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000744403288 1070057948 /nfs/dbraw/zinc/05/79/48/1070057948.db2.gz OMJJOGLHOOGONY-GJZGRUSLSA-N 1 0 401.529 -0.171 20 0 HBADRO CNC(=O)C1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000744403289 1070057814 /nfs/dbraw/zinc/05/78/14/1070057814.db2.gz OMJJOGLHOOGONY-HUUCEWRRSA-N 1 0 401.529 -0.171 20 0 HBADRO CNC(=O)C1([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000744403290 1070057788 /nfs/dbraw/zinc/05/77/88/1070057788.db2.gz OMJJOGLHOOGONY-LSDHHAIUSA-N 1 0 401.529 -0.171 20 0 HBADRO COC(=O)CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCOCC1 ZINC000744427764 1070058578 /nfs/dbraw/zinc/05/85/78/1070058578.db2.gz XYVMVIZCEOEYAX-UHFFFAOYSA-N 1 0 407.471 -0.132 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000744470738 1070058983 /nfs/dbraw/zinc/05/89/83/1070058983.db2.gz MQMLMDOWONTFGP-UHFFFAOYSA-N 1 0 411.484 -0.512 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000744680220 1070065152 /nfs/dbraw/zinc/06/51/52/1070065152.db2.gz NMONESBDDPGSQF-UHFFFAOYSA-N 1 0 417.466 -0.222 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000744735601 1070066648 /nfs/dbraw/zinc/06/66/48/1070066648.db2.gz VNCLFYOKXKUSMD-UHFFFAOYSA-N 1 0 401.489 -0.769 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000744852357 1070067676 /nfs/dbraw/zinc/06/76/76/1070067676.db2.gz WTIGOJIVJIAHFJ-UHFFFAOYSA-N 1 0 419.482 -0.279 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000744905501 1070068875 /nfs/dbraw/zinc/06/88/75/1070068875.db2.gz ZZRGSVNGAZWNFJ-UHFFFAOYSA-N 1 0 401.489 -0.547 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cn1C ZINC000744915406 1070069041 /nfs/dbraw/zinc/06/90/41/1070069041.db2.gz YNKJSULLLNJABV-UHFFFAOYSA-N 1 0 415.516 -0.461 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000744925473 1070069000 /nfs/dbraw/zinc/06/90/00/1070069000.db2.gz ONMIJSNPQRBMHT-UHFFFAOYSA-N 1 0 414.470 -0.483 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cn(CC(N)=O)nn3)cc2)CC1 ZINC000745468493 1070082777 /nfs/dbraw/zinc/08/27/77/1070082777.db2.gz PCYQJKQVIHWBRU-UHFFFAOYSA-N 1 0 415.454 -0.299 20 0 HBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000745469368 1070082729 /nfs/dbraw/zinc/08/27/29/1070082729.db2.gz VZTVYRQRRFRIQJ-UHFFFAOYSA-N 1 0 414.466 -0.037 20 0 HBADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000745471111 1070083712 /nfs/dbraw/zinc/08/37/12/1070083712.db2.gz STAQUNUGNHNODD-UHFFFAOYSA-N 1 0 414.466 -0.037 20 0 HBADRO NC(=O)Cn1cc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000745471138 1070083332 /nfs/dbraw/zinc/08/33/32/1070083332.db2.gz VAKLONPOPRYROV-UHFFFAOYSA-N 1 0 400.439 -0.168 20 0 HBADRO C[C@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745471233 1070083616 /nfs/dbraw/zinc/08/36/16/1070083616.db2.gz YLVHAQMWJNPFFA-DZGCQCFKSA-N 1 0 400.439 -0.301 20 0 HBADRO C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745471234 1070083788 /nfs/dbraw/zinc/08/37/88/1070083788.db2.gz YLVHAQMWJNPFFA-HIFRSBDPSA-N 1 0 400.439 -0.301 20 0 HBADRO C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745471235 1070083425 /nfs/dbraw/zinc/08/34/25/1070083425.db2.gz YLVHAQMWJNPFFA-UKRRQHHQSA-N 1 0 400.439 -0.301 20 0 HBADRO C[C@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000745471236 1070083261 /nfs/dbraw/zinc/08/32/61/1070083261.db2.gz YLVHAQMWJNPFFA-ZFWWWQNUSA-N 1 0 400.439 -0.301 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000745790046 1070091044 /nfs/dbraw/zinc/09/10/44/1070091044.db2.gz TWRIMGOWJKSTFK-INIZCTEOSA-N 1 0 405.565 -0.779 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000745790060 1070091100 /nfs/dbraw/zinc/09/11/00/1070091100.db2.gz TWRIMGOWJKSTFK-MRXNPFEDSA-N 1 0 405.565 -0.779 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745790174 1070091174 /nfs/dbraw/zinc/09/11/74/1070091174.db2.gz VAKWVOWDTGXQKC-UHFFFAOYSA-N 1 0 418.560 -0.065 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000745824189 1070091815 /nfs/dbraw/zinc/09/18/15/1070091815.db2.gz HOJVKPBXJYOPCR-GOSISDBHSA-N 1 0 411.547 -0.280 20 0 HBADRO COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000745824190 1070091872 /nfs/dbraw/zinc/09/18/72/1070091872.db2.gz HOJVKPBXJYOPCR-SFHVURJKSA-N 1 0 411.547 -0.280 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000745860287 1070092118 /nfs/dbraw/zinc/09/21/18/1070092118.db2.gz ODECFGIFDIJHDR-KRWDZBQOSA-N 1 0 418.608 -0.216 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000745860288 1070092684 /nfs/dbraw/zinc/09/26/84/1070092684.db2.gz ODECFGIFDIJHDR-QGZVFWFLSA-N 1 0 418.608 -0.216 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cc2)CC1 ZINC000746015391 1070094974 /nfs/dbraw/zinc/09/49/74/1070094974.db2.gz SVIPFLAJRNHJOJ-UHFFFAOYSA-N 1 0 420.495 -0.218 20 0 HBADRO CC[NH+]1CCN(CC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000746131246 1070097021 /nfs/dbraw/zinc/09/70/21/1070097021.db2.gz RCRIOUMXDPDPGW-UHFFFAOYSA-N 1 0 405.524 -0.083 20 0 HBADRO CC(C)[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000746132137 1070096864 /nfs/dbraw/zinc/09/68/64/1070096864.db2.gz NORJRLWWIYWMAS-INIZCTEOSA-N 1 0 421.585 -0.232 20 0 HBADRO CC(C)[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000746132138 1070097081 /nfs/dbraw/zinc/09/70/81/1070097081.db2.gz NORJRLWWIYWMAS-MRXNPFEDSA-N 1 0 421.585 -0.232 20 0 HBADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000746132167 1070096979 /nfs/dbraw/zinc/09/69/79/1070096979.db2.gz PHWAGHMKLLUGKO-CABCVRRESA-N 1 0 409.574 -0.232 20 0 HBADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000746132168 1070096892 /nfs/dbraw/zinc/09/68/92/1070096892.db2.gz PHWAGHMKLLUGKO-GJZGRUSLSA-N 1 0 409.574 -0.232 20 0 HBADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000746132169 1070097591 /nfs/dbraw/zinc/09/75/91/1070097591.db2.gz PHWAGHMKLLUGKO-HUUCEWRRSA-N 1 0 409.574 -0.232 20 0 HBADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+](CC)CC ZINC000746132170 1070097584 /nfs/dbraw/zinc/09/75/84/1070097584.db2.gz PHWAGHMKLLUGKO-LSDHHAIUSA-N 1 0 409.574 -0.232 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000746132348 1070096968 /nfs/dbraw/zinc/09/69/68/1070096968.db2.gz XYWPIQMRFYSMHB-KFWWJZLASA-N 1 0 407.558 -0.480 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746132349 1070096818 /nfs/dbraw/zinc/09/68/18/1070096818.db2.gz XYWPIQMRFYSMHB-QLFBSQMISA-N 1 0 407.558 -0.480 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746132350 1070096777 /nfs/dbraw/zinc/09/67/77/1070096777.db2.gz XYWPIQMRFYSMHB-RBSFLKMASA-N 1 0 407.558 -0.480 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000746132351 1070097000 /nfs/dbraw/zinc/09/70/00/1070097000.db2.gz XYWPIQMRFYSMHB-ZNMIVQPWSA-N 1 0 407.558 -0.480 20 0 HBADRO CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746246406 1070100938 /nfs/dbraw/zinc/10/09/38/1070100938.db2.gz FPEPAFNGCCMNKZ-UHFFFAOYSA-N 1 0 423.495 -0.005 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1=O ZINC000746256819 1070101774 /nfs/dbraw/zinc/10/17/74/1070101774.db2.gz YHGCCKYQTHWLEX-CYBMUJFWSA-N 1 0 410.487 -0.223 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1=O ZINC000746256834 1070101747 /nfs/dbraw/zinc/10/17/47/1070101747.db2.gz YHGCCKYQTHWLEX-ZDUSSCGKSA-N 1 0 410.487 -0.223 20 0 HBADRO CCOC(=O)C(=O)N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000746277173 1070102624 /nfs/dbraw/zinc/10/26/24/1070102624.db2.gz GECFBJUQTCZRFY-UHFFFAOYSA-N 1 0 403.483 -0.172 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000746285446 1070101769 /nfs/dbraw/zinc/10/17/69/1070101769.db2.gz ORSJAIYMDRXPAX-FQEVSTJZSA-N 1 0 403.483 -0.126 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000746285467 1070101788 /nfs/dbraw/zinc/10/17/88/1070101788.db2.gz ORSJAIYMDRXPAX-HXUWFJFHSA-N 1 0 403.483 -0.126 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000746377711 1070108671 /nfs/dbraw/zinc/10/86/71/1070108671.db2.gz OOLRKJVTTKDGQE-KRWDZBQOSA-N 1 0 404.515 -0.219 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000746377713 1070108566 /nfs/dbraw/zinc/10/85/66/1070108566.db2.gz OOLRKJVTTKDGQE-QGZVFWFLSA-N 1 0 404.515 -0.219 20 0 HBADRO Cn1cc(C[C@H]2CC(=O)N(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000746381068 1070108421 /nfs/dbraw/zinc/10/84/21/1070108421.db2.gz VULPXPOKPHEEBI-KRWDZBQOSA-N 1 0 402.499 -0.465 20 0 HBADRO Cn1cc(C[C@@H]2CC(=O)N(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000746381070 1070109533 /nfs/dbraw/zinc/10/95/33/1070109533.db2.gz VULPXPOKPHEEBI-QGZVFWFLSA-N 1 0 402.499 -0.465 20 0 HBADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000746451723 1070116398 /nfs/dbraw/zinc/11/63/98/1070116398.db2.gz QNMRTVLLBRLWNM-GFCCVEGCSA-N 1 0 401.489 -0.585 20 0 HBADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000746451728 1070116061 /nfs/dbraw/zinc/11/60/61/1070116061.db2.gz QNMRTVLLBRLWNM-LBPRGKRZSA-N 1 0 401.489 -0.585 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 ZINC000746472220 1070118734 /nfs/dbraw/zinc/11/87/34/1070118734.db2.gz IEPYGGFRKGBVHW-UHFFFAOYSA-N 1 0 424.523 -0.289 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCC2)CC1 ZINC000746472224 1070118752 /nfs/dbraw/zinc/11/87/52/1070118752.db2.gz IFKIKBYGJOPYJP-UHFFFAOYSA-N 1 0 413.500 -0.488 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(C(N)=O)CCCC3)C2=O)cc1 ZINC000746472864 1070119442 /nfs/dbraw/zinc/11/94/42/1070119442.db2.gz PSPLLEFHGJXOEB-GOSISDBHSA-N 1 0 403.439 -0.119 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(C(N)=O)CCCC3)C2=O)cc1 ZINC000746472867 1070119529 /nfs/dbraw/zinc/11/95/29/1070119529.db2.gz PSPLLEFHGJXOEB-SFHVURJKSA-N 1 0 403.439 -0.119 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C3(C(N)=O)CCCC3)CC2)cc1 ZINC000746473380 1070120472 /nfs/dbraw/zinc/12/04/72/1070120472.db2.gz SMOOXNNRVGHZGU-UHFFFAOYSA-N 1 0 424.523 -0.084 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCCC1 ZINC000746473409 1070120518 /nfs/dbraw/zinc/12/05/18/1070120518.db2.gz UKKAQBRZBGPTKH-UHFFFAOYSA-N 1 0 424.523 -0.289 20 0 HBADRO COCCN(C(=O)C[NH2+]C1(C(N)=O)CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000746475454 1070120464 /nfs/dbraw/zinc/12/04/64/1070120464.db2.gz LPGYZGWVIFIGBU-UHFFFAOYSA-N 1 0 424.502 -0.446 20 0 HBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(C(N)=O)CCCC3)C2=O)c1 ZINC000746475570 1070120537 /nfs/dbraw/zinc/12/05/37/1070120537.db2.gz QNDTWANBDRBBCG-GOSISDBHSA-N 1 0 403.439 -0.119 20 0 HBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(C(N)=O)CCCC3)C2=O)c1 ZINC000746475573 1070120578 /nfs/dbraw/zinc/12/05/78/1070120578.db2.gz QNDTWANBDRBBCG-SFHVURJKSA-N 1 0 403.439 -0.119 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C2=O)cc1 ZINC000746494200 1070204266 /nfs/dbraw/zinc/20/42/66/1070204266.db2.gz JJZZQUHMRNQRDA-AUUYWEPGSA-N 1 0 405.455 -0.017 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C2=O)cc1 ZINC000746494201 1070204050 /nfs/dbraw/zinc/20/40/50/1070204050.db2.gz JJZZQUHMRNQRDA-KUHUBIRLSA-N 1 0 405.455 -0.017 20 0 HBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C2=O)c1 ZINC000746496222 1070205739 /nfs/dbraw/zinc/20/57/39/1070205739.db2.gz YTGVHZWVBJOWIF-AUUYWEPGSA-N 1 0 405.455 -0.017 20 0 HBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C2=O)c1 ZINC000746496226 1070205623 /nfs/dbraw/zinc/20/56/23/1070205623.db2.gz YTGVHZWVBJOWIF-KUHUBIRLSA-N 1 0 405.455 -0.017 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000746759681 1070421898 /nfs/dbraw/zinc/42/18/98/1070421898.db2.gz APYZVINNSXFQMC-INIZCTEOSA-N 1 0 406.549 -0.209 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000746759684 1070421797 /nfs/dbraw/zinc/42/17/97/1070421797.db2.gz APYZVINNSXFQMC-MRXNPFEDSA-N 1 0 406.549 -0.209 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801728 1070435560 /nfs/dbraw/zinc/43/55/60/1070435560.db2.gz VFQVXXMVRZGBJD-CVEARBPZSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801730 1070435415 /nfs/dbraw/zinc/43/54/15/1070435415.db2.gz VFQVXXMVRZGBJD-HOTGVXAUSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801732 1070436536 /nfs/dbraw/zinc/43/65/36/1070436536.db2.gz VFQVXXMVRZGBJD-HZPDHXFCSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801734 1070436365 /nfs/dbraw/zinc/43/63/65/1070436365.db2.gz VFQVXXMVRZGBJD-JKSUJKDBSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746802244 1070435584 /nfs/dbraw/zinc/43/55/84/1070435584.db2.gz XJJZIOYYSIUFLO-CVEARBPZSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746802245 1070435446 /nfs/dbraw/zinc/43/54/46/1070435446.db2.gz XJJZIOYYSIUFLO-HOTGVXAUSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746802248 1070435376 /nfs/dbraw/zinc/43/53/76/1070435376.db2.gz XJJZIOYYSIUFLO-HZPDHXFCSA-N 1 0 415.450 -0.344 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746802251 1070435391 /nfs/dbraw/zinc/43/53/91/1070435391.db2.gz XJJZIOYYSIUFLO-JKSUJKDBSA-N 1 0 415.450 -0.344 20 0 HBADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)cnc21 ZINC000746913568 1070473313 /nfs/dbraw/zinc/47/33/13/1070473313.db2.gz FHHQCBTVRVDXBC-UHFFFAOYSA-N 1 0 401.423 -0.066 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000746942239 1070482756 /nfs/dbraw/zinc/48/27/56/1070482756.db2.gz FLNXBWVXRXAANB-UHFFFAOYSA-N 1 0 417.466 -0.222 20 0 HBADRO Cn1c(=O)c2cc(C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)cnc2n(C)c1=O ZINC000746944872 1070487874 /nfs/dbraw/zinc/48/78/74/1070487874.db2.gz VYJKURXOFPFLHV-UHFFFAOYSA-N 1 0 415.450 -0.468 20 0 HBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747008712 1070497395 /nfs/dbraw/zinc/49/73/95/1070497395.db2.gz WUXMCWBIUOQSHH-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO Cn1c(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc(=O)n(C)c1=O ZINC000747092917 1070519684 /nfs/dbraw/zinc/51/96/84/1070519684.db2.gz FTERKVFDGRYUIQ-AWEZNQCLSA-N 1 0 423.514 -0.063 20 0 HBADRO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc(=O)n(C)c1=O ZINC000747092918 1070519767 /nfs/dbraw/zinc/51/97/67/1070519767.db2.gz FTERKVFDGRYUIQ-CQSZACIVSA-N 1 0 423.514 -0.063 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232581 1070592669 /nfs/dbraw/zinc/59/26/69/1070592669.db2.gz ZJRMIVXJIPFWIJ-CABCVRRESA-N 1 0 412.512 -0.361 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232582 1070592744 /nfs/dbraw/zinc/59/27/44/1070592744.db2.gz ZJRMIVXJIPFWIJ-GJZGRUSLSA-N 1 0 412.512 -0.361 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232583 1070592932 /nfs/dbraw/zinc/59/29/32/1070592932.db2.gz ZJRMIVXJIPFWIJ-HUUCEWRRSA-N 1 0 412.512 -0.361 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232584 1070592889 /nfs/dbraw/zinc/59/28/89/1070592889.db2.gz ZJRMIVXJIPFWIJ-LSDHHAIUSA-N 1 0 412.512 -0.361 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000747237131 1070595089 /nfs/dbraw/zinc/59/50/89/1070595089.db2.gz SISYMLPLLCXEFY-CVEARBPZSA-N 1 0 422.507 -0.600 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000747237133 1070595263 /nfs/dbraw/zinc/59/52/63/1070595263.db2.gz SISYMLPLLCXEFY-HOTGVXAUSA-N 1 0 422.507 -0.600 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000747237136 1070595198 /nfs/dbraw/zinc/59/51/98/1070595198.db2.gz SISYMLPLLCXEFY-HZPDHXFCSA-N 1 0 422.507 -0.600 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000747315881 1070634546 /nfs/dbraw/zinc/63/45/46/1070634546.db2.gz BGNXEOVAYPXVGI-UHFFFAOYSA-N 1 0 423.539 -0.081 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000747317112 1070635279 /nfs/dbraw/zinc/63/52/79/1070635279.db2.gz PAPVERGONXGALR-UHFFFAOYSA-N 1 0 409.512 -0.471 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000747317316 1070635269 /nfs/dbraw/zinc/63/52/69/1070635269.db2.gz UKCDJAPEYSYHJB-UHFFFAOYSA-N 1 0 423.539 -0.081 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000747325378 1070635295 /nfs/dbraw/zinc/63/52/95/1070635295.db2.gz IJLOVULBBJZQAK-CABCVRRESA-N 1 0 424.523 -0.236 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000747325379 1070636190 /nfs/dbraw/zinc/63/61/90/1070636190.db2.gz IJLOVULBBJZQAK-GJZGRUSLSA-N 1 0 424.523 -0.236 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000747325380 1070636224 /nfs/dbraw/zinc/63/62/24/1070636224.db2.gz IJLOVULBBJZQAK-HUUCEWRRSA-N 1 0 424.523 -0.236 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000747325381 1070636168 /nfs/dbraw/zinc/63/61/68/1070636168.db2.gz IJLOVULBBJZQAK-LSDHHAIUSA-N 1 0 424.523 -0.236 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000747326545 1070637774 /nfs/dbraw/zinc/63/77/74/1070637774.db2.gz SOJIUMDSQROVPF-CVEARBPZSA-N 1 0 422.507 -0.600 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000747326547 1070637597 /nfs/dbraw/zinc/63/75/97/1070637597.db2.gz SOJIUMDSQROVPF-HOTGVXAUSA-N 1 0 422.507 -0.600 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000747326549 1070637696 /nfs/dbraw/zinc/63/76/96/1070637696.db2.gz SOJIUMDSQROVPF-HZPDHXFCSA-N 1 0 422.507 -0.600 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2c(=O)n(C)c1=O ZINC000747377550 1070685175 /nfs/dbraw/zinc/68/51/75/1070685175.db2.gz YUUNUMSTSXMIPZ-HZSPNIEDSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2c(=O)n(C)c1=O ZINC000747377552 1070685146 /nfs/dbraw/zinc/68/51/46/1070685146.db2.gz YUUNUMSTSXMIPZ-MCIONIFRSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2c(=O)n(C)c1=O ZINC000747377553 1070685207 /nfs/dbraw/zinc/68/52/07/1070685207.db2.gz YUUNUMSTSXMIPZ-MGPQQGTHSA-N 1 0 404.471 -0.856 20 0 HBADRO Cn1c2ncn(CC(=O)N3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2c(=O)n(C)c1=O ZINC000747377554 1070685222 /nfs/dbraw/zinc/68/52/22/1070685222.db2.gz YUUNUMSTSXMIPZ-RDBSUJKOSA-N 1 0 404.471 -0.856 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2S1(=O)=O ZINC000747412832 1070703191 /nfs/dbraw/zinc/70/31/91/1070703191.db2.gz VHOKUEAGEKLDLS-UHFFFAOYSA-N 1 0 411.480 -0.336 20 0 HBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000747562768 1070757353 /nfs/dbraw/zinc/75/73/53/1070757353.db2.gz OUZZNXZOINAMAE-UHFFFAOYSA-N 1 0 413.500 -0.369 20 0 HBADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000747578757 1070767273 /nfs/dbraw/zinc/76/72/73/1070767273.db2.gz ACFJRVHAGIFODY-HNNXBMFYSA-N 1 0 405.480 -0.104 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000747578758 1070767186 /nfs/dbraw/zinc/76/71/86/1070767186.db2.gz ACFJRVHAGIFODY-OAHLLOKOSA-N 1 0 405.480 -0.104 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000747580214 1070768569 /nfs/dbraw/zinc/76/85/69/1070768569.db2.gz GBPRKNNBURKMRJ-DLBZAZTESA-N 1 0 418.560 -0.068 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000747580216 1070768325 /nfs/dbraw/zinc/76/83/25/1070768325.db2.gz GBPRKNNBURKMRJ-IAGOWNOFSA-N 1 0 418.560 -0.068 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000747580219 1070768594 /nfs/dbraw/zinc/76/85/94/1070768594.db2.gz GBPRKNNBURKMRJ-IRXDYDNUSA-N 1 0 418.560 -0.068 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000747580221 1070768627 /nfs/dbraw/zinc/76/86/27/1070768627.db2.gz GBPRKNNBURKMRJ-SJORKVTESA-N 1 0 418.560 -0.068 20 0 HBADRO CC(C)OCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000747585202 1070769684 /nfs/dbraw/zinc/76/96/84/1070769684.db2.gz QGHBBQHUFMPJIM-UHFFFAOYSA-N 1 0 406.549 -0.163 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000747617014 1070788119 /nfs/dbraw/zinc/78/81/19/1070788119.db2.gz NOFHECHOMATUNN-BMFZPTHFSA-N 1 0 410.496 -0.017 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000747617016 1070788082 /nfs/dbraw/zinc/78/80/82/1070788082.db2.gz NOFHECHOMATUNN-FVQBIDKESA-N 1 0 410.496 -0.017 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000747617018 1070787959 /nfs/dbraw/zinc/78/79/59/1070787959.db2.gz NOFHECHOMATUNN-KBMXLJTQSA-N 1 0 410.496 -0.017 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000747617019 1070788166 /nfs/dbraw/zinc/78/81/66/1070788166.db2.gz NOFHECHOMATUNN-VNQPRFMTSA-N 1 0 410.496 -0.017 20 0 HBADRO Nc1c(N(CCO)C[C@@H](O)C[NH+]2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000747669650 1070796954 /nfs/dbraw/zinc/79/69/54/1070796954.db2.gz OCCHBBYJCLZRAU-INIZCTEOSA-N 1 0 403.483 -0.165 20 0 HBADRO Nc1c(N(CCO)C[C@H](O)C[NH+]2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000747669655 1070797261 /nfs/dbraw/zinc/79/72/61/1070797261.db2.gz OCCHBBYJCLZRAU-MRXNPFEDSA-N 1 0 403.483 -0.165 20 0 HBADRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000747749852 1070822118 /nfs/dbraw/zinc/82/21/18/1070822118.db2.gz ZOXUQYDHSGIOCK-UHFFFAOYSA-N 1 0 411.553 -0.076 20 0 HBADRO NC(=O)[C@H]1CN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCO1 ZINC000747801330 1070832553 /nfs/dbraw/zinc/83/25/53/1070832553.db2.gz PSBOBMMHFCNZQL-OXQOHEQNSA-N 1 0 401.467 -0.283 20 0 HBADRO NC(=O)[C@H]1CN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCO1 ZINC000747801336 1070832189 /nfs/dbraw/zinc/83/21/89/1070832189.db2.gz PSBOBMMHFCNZQL-UZLBHIALSA-N 1 0 401.467 -0.283 20 0 HBADRO CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747995733 1070904255 /nfs/dbraw/zinc/90/42/55/1070904255.db2.gz MKPMIKWECFCOIX-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000748105938 1068298792 /nfs/dbraw/zinc/29/87/92/1068298792.db2.gz FTFKUWXNIIJWIG-INIZCTEOSA-N 1 0 405.565 -0.780 20 0 HBADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000748105946 1068302001 /nfs/dbraw/zinc/30/20/01/1068302001.db2.gz FTFKUWXNIIJWIG-MRXNPFEDSA-N 1 0 405.565 -0.780 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000749980036 1068994582 /nfs/dbraw/zinc/99/45/82/1068994582.db2.gz GTMXRKPDHTUAJE-KRWDZBQOSA-N 1 0 409.512 -0.271 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000749980037 1068994288 /nfs/dbraw/zinc/99/42/88/1068994288.db2.gz GTMXRKPDHTUAJE-QGZVFWFLSA-N 1 0 409.512 -0.271 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@H](N4CC(=O)Nc5ccccc54)C3)c2c(=O)n(C)c1=O ZINC000759901926 1069169875 /nfs/dbraw/zinc/16/98/75/1069169875.db2.gz OASZPJBFWSVIFG-AWEZNQCLSA-N 1 0 423.477 -0.033 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@H](N4CC(=O)Nc5ccccc54)C3)c2c(=O)n(C)c1=O ZINC000759901930 1069169549 /nfs/dbraw/zinc/16/95/49/1069169549.db2.gz OASZPJBFWSVIFG-CQSZACIVSA-N 1 0 423.477 -0.033 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)NCC[NH+](C)C ZINC000759904416 1069169950 /nfs/dbraw/zinc/16/99/50/1069169950.db2.gz QCJSUGGNCXBXGA-GOEBONIOSA-N 1 0 411.528 -0.075 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)NCC[NH+](C)C ZINC000759904417 1069169660 /nfs/dbraw/zinc/16/96/60/1069169660.db2.gz QCJSUGGNCXBXGA-HOCLYGCPSA-N 1 0 411.528 -0.075 20 0 HBADRO CC(C)C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NCC[NH+](C)C ZINC000759905492 1069170631 /nfs/dbraw/zinc/17/06/31/1069170631.db2.gz WEMWTBWKJNOZOK-HNNXBMFYSA-N 1 0 411.528 -0.307 20 0 HBADRO COC[C@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)C(N)=O ZINC000760081376 1071146067 /nfs/dbraw/zinc/14/60/67/1071146067.db2.gz WWGSWQFQYQJLNZ-HNNXBMFYSA-N 1 0 400.501 -0.545 20 0 HBADRO COC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C)C(N)=O ZINC000760081378 1071146080 /nfs/dbraw/zinc/14/60/80/1071146080.db2.gz WWGSWQFQYQJLNZ-OAHLLOKOSA-N 1 0 400.501 -0.545 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000760122083 1071544408 /nfs/dbraw/zinc/54/44/08/1071544408.db2.gz XHSIUNNINBFPKB-DLBZAZTESA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000760122084 1071544435 /nfs/dbraw/zinc/54/44/35/1071544435.db2.gz XHSIUNNINBFPKB-IAGOWNOFSA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000760122085 1071544162 /nfs/dbraw/zinc/54/41/62/1071544162.db2.gz XHSIUNNINBFPKB-IRXDYDNUSA-N 1 0 403.483 -0.084 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000760122086 1071544343 /nfs/dbraw/zinc/54/43/43/1071544343.db2.gz XHSIUNNINBFPKB-SJORKVTESA-N 1 0 403.483 -0.084 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000760122101 1071544294 /nfs/dbraw/zinc/54/42/94/1071544294.db2.gz XUMFXOAYRQEGRC-DLBZAZTESA-N 1 0 403.483 -0.084 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000760122102 1071544815 /nfs/dbraw/zinc/54/48/15/1071544815.db2.gz XUMFXOAYRQEGRC-IAGOWNOFSA-N 1 0 403.483 -0.084 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000760122103 1071545086 /nfs/dbraw/zinc/54/50/86/1071545086.db2.gz XUMFXOAYRQEGRC-IRXDYDNUSA-N 1 0 403.483 -0.084 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000760122104 1071545044 /nfs/dbraw/zinc/54/50/44/1071545044.db2.gz XUMFXOAYRQEGRC-SJORKVTESA-N 1 0 403.483 -0.084 20 0 HBADRO Cn1c2c(nc(Br)n2CC(=O)NCCC[NH+](C)C)c(=O)n(C)c1=O ZINC000760189720 1069171185 /nfs/dbraw/zinc/17/11/85/1069171185.db2.gz RQBYEYNHZCZTGZ-UHFFFAOYSA-N 1 0 401.265 -0.736 20 0 HBADRO CS[C@@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H]1[NH+](C)C ZINC000760207759 1069173434 /nfs/dbraw/zinc/17/34/34/1069173434.db2.gz FNQIEMHECDFIGH-FPMFFAJLSA-N 1 0 402.542 -0.344 20 0 HBADRO CS[C@@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H]1[NH+](C)C ZINC000760207760 1069173543 /nfs/dbraw/zinc/17/35/43/1069173543.db2.gz FNQIEMHECDFIGH-IACUBPJLSA-N 1 0 402.542 -0.344 20 0 HBADRO CS[C@@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H]1[NH+](C)C ZINC000760207761 1069173429 /nfs/dbraw/zinc/17/34/29/1069173429.db2.gz FNQIEMHECDFIGH-KWCYVHTRSA-N 1 0 402.542 -0.344 20 0 HBADRO CS[C@@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@H]1[NH+](C)C ZINC000760207762 1069173285 /nfs/dbraw/zinc/17/32/85/1069173285.db2.gz FNQIEMHECDFIGH-MRVWCRGKSA-N 1 0 402.542 -0.344 20 0 HBADRO C[NH+]1CCC(CNC(=S)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000760467135 1069372508 /nfs/dbraw/zinc/37/25/08/1069372508.db2.gz QGYGAPLEVCXELA-UHFFFAOYSA-N 1 0 405.590 -0.603 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)CC1 ZINC000760477297 1069372458 /nfs/dbraw/zinc/37/24/58/1069372458.db2.gz XSGJJPGSBOAHGN-UHFFFAOYSA-N 1 0 418.633 -0.688 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760784243 1070816044 /nfs/dbraw/zinc/81/60/44/1070816044.db2.gz AHEDFBPVRVYBBE-AWEZNQCLSA-N 1 0 400.501 -0.187 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760784247 1070815574 /nfs/dbraw/zinc/81/55/74/1070815574.db2.gz AHEDFBPVRVYBBE-CQSZACIVSA-N 1 0 400.501 -0.187 20 0 HBADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760792603 1070828831 /nfs/dbraw/zinc/82/88/31/1070828831.db2.gz BMLZNGGNUCLMLC-UHFFFAOYSA-N 1 0 400.501 -0.187 20 0 HBADRO C[C@@H](CNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C[NH+]1CCN(C)CC1 ZINC000760795958 1070832668 /nfs/dbraw/zinc/83/26/68/1070832668.db2.gz KXDMETMGAYIDRN-HNNXBMFYSA-N 1 0 413.544 -0.102 20 0 HBADRO C[C@H](CNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C[NH+]1CCN(C)CC1 ZINC000760795959 1070833303 /nfs/dbraw/zinc/83/33/03/1070833303.db2.gz KXDMETMGAYIDRN-OAHLLOKOSA-N 1 0 413.544 -0.102 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1=O ZINC000760797268 1070833608 /nfs/dbraw/zinc/83/36/08/1070833608.db2.gz WOGNISKBLJVHBD-CVEARBPZSA-N 1 0 412.512 -0.044 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1=O ZINC000760797269 1070833954 /nfs/dbraw/zinc/83/39/54/1070833954.db2.gz WOGNISKBLJVHBD-HOTGVXAUSA-N 1 0 412.512 -0.044 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1=O ZINC000760797270 1070833912 /nfs/dbraw/zinc/83/39/12/1070833912.db2.gz WOGNISKBLJVHBD-HZPDHXFCSA-N 1 0 412.512 -0.044 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1=O ZINC000760797271 1070833697 /nfs/dbraw/zinc/83/36/97/1070833697.db2.gz WOGNISKBLJVHBD-JKSUJKDBSA-N 1 0 412.512 -0.044 20 0 HBADRO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000760851770 1070871472 /nfs/dbraw/zinc/87/14/72/1070871472.db2.gz CGZBJTQGOFUVRF-UHFFFAOYSA-N 1 0 402.542 -0.264 20 0 HBADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000760880239 1070874347 /nfs/dbraw/zinc/87/43/47/1070874347.db2.gz QXMPDKZCURVVKU-HNNXBMFYSA-N 1 0 401.471 -0.387 20 0 HBADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000760880246 1070874101 /nfs/dbraw/zinc/87/41/01/1070874101.db2.gz QXMPDKZCURVVKU-OAHLLOKOSA-N 1 0 401.471 -0.387 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000760881557 1070873768 /nfs/dbraw/zinc/87/37/68/1070873768.db2.gz WHKLZEVTFKGAGK-IBGZPJMESA-N 1 0 406.531 -0.602 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000760881560 1070874473 /nfs/dbraw/zinc/87/44/73/1070874473.db2.gz WHKLZEVTFKGAGK-LJQANCHMSA-N 1 0 406.531 -0.602 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1=O ZINC000760884653 1070874159 /nfs/dbraw/zinc/87/41/59/1070874159.db2.gz FBYKUVOCWMERHP-UHFFFAOYSA-N 1 0 412.512 -0.176 20 0 HBADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[NH+](C)C ZINC000760884702 1070874139 /nfs/dbraw/zinc/87/41/39/1070874139.db2.gz GBLGLEBULSSDDR-AWEZNQCLSA-N 1 0 414.528 -0.076 20 0 HBADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[NH+](C)C ZINC000760884704 1070874447 /nfs/dbraw/zinc/87/44/47/1070874447.db2.gz GBLGLEBULSSDDR-CQSZACIVSA-N 1 0 414.528 -0.076 20 0 HBADRO CS(=O)(=O)CCn1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1=O ZINC000760889754 1070877150 /nfs/dbraw/zinc/87/71/50/1070877150.db2.gz ULEVPLDHQIDTSN-UHFFFAOYSA-N 1 0 424.523 -0.082 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000760900607 1070883926 /nfs/dbraw/zinc/88/39/26/1070883926.db2.gz GHWVBPXEOODEOW-AWEZNQCLSA-N 1 0 412.512 -0.178 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000760900609 1070883700 /nfs/dbraw/zinc/88/37/00/1070883700.db2.gz GHWVBPXEOODEOW-CQSZACIVSA-N 1 0 412.512 -0.178 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 ZINC000760905809 1070884130 /nfs/dbraw/zinc/88/41/30/1070884130.db2.gz GHCKUTSWEHNWIC-AWEZNQCLSA-N 1 0 412.512 -0.226 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 ZINC000760905815 1070884057 /nfs/dbraw/zinc/88/40/57/1070884057.db2.gz GHCKUTSWEHNWIC-CQSZACIVSA-N 1 0 412.512 -0.226 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000760984717 1070899600 /nfs/dbraw/zinc/89/96/00/1070899600.db2.gz NVNXTFXCKPQJFF-UHFFFAOYSA-N 1 0 422.530 -0.242 20 0 HBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)C2=O ZINC000760985169 1070899437 /nfs/dbraw/zinc/89/94/37/1070899437.db2.gz RHZAOLYDHYUACS-UHFFFAOYSA-N 1 0 422.530 -0.386 20 0 HBADRO C[C@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000761068722 1070936831 /nfs/dbraw/zinc/93/68/31/1070936831.db2.gz IQCFRCPAKNLZJN-INIZCTEOSA-N 1 0 410.540 -0.040 20 0 HBADRO C[C@@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000761068723 1070937304 /nfs/dbraw/zinc/93/73/04/1070937304.db2.gz IQCFRCPAKNLZJN-MRXNPFEDSA-N 1 0 410.540 -0.040 20 0 HBADRO COCCN(C(=O)CN1CC[N@H+](C)[C@@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000761070046 1070937602 /nfs/dbraw/zinc/93/76/02/1070937602.db2.gz MXHGEIFWKCTVFH-AWEZNQCLSA-N 1 0 410.519 -0.198 20 0 HBADRO COCCN(C(=O)CN1CC[N@H+](C)[C@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000761070050 1070937269 /nfs/dbraw/zinc/93/72/69/1070937269.db2.gz MXHGEIFWKCTVFH-CQSZACIVSA-N 1 0 410.519 -0.198 20 0 HBADRO C[C@H]1CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000761072886 1070937371 /nfs/dbraw/zinc/93/73/71/1070937371.db2.gz FRHRXMBXVKNQSE-INIZCTEOSA-N 1 0 410.540 -0.040 20 0 HBADRO C[C@@H]1CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000761072889 1070937482 /nfs/dbraw/zinc/93/74/82/1070937482.db2.gz FRHRXMBXVKNQSE-MRXNPFEDSA-N 1 0 410.540 -0.040 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[N@H+](C)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000761082011 1070942921 /nfs/dbraw/zinc/94/29/21/1070942921.db2.gz YHRGMUYZJDBMNF-AWEZNQCLSA-N 1 0 410.519 -0.054 20 0 HBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[N@H+](C)[C@H](C)C2)c(=O)[nH]c1=O ZINC000761082015 1070943043 /nfs/dbraw/zinc/94/30/43/1070943043.db2.gz YHRGMUYZJDBMNF-CQSZACIVSA-N 1 0 410.519 -0.054 20 0 HBADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000761296772 1070988627 /nfs/dbraw/zinc/98/86/27/1070988627.db2.gz ZFDYKQDSHCTMEN-UHFFFAOYSA-N 1 0 417.510 -0.087 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCS(C)(=O)=O ZINC000761751779 1071628162 /nfs/dbraw/zinc/62/81/62/1071628162.db2.gz LHVNMPJHFRESOD-UHFFFAOYSA-N 1 0 405.542 -0.001 20 0 HBADRO CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000761973497 1071658694 /nfs/dbraw/zinc/65/86/94/1071658694.db2.gz NFEINHWIPQXMBG-HNNXBMFYSA-N 1 0 407.558 -0.621 20 0 HBADRO CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000761973500 1071658491 /nfs/dbraw/zinc/65/84/91/1071658491.db2.gz NFEINHWIPQXMBG-OAHLLOKOSA-N 1 0 407.558 -0.621 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1)N1CCOCC1 ZINC000762297994 1071679294 /nfs/dbraw/zinc/67/92/94/1071679294.db2.gz PTPSGKIZXZGFIB-IBGZPJMESA-N 1 0 423.558 -0.184 20 0 HBADRO O=C(CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1)N1CCOCC1 ZINC000762297997 1071679299 /nfs/dbraw/zinc/67/92/99/1071679299.db2.gz PTPSGKIZXZGFIB-LJQANCHMSA-N 1 0 423.558 -0.184 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCCCC1 ZINC000762422193 1071688934 /nfs/dbraw/zinc/68/89/34/1071688934.db2.gz JSHXSDZUOPSPJD-HNNXBMFYSA-N 1 0 406.487 -0.329 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1CCCCC1 ZINC000762422198 1071688784 /nfs/dbraw/zinc/68/87/84/1071688784.db2.gz JSHXSDZUOPSPJD-OAHLLOKOSA-N 1 0 406.487 -0.329 20 0 HBADRO COC(=O)c1cn([C@@H]2CCCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)nn1 ZINC000762459914 1071691156 /nfs/dbraw/zinc/69/11/56/1071691156.db2.gz LOGRMXFWIVITTG-CYBMUJFWSA-N 1 0 405.459 -0.325 20 0 HBADRO COC(=O)c1cn([C@H]2CCCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)nn1 ZINC000762459920 1071690587 /nfs/dbraw/zinc/69/05/87/1071690587.db2.gz LOGRMXFWIVITTG-ZDUSSCGKSA-N 1 0 405.459 -0.325 20 0 HBADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762554209 1071695722 /nfs/dbraw/zinc/69/57/22/1071695722.db2.gz DTEOYTHBVHIMFP-INIZCTEOSA-N 1 0 406.526 -0.155 20 0 HBADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762554229 1071695602 /nfs/dbraw/zinc/69/56/02/1071695602.db2.gz DTEOYTHBVHIMFP-MRXNPFEDSA-N 1 0 406.526 -0.155 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)ccn1 ZINC000762560505 1071695085 /nfs/dbraw/zinc/69/50/85/1071695085.db2.gz FCARGOTYXYRKGU-UHFFFAOYSA-N 1 0 415.516 -0.517 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCO1 ZINC000762618668 1071699818 /nfs/dbraw/zinc/69/98/18/1071699818.db2.gz ANCCJPHYYIVVBU-CABCVRRESA-N 1 0 414.528 -0.231 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCO1 ZINC000762618669 1071699753 /nfs/dbraw/zinc/69/97/53/1071699753.db2.gz ANCCJPHYYIVVBU-GJZGRUSLSA-N 1 0 414.528 -0.231 20 0 HBADRO C[C@@H]1C[N@H+](CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCO1 ZINC000762618673 1071699793 /nfs/dbraw/zinc/69/97/93/1071699793.db2.gz ANCCJPHYYIVVBU-HUUCEWRRSA-N 1 0 414.528 -0.231 20 0 HBADRO C[C@H]1C[N@H+](CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCO1 ZINC000762618677 1071699725 /nfs/dbraw/zinc/69/97/25/1071699725.db2.gz ANCCJPHYYIVVBU-LSDHHAIUSA-N 1 0 414.528 -0.231 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762699497 1071704506 /nfs/dbraw/zinc/70/45/06/1071704506.db2.gz JXCWYBSGTGENCW-GOSISDBHSA-N 1 0 410.496 -0.991 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762699499 1071704431 /nfs/dbraw/zinc/70/44/31/1071704431.db2.gz JXCWYBSGTGENCW-SFHVURJKSA-N 1 0 410.496 -0.991 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000762701124 1071704659 /nfs/dbraw/zinc/70/46/59/1071704659.db2.gz PMBGXWOFOBEXKO-GOSISDBHSA-N 1 0 409.874 -0.603 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000762701131 1071704398 /nfs/dbraw/zinc/70/43/98/1071704398.db2.gz PMBGXWOFOBEXKO-SFHVURJKSA-N 1 0 409.874 -0.603 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000762716267 1071706025 /nfs/dbraw/zinc/70/60/25/1071706025.db2.gz KKRNOILXPDNODS-KRWDZBQOSA-N 1 0 401.460 -0.357 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000762716268 1071706294 /nfs/dbraw/zinc/70/62/94/1071706294.db2.gz KKRNOILXPDNODS-QGZVFWFLSA-N 1 0 401.460 -0.357 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000762717336 1071706060 /nfs/dbraw/zinc/70/60/60/1071706060.db2.gz MHQVERJDSBWQHY-AUUYWEPGSA-N 1 0 423.491 -0.194 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000762717374 1071705961 /nfs/dbraw/zinc/70/59/61/1071705961.db2.gz MHQVERJDSBWQHY-IFXJQAMLSA-N 1 0 423.491 -0.194 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000762717377 1071706169 /nfs/dbraw/zinc/70/61/69/1071706169.db2.gz MHQVERJDSBWQHY-KUHUBIRLSA-N 1 0 423.491 -0.194 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000762717382 1071706268 /nfs/dbraw/zinc/70/62/68/1071706268.db2.gz MHQVERJDSBWQHY-LIRRHRJNSA-N 1 0 423.491 -0.194 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC000762718254 1071706086 /nfs/dbraw/zinc/70/60/86/1071706086.db2.gz OYKGDARTJHEOBF-FDYVUHDOSA-N 1 0 400.479 -0.028 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000762718260 1071706694 /nfs/dbraw/zinc/70/66/94/1071706694.db2.gz OYKGDARTJHEOBF-GOKLQIOXSA-N 1 0 400.479 -0.028 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000762718265 1071706762 /nfs/dbraw/zinc/70/67/62/1071706762.db2.gz OYKGDARTJHEOBF-MDDTWGFSSA-N 1 0 400.479 -0.028 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 ZINC000762718269 1071706601 /nfs/dbraw/zinc/70/66/01/1071706601.db2.gz OYKGDARTJHEOBF-UYVLIOPYSA-N 1 0 400.479 -0.028 20 0 HBADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1=O ZINC000762723627 1071706220 /nfs/dbraw/zinc/70/62/20/1071706220.db2.gz UGOAPWNFUIWHEN-PMACEKPBSA-N 1 0 404.467 -0.047 20 0 HBADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1=O ZINC000762723679 1071705631 /nfs/dbraw/zinc/70/56/31/1071705631.db2.gz UGOAPWNFUIWHEN-UXHICEINSA-N 1 0 404.467 -0.047 20 0 HBADRO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1=O ZINC000762723683 1071706146 /nfs/dbraw/zinc/70/61/46/1071706146.db2.gz UGOAPWNFUIWHEN-VQTJNVASSA-N 1 0 404.467 -0.047 20 0 HBADRO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1=O ZINC000762723686 1071706261 /nfs/dbraw/zinc/70/62/61/1071706261.db2.gz UGOAPWNFUIWHEN-WOJBJXKFSA-N 1 0 404.467 -0.047 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000762876908 1071710154 /nfs/dbraw/zinc/71/01/54/1071710154.db2.gz QGCPMIWAYPEKJN-AWEZNQCLSA-N 1 0 414.484 -0.641 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000762876911 1071710175 /nfs/dbraw/zinc/71/01/75/1071710175.db2.gz QGCPMIWAYPEKJN-CQSZACIVSA-N 1 0 414.484 -0.641 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000762977465 1071722976 /nfs/dbraw/zinc/72/29/76/1071722976.db2.gz GJEJVCVJMQMVOW-AEGPPILISA-N 1 0 410.496 -0.568 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000762977467 1071723048 /nfs/dbraw/zinc/72/30/48/1071723048.db2.gz GJEJVCVJMQMVOW-CFVMTHIKSA-N 1 0 410.496 -0.568 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000762977468 1071723016 /nfs/dbraw/zinc/72/30/16/1071723016.db2.gz GJEJVCVJMQMVOW-NWANDNLSSA-N 1 0 410.496 -0.568 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000762977470 1071723083 /nfs/dbraw/zinc/72/30/83/1071723083.db2.gz GJEJVCVJMQMVOW-QEJZJMRPSA-N 1 0 410.496 -0.568 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000763013680 1071724396 /nfs/dbraw/zinc/72/43/96/1071724396.db2.gz IIFSUNZLFCCZGT-IBGZPJMESA-N 1 0 413.519 -0.131 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000763013683 1071724350 /nfs/dbraw/zinc/72/43/50/1071724350.db2.gz IIFSUNZLFCCZGT-LJQANCHMSA-N 1 0 413.519 -0.131 20 0 HBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763061153 1071727238 /nfs/dbraw/zinc/72/72/38/1071727238.db2.gz XMSIAPMLJPNJCQ-CYBMUJFWSA-N 1 0 402.439 -0.086 20 0 HBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763061154 1071727151 /nfs/dbraw/zinc/72/71/51/1071727151.db2.gz XMSIAPMLJPNJCQ-ZDUSSCGKSA-N 1 0 402.439 -0.086 20 0 HBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000763144423 1071730308 /nfs/dbraw/zinc/73/03/08/1071730308.db2.gz WNDDEFCRQMTQDR-GOSISDBHSA-N 1 0 413.496 -0.360 20 0 HBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000763144425 1071730173 /nfs/dbraw/zinc/73/01/73/1071730173.db2.gz WNDDEFCRQMTQDR-SFHVURJKSA-N 1 0 413.496 -0.360 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000763320711 1071746275 /nfs/dbraw/zinc/74/62/75/1071746275.db2.gz HJVVXMWITUDFDB-CABCVRRESA-N 1 0 403.526 -0.253 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000763320712 1071746615 /nfs/dbraw/zinc/74/66/15/1071746615.db2.gz HJVVXMWITUDFDB-GJZGRUSLSA-N 1 0 403.526 -0.253 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000763320713 1071746783 /nfs/dbraw/zinc/74/67/83/1071746783.db2.gz HJVVXMWITUDFDB-HUUCEWRRSA-N 1 0 403.526 -0.253 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000763320715 1071746631 /nfs/dbraw/zinc/74/66/31/1071746631.db2.gz HJVVXMWITUDFDB-LSDHHAIUSA-N 1 0 403.526 -0.253 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000763428960 1071873816 /nfs/dbraw/zinc/87/38/16/1071873816.db2.gz GIAPLUBZLJWBQF-DLBZAZTESA-N 1 0 417.576 -0.037 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000763428962 1071873707 /nfs/dbraw/zinc/87/37/07/1071873707.db2.gz GIAPLUBZLJWBQF-IAGOWNOFSA-N 1 0 417.576 -0.037 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000763428967 1071873957 /nfs/dbraw/zinc/87/39/57/1071873957.db2.gz GIAPLUBZLJWBQF-IRXDYDNUSA-N 1 0 417.576 -0.037 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000763428969 1071873987 /nfs/dbraw/zinc/87/39/87/1071873987.db2.gz GIAPLUBZLJWBQF-SJORKVTESA-N 1 0 417.576 -0.037 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000763609257 1072153950 /nfs/dbraw/zinc/15/39/50/1072153950.db2.gz WPABHSJOXSGVQL-UHFFFAOYSA-N 1 0 406.867 -0.028 20 0 HBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000763915325 1072209750 /nfs/dbraw/zinc/20/97/50/1072209750.db2.gz PXKHYPMPAXROHJ-INIZCTEOSA-N 1 0 403.508 -0.330 20 0 HBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000763915326 1072209789 /nfs/dbraw/zinc/20/97/89/1072209789.db2.gz PXKHYPMPAXROHJ-MRXNPFEDSA-N 1 0 403.508 -0.330 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763960938 1072213032 /nfs/dbraw/zinc/21/30/32/1072213032.db2.gz TUCHFGPZKQYASV-INIZCTEOSA-N 1 0 409.531 -0.086 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763960941 1072213630 /nfs/dbraw/zinc/21/36/30/1072213630.db2.gz TUCHFGPZKQYASV-MRXNPFEDSA-N 1 0 409.531 -0.086 20 0 HBADRO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764076055 1068980825 /nfs/dbraw/zinc/98/08/25/1068980825.db2.gz PQAKQWOPWYCHBL-DOTOQJQBSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764076057 1068980720 /nfs/dbraw/zinc/98/07/20/1068980720.db2.gz PQAKQWOPWYCHBL-NVXWUHKLSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764076061 1068980619 /nfs/dbraw/zinc/98/06/19/1068980619.db2.gz PQAKQWOPWYCHBL-RDJZCZTQSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764076065 1068980641 /nfs/dbraw/zinc/98/06/41/1068980641.db2.gz PQAKQWOPWYCHBL-WBVHZDCISA-N 1 0 407.540 -0.032 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)ccc2oc1=O ZINC000764294374 1068987079 /nfs/dbraw/zinc/98/70/79/1068987079.db2.gz GXZZXLFXIASWHN-CYBMUJFWSA-N 1 0 417.422 -0.242 20 0 HBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)ccc2oc1=O ZINC000764294380 1068987202 /nfs/dbraw/zinc/98/72/02/1068987202.db2.gz GXZZXLFXIASWHN-ZDUSSCGKSA-N 1 0 417.422 -0.242 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000764335845 1068989634 /nfs/dbraw/zinc/98/96/34/1068989634.db2.gz GIWCYFWSFJTVRA-UHFFFAOYSA-N 1 0 417.576 -0.683 20 0 HBADRO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764371815 1068989611 /nfs/dbraw/zinc/98/96/11/1068989611.db2.gz LFILGQYYCVBYJY-DLBZAZTESA-N 1 0 417.576 -0.684 20 0 HBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764371821 1068989471 /nfs/dbraw/zinc/98/94/71/1068989471.db2.gz LFILGQYYCVBYJY-IAGOWNOFSA-N 1 0 417.576 -0.684 20 0 HBADRO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764371823 1068989581 /nfs/dbraw/zinc/98/95/81/1068989581.db2.gz LFILGQYYCVBYJY-IRXDYDNUSA-N 1 0 417.576 -0.684 20 0 HBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764371836 1068989409 /nfs/dbraw/zinc/98/94/09/1068989409.db2.gz LFILGQYYCVBYJY-SJORKVTESA-N 1 0 417.576 -0.684 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000764375937 1068990169 /nfs/dbraw/zinc/99/01/69/1068990169.db2.gz ZPJVGMMWFFOMIB-CVEARBPZSA-N 1 0 421.585 -0.088 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000764375938 1068990239 /nfs/dbraw/zinc/99/02/39/1068990239.db2.gz ZPJVGMMWFFOMIB-HOTGVXAUSA-N 1 0 421.585 -0.088 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000764375939 1068990009 /nfs/dbraw/zinc/99/00/09/1068990009.db2.gz ZPJVGMMWFFOMIB-HZPDHXFCSA-N 1 0 421.585 -0.088 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000764375940 1068990145 /nfs/dbraw/zinc/99/01/45/1068990145.db2.gz ZPJVGMMWFFOMIB-JKSUJKDBSA-N 1 0 421.585 -0.088 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000764437386 1068990646 /nfs/dbraw/zinc/99/06/46/1068990646.db2.gz KQUJLQCXNVKHSG-HNNXBMFYSA-N 1 0 410.496 -0.091 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000764437387 1068990945 /nfs/dbraw/zinc/99/09/45/1068990945.db2.gz KQUJLQCXNVKHSG-OAHLLOKOSA-N 1 0 410.496 -0.091 20 0 HBADRO CN(CCCNC(=O)CONC(=[NH2+])[C@@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000764569696 1068992678 /nfs/dbraw/zinc/99/26/78/1068992678.db2.gz BQJQMYACRLCGSB-AWEZNQCLSA-N 1 0 400.457 -0.277 20 0 HBADRO CN(CCCNC(=O)CONC(=[NH2+])[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000764569699 1068992787 /nfs/dbraw/zinc/99/27/87/1068992787.db2.gz BQJQMYACRLCGSB-CQSZACIVSA-N 1 0 400.457 -0.277 20 0 HBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000764606222 1068993330 /nfs/dbraw/zinc/99/33/30/1068993330.db2.gz BUFIYGFCCXJDOB-KRWDZBQOSA-N 1 0 409.508 -0.220 20 0 HBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000764606224 1068993505 /nfs/dbraw/zinc/99/35/05/1068993505.db2.gz BUFIYGFCCXJDOB-QGZVFWFLSA-N 1 0 409.508 -0.220 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000765220487 1069001914 /nfs/dbraw/zinc/00/19/14/1069001914.db2.gz DAXRWLRLVNRYOP-HNNXBMFYSA-N 1 0 417.532 -0.756 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000765220490 1069002021 /nfs/dbraw/zinc/00/20/21/1069002021.db2.gz DAXRWLRLVNRYOP-OAHLLOKOSA-N 1 0 417.532 -0.756 20 0 HBADRO Cc1nonc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2nonc2C)CC1 ZINC000765232972 1069001815 /nfs/dbraw/zinc/00/18/15/1069001815.db2.gz BIJUKVQUSOSIIE-UHFFFAOYSA-N 1 0 420.474 -0.373 20 0 HBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ncccn2)CC1)c1ncccn1 ZINC000765233056 1069002182 /nfs/dbraw/zinc/00/21/82/1069002182.db2.gz CTCQNLMCFOSJGC-UHFFFAOYSA-N 1 0 412.498 -0.176 20 0 HBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cnsn2)CC1)c1cnsn1 ZINC000765234182 1069001853 /nfs/dbraw/zinc/00/18/53/1069001853.db2.gz JGLKPMPTZQVYSJ-UHFFFAOYSA-N 1 0 424.556 -0.053 20 0 HBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765336578 1069004612 /nfs/dbraw/zinc/00/46/12/1069004612.db2.gz JBCGBEAGZMLWOL-DLBZAZTESA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765336579 1069004764 /nfs/dbraw/zinc/00/47/64/1069004764.db2.gz JBCGBEAGZMLWOL-IAGOWNOFSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765336580 1069004799 /nfs/dbraw/zinc/00/47/99/1069004799.db2.gz JBCGBEAGZMLWOL-IRXDYDNUSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765336581 1069004691 /nfs/dbraw/zinc/00/46/91/1069004691.db2.gz JBCGBEAGZMLWOL-SJORKVTESA-N 1 0 402.499 -0.115 20 0 HBADRO C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765350873 1069004651 /nfs/dbraw/zinc/00/46/51/1069004651.db2.gz MVCLVIRLZBIOJA-DOTOQJQBSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765350886 1069004830 /nfs/dbraw/zinc/00/48/30/1069004830.db2.gz MVCLVIRLZBIOJA-NVXWUHKLSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765350903 1069004661 /nfs/dbraw/zinc/00/46/61/1069004661.db2.gz MVCLVIRLZBIOJA-RDJZCZTQSA-N 1 0 407.540 -0.032 20 0 HBADRO C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765350918 1069004839 /nfs/dbraw/zinc/00/48/39/1069004839.db2.gz MVCLVIRLZBIOJA-WBVHZDCISA-N 1 0 407.540 -0.032 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC000765728235 1069030519 /nfs/dbraw/zinc/03/05/19/1069030519.db2.gz HMCAMZIIZMTGFB-UHFFFAOYSA-N 1 0 411.484 -0.564 20 0 HBADRO Cn1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000765729225 1069030068 /nfs/dbraw/zinc/03/00/68/1069030068.db2.gz JJMUHRZBJXAMHS-UHFFFAOYSA-N 1 0 409.468 -0.824 20 0 HBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCn2cc[nH]c(=O)c2=O)c1 ZINC000765731370 1069032019 /nfs/dbraw/zinc/03/20/19/1069032019.db2.gz PWBQJVQXWPBUTM-UHFFFAOYSA-N 1 0 409.468 -0.595 20 0 HBADRO COCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000765733725 1069031831 /nfs/dbraw/zinc/03/18/31/1069031831.db2.gz PMHLDGYPHAFERC-UHFFFAOYSA-N 1 0 407.514 -0.474 20 0 HBADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000765828151 1069148794 /nfs/dbraw/zinc/14/87/94/1069148794.db2.gz SMGFOACQGHJUJY-CVEARBPZSA-N 1 0 417.576 -0.166 20 0 HBADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000765828153 1069148860 /nfs/dbraw/zinc/14/88/60/1069148860.db2.gz SMGFOACQGHJUJY-HOTGVXAUSA-N 1 0 417.576 -0.166 20 0 HBADRO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000765902751 1069176266 /nfs/dbraw/zinc/17/62/66/1069176266.db2.gz FZQZOKXGTFFLKC-INIZCTEOSA-N 1 0 417.510 -0.181 20 0 HBADRO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000765902755 1069176137 /nfs/dbraw/zinc/17/61/37/1069176137.db2.gz FZQZOKXGTFFLKC-MRXNPFEDSA-N 1 0 417.510 -0.181 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000766073581 1069471763 /nfs/dbraw/zinc/47/17/63/1069471763.db2.gz XOIRZMKPQPKOAJ-AWEZNQCLSA-N 1 0 412.516 -0.302 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000766073583 1069471828 /nfs/dbraw/zinc/47/18/28/1069471828.db2.gz XOIRZMKPQPKOAJ-CQSZACIVSA-N 1 0 412.516 -0.302 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000766095930 1069483205 /nfs/dbraw/zinc/48/32/05/1069483205.db2.gz WAHDPVRDYMLGGW-GOSISDBHSA-N 1 0 414.510 -0.590 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)CC1 ZINC000766095934 1069483107 /nfs/dbraw/zinc/48/31/07/1069483107.db2.gz WAHDPVRDYMLGGW-SFHVURJKSA-N 1 0 414.510 -0.590 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766142491 1069489924 /nfs/dbraw/zinc/48/99/24/1069489924.db2.gz PBPQOKXDCRCWRU-KRWDZBQOSA-N 1 0 409.531 -0.038 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766142496 1069489900 /nfs/dbraw/zinc/48/99/00/1069489900.db2.gz PBPQOKXDCRCWRU-QGZVFWFLSA-N 1 0 409.531 -0.038 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766144528 1069489862 /nfs/dbraw/zinc/48/98/62/1069489862.db2.gz OAMZISBDBUWXFA-DLBZAZTESA-N 1 0 409.531 -0.086 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766144529 1069489950 /nfs/dbraw/zinc/48/99/50/1069489950.db2.gz OAMZISBDBUWXFA-IAGOWNOFSA-N 1 0 409.531 -0.086 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766144530 1069489937 /nfs/dbraw/zinc/48/99/37/1069489937.db2.gz OAMZISBDBUWXFA-IRXDYDNUSA-N 1 0 409.531 -0.086 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000766144531 1069489886 /nfs/dbraw/zinc/48/98/86/1069489886.db2.gz OAMZISBDBUWXFA-SJORKVTESA-N 1 0 409.531 -0.086 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000766333163 1070086725 /nfs/dbraw/zinc/08/67/25/1070086725.db2.gz GTXWLZKHHYFTBD-HNNXBMFYSA-N 1 0 407.496 -0.751 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000766333165 1070087784 /nfs/dbraw/zinc/08/77/84/1070087784.db2.gz GTXWLZKHHYFTBD-OAHLLOKOSA-N 1 0 407.496 -0.751 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000766335814 1070092186 /nfs/dbraw/zinc/09/21/86/1070092186.db2.gz NSXNPHUMVQUYBK-GDBMZVCRSA-N 1 0 407.496 -0.519 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000766335816 1070091747 /nfs/dbraw/zinc/09/17/47/1070091747.db2.gz NSXNPHUMVQUYBK-GOEBONIOSA-N 1 0 407.496 -0.519 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000766336091 1070090557 /nfs/dbraw/zinc/09/05/57/1070090557.db2.gz NSXNPHUMVQUYBK-HOCLYGCPSA-N 1 0 407.496 -0.519 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000766336096 1070090504 /nfs/dbraw/zinc/09/05/04/1070090504.db2.gz NSXNPHUMVQUYBK-ZBFHGGJFSA-N 1 0 407.496 -0.519 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000766337704 1070093943 /nfs/dbraw/zinc/09/39/43/1070093943.db2.gz ZSVMYUKERHBREU-HNNXBMFYSA-N 1 0 420.491 -0.404 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000766337710 1070094019 /nfs/dbraw/zinc/09/40/19/1070094019.db2.gz ZSVMYUKERHBREU-OAHLLOKOSA-N 1 0 420.491 -0.404 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000766344580 1070106039 /nfs/dbraw/zinc/10/60/39/1070106039.db2.gz ACGNUQZCDIPADU-MSOLQXFVSA-N 1 0 412.494 -0.128 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000766344581 1070106196 /nfs/dbraw/zinc/10/61/96/1070106196.db2.gz ACGNUQZCDIPADU-QZTJIDSGSA-N 1 0 412.494 -0.128 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000766344582 1070106169 /nfs/dbraw/zinc/10/61/69/1070106169.db2.gz ACGNUQZCDIPADU-ROUUACIJSA-N 1 0 412.494 -0.128 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000766344583 1070105938 /nfs/dbraw/zinc/10/59/38/1070105938.db2.gz ACGNUQZCDIPADU-ZWKOTPCHSA-N 1 0 412.494 -0.128 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000766345734 1070106155 /nfs/dbraw/zinc/10/61/55/1070106155.db2.gz NOWAKFKFPMKINI-HNNXBMFYSA-N 1 0 407.496 -0.751 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000766345735 1070106984 /nfs/dbraw/zinc/10/69/84/1070106984.db2.gz NOWAKFKFPMKINI-OAHLLOKOSA-N 1 0 407.496 -0.751 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766373079 1070113761 /nfs/dbraw/zinc/11/37/61/1070113761.db2.gz DYVLXWTXPXTEJY-UHFFFAOYSA-N 1 0 413.519 -0.456 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000766408083 1070114639 /nfs/dbraw/zinc/11/46/39/1070114639.db2.gz VIDGWOXWGYBVAT-UHFFFAOYSA-N 1 0 411.503 -0.606 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766424970 1070116155 /nfs/dbraw/zinc/11/61/55/1070116155.db2.gz JCQQXCRHHHARMI-UHFFFAOYSA-N 1 0 413.519 -0.360 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766441645 1070117750 /nfs/dbraw/zinc/11/77/50/1070117750.db2.gz VUYWWWKHIIWTSI-UHFFFAOYSA-N 1 0 413.519 -0.314 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000766447726 1070117139 /nfs/dbraw/zinc/11/71/39/1070117139.db2.gz NAHDEGGGTIOVKL-HNNXBMFYSA-N 1 0 413.519 -0.850 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000766447727 1070116957 /nfs/dbraw/zinc/11/69/57/1070116957.db2.gz NAHDEGGGTIOVKL-OAHLLOKOSA-N 1 0 413.519 -0.850 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000766457775 1070117847 /nfs/dbraw/zinc/11/78/47/1070117847.db2.gz QWVQKSHHAHLLGO-KBPBESRZSA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000766457776 1070118015 /nfs/dbraw/zinc/11/80/15/1070118015.db2.gz QWVQKSHHAHLLGO-KGLIPLIRSA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000766457777 1070117790 /nfs/dbraw/zinc/11/77/90/1070117790.db2.gz QWVQKSHHAHLLGO-UONOGXRCSA-N 1 0 410.496 -0.179 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000766457778 1070117893 /nfs/dbraw/zinc/11/78/93/1070117893.db2.gz QWVQKSHHAHLLGO-ZIAGYGMSSA-N 1 0 410.496 -0.179 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766466839 1070119755 /nfs/dbraw/zinc/11/97/55/1070119755.db2.gz AAGANRULDVTJMQ-AWEZNQCLSA-N 1 0 411.503 -0.608 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000766466841 1070119639 /nfs/dbraw/zinc/11/96/39/1070119639.db2.gz AAGANRULDVTJMQ-CQSZACIVSA-N 1 0 411.503 -0.608 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000766602025 1070127182 /nfs/dbraw/zinc/12/71/82/1070127182.db2.gz KQJORUBNVYMHKH-INIZCTEOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000766602032 1070127270 /nfs/dbraw/zinc/12/72/70/1070127270.db2.gz KQJORUBNVYMHKH-MRXNPFEDSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000766607052 1070127229 /nfs/dbraw/zinc/12/72/29/1070127229.db2.gz YRXBTMMNRXUDKM-KRWDZBQOSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000766607055 1070127300 /nfs/dbraw/zinc/12/73/00/1070127300.db2.gz YRXBTMMNRXUDKM-QGZVFWFLSA-N 1 0 411.466 -0.029 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000766609232 1070129027 /nfs/dbraw/zinc/12/90/27/1070129027.db2.gz VYJZELQUICALIF-HNNXBMFYSA-N 1 0 412.454 -0.634 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000766609233 1070128953 /nfs/dbraw/zinc/12/89/53/1070128953.db2.gz VYJZELQUICALIF-OAHLLOKOSA-N 1 0 412.454 -0.634 20 0 HBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766765977 1070145762 /nfs/dbraw/zinc/14/57/62/1070145762.db2.gz VVMUKCXQWFYQTI-UHFFFAOYSA-N 1 0 405.517 -0.065 20 0 HBADRO CCC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC000766777452 1070146745 /nfs/dbraw/zinc/14/67/45/1070146745.db2.gz PSSPUICODONHPQ-INIZCTEOSA-N 1 0 406.549 -0.209 20 0 HBADRO CCC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC000766777459 1070146847 /nfs/dbraw/zinc/14/68/47/1070146847.db2.gz PSSPUICODONHPQ-MRXNPFEDSA-N 1 0 406.549 -0.209 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766799959 1070150103 /nfs/dbraw/zinc/15/01/03/1070150103.db2.gz IHUDNGRFNOZODP-UHFFFAOYSA-N 1 0 402.517 -0.690 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766800813 1070150171 /nfs/dbraw/zinc/15/01/71/1070150171.db2.gz RFYLSUXPFLVLMI-UHFFFAOYSA-N 1 0 404.533 -0.444 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766834815 1070153000 /nfs/dbraw/zinc/15/30/00/1070153000.db2.gz QHSUAXBHLVYFBH-HNNXBMFYSA-N 1 0 402.517 -0.692 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766834817 1070152824 /nfs/dbraw/zinc/15/28/24/1070152824.db2.gz QHSUAXBHLVYFBH-OAHLLOKOSA-N 1 0 402.517 -0.692 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)NCC[NH+](C)C ZINC000766849005 1070154604 /nfs/dbraw/zinc/15/46/04/1070154604.db2.gz ZDZABBXXNHTFIR-HNNXBMFYSA-N 1 0 406.549 -0.248 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000766852967 1070154656 /nfs/dbraw/zinc/15/46/56/1070154656.db2.gz GPUXAJSEFFLIBX-AWEZNQCLSA-N 1 0 411.503 -0.432 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000766852975 1070154552 /nfs/dbraw/zinc/15/45/52/1070154552.db2.gz GPUXAJSEFFLIBX-CQSZACIVSA-N 1 0 411.503 -0.432 20 0 HBADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000766947682 1070166859 /nfs/dbraw/zinc/16/68/59/1070166859.db2.gz ZVPPLGIOYYKRRH-CABCVRRESA-N 1 0 401.471 -0.245 20 0 HBADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000766947683 1070166905 /nfs/dbraw/zinc/16/69/05/1070166905.db2.gz ZVPPLGIOYYKRRH-GJZGRUSLSA-N 1 0 401.471 -0.245 20 0 HBADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000766947684 1070166938 /nfs/dbraw/zinc/16/69/38/1070166938.db2.gz ZVPPLGIOYYKRRH-HUUCEWRRSA-N 1 0 401.471 -0.245 20 0 HBADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000766947685 1070166714 /nfs/dbraw/zinc/16/67/14/1070166714.db2.gz ZVPPLGIOYYKRRH-LSDHHAIUSA-N 1 0 401.471 -0.245 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766954661 1070165965 /nfs/dbraw/zinc/16/59/65/1070165965.db2.gz POLABQPNKMCGFM-MSOLQXFVSA-N 1 0 406.531 -0.460 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766954666 1070166041 /nfs/dbraw/zinc/16/60/41/1070166041.db2.gz POLABQPNKMCGFM-QZTJIDSGSA-N 1 0 406.531 -0.460 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766954669 1070166201 /nfs/dbraw/zinc/16/62/01/1070166201.db2.gz POLABQPNKMCGFM-ROUUACIJSA-N 1 0 406.531 -0.460 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766954672 1070166005 /nfs/dbraw/zinc/16/60/05/1070166005.db2.gz POLABQPNKMCGFM-ZWKOTPCHSA-N 1 0 406.531 -0.460 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)S(C)(=O)=O ZINC000766960913 1070166097 /nfs/dbraw/zinc/16/60/97/1070166097.db2.gz ZCDDQALNIHLBBU-CVEARBPZSA-N 1 0 401.533 -0.294 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1)S(C)(=O)=O ZINC000766960918 1070166026 /nfs/dbraw/zinc/16/60/26/1070166026.db2.gz ZCDDQALNIHLBBU-HOTGVXAUSA-N 1 0 401.533 -0.294 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)S(C)(=O)=O ZINC000766960921 1070166125 /nfs/dbraw/zinc/16/61/25/1070166125.db2.gz ZCDDQALNIHLBBU-HZPDHXFCSA-N 1 0 401.533 -0.294 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)S(C)(=O)=O ZINC000766960927 1070165936 /nfs/dbraw/zinc/16/59/36/1070165936.db2.gz ZCDDQALNIHLBBU-JKSUJKDBSA-N 1 0 401.533 -0.294 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000767080184 1070170356 /nfs/dbraw/zinc/17/03/56/1070170356.db2.gz DCKHVFUDOCBCRC-UHFFFAOYSA-N 1 0 412.512 -0.052 20 0 HBADRO CC[NH+](CC)CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000767863323 1070197413 /nfs/dbraw/zinc/19/74/13/1070197413.db2.gz NFYJQHMTZYSIMB-AWEZNQCLSA-N 1 0 402.517 -0.685 20 0 HBADRO CC[NH+](CC)CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000767863324 1070197368 /nfs/dbraw/zinc/19/73/68/1070197368.db2.gz NFYJQHMTZYSIMB-CQSZACIVSA-N 1 0 402.517 -0.685 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767863830 1070197345 /nfs/dbraw/zinc/19/73/45/1070197345.db2.gz BNPHVTIDDTXHGC-AWEZNQCLSA-N 1 0 400.501 -0.716 20 0 HBADRO CC[NH+](CC)CCN(C(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767863831 1070197199 /nfs/dbraw/zinc/19/71/99/1070197199.db2.gz BNPHVTIDDTXHGC-CQSZACIVSA-N 1 0 400.501 -0.716 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767865299 1070197138 /nfs/dbraw/zinc/19/71/38/1070197138.db2.gz IAQYROABXUMLRL-CYBMUJFWSA-N 1 0 400.501 -0.945 20 0 HBADRO CC[NH+](CC)CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767865302 1070197471 /nfs/dbraw/zinc/19/74/71/1070197471.db2.gz IAQYROABXUMLRL-ZDUSSCGKSA-N 1 0 400.501 -0.945 20 0 HBADRO Cn1c2ncn(CC[N@H+](CCO)CCNC(=O)OC(C)(C)C)c2c(=O)n(C)c1=O ZINC000767930910 1070200236 /nfs/dbraw/zinc/20/02/36/1070200236.db2.gz LNRADXPRQVFKCP-UHFFFAOYSA-N 1 0 410.475 -0.747 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767937332 1070200332 /nfs/dbraw/zinc/20/03/32/1070200332.db2.gz BHJHRVJPVWHQPU-CVEARBPZSA-N 1 0 404.533 -0.675 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767937362 1070200118 /nfs/dbraw/zinc/20/01/18/1070200118.db2.gz BHJHRVJPVWHQPU-HOTGVXAUSA-N 1 0 404.533 -0.675 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767937364 1070200276 /nfs/dbraw/zinc/20/02/76/1070200276.db2.gz BHJHRVJPVWHQPU-HZPDHXFCSA-N 1 0 404.533 -0.675 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767937367 1070200184 /nfs/dbraw/zinc/20/01/84/1070200184.db2.gz BHJHRVJPVWHQPU-JKSUJKDBSA-N 1 0 404.533 -0.675 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767941572 1070200306 /nfs/dbraw/zinc/20/03/06/1070200306.db2.gz XTWPFSWFTKEWKC-DLBZAZTESA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767941573 1070200066 /nfs/dbraw/zinc/20/00/66/1070200066.db2.gz XTWPFSWFTKEWKC-IAGOWNOFSA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767941574 1070200127 /nfs/dbraw/zinc/20/01/27/1070200127.db2.gz XTWPFSWFTKEWKC-IRXDYDNUSA-N 1 0 418.560 -0.285 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767941575 1070200221 /nfs/dbraw/zinc/20/02/21/1070200221.db2.gz XTWPFSWFTKEWKC-SJORKVTESA-N 1 0 418.560 -0.285 20 0 HBADRO CN(c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1)C1CC[NH+](C)CC1 ZINC000768111573 1070204934 /nfs/dbraw/zinc/20/49/34/1070204934.db2.gz IDSZEOPVKLOVAO-UHFFFAOYSA-N 1 0 417.510 -0.181 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000768111665 1070205090 /nfs/dbraw/zinc/20/50/90/1070205090.db2.gz KDOBYUUUCWECNA-UHFFFAOYSA-N 1 0 403.483 -0.570 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000768114654 1070205707 /nfs/dbraw/zinc/20/57/07/1070205707.db2.gz YJKQCYXAMCHFQT-UHFFFAOYSA-N 1 0 403.483 -0.570 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)C1 ZINC000768425013 1070210453 /nfs/dbraw/zinc/21/04/53/1070210453.db2.gz SYZNQPLSIGXEEA-BEFAXECRSA-N 1 0 406.487 -0.340 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)C1 ZINC000768425014 1070210488 /nfs/dbraw/zinc/21/04/88/1070210488.db2.gz SYZNQPLSIGXEEA-DNVCBOLYSA-N 1 0 406.487 -0.340 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)C1 ZINC000768425015 1070210605 /nfs/dbraw/zinc/21/06/05/1070210605.db2.gz SYZNQPLSIGXEEA-HNAYVOBHSA-N 1 0 406.487 -0.340 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)C1 ZINC000768425016 1070210506 /nfs/dbraw/zinc/21/05/06/1070210506.db2.gz SYZNQPLSIGXEEA-KXBFYZLASA-N 1 0 406.487 -0.340 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2F)cn1 ZINC000768707114 1070214833 /nfs/dbraw/zinc/21/48/33/1070214833.db2.gz DTWXTCJXXVTGRR-INIZCTEOSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2F)cn1 ZINC000768707116 1070214971 /nfs/dbraw/zinc/21/49/71/1070214971.db2.gz DTWXTCJXXVTGRR-MRXNPFEDSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)c2ccc(F)cc2)cn1 ZINC000768709734 1070215007 /nfs/dbraw/zinc/21/50/07/1070215007.db2.gz VESXYYIQGMIECD-INIZCTEOSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2ccc(F)cc2)cn1 ZINC000768709735 1070214855 /nfs/dbraw/zinc/21/48/55/1070214855.db2.gz VESXYYIQGMIECD-MRXNPFEDSA-N 1 0 420.445 -0.512 20 0 HBADRO Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000768709763 1070214915 /nfs/dbraw/zinc/21/49/15/1070214915.db2.gz VUOJXAPXEKJEDN-KRWDZBQOSA-N 1 0 416.482 -0.342 20 0 HBADRO Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000768709764 1070214803 /nfs/dbraw/zinc/21/48/03/1070214803.db2.gz VUOJXAPXEKJEDN-QGZVFWFLSA-N 1 0 416.482 -0.342 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1)NC1CCCC1 ZINC000768719359 1070215522 /nfs/dbraw/zinc/21/55/22/1070215522.db2.gz GIATWBCJDOVCJC-DLBZAZTESA-N 1 0 418.498 -0.140 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1)NC1CCCC1 ZINC000768719360 1070215381 /nfs/dbraw/zinc/21/53/81/1070215381.db2.gz GIATWBCJDOVCJC-IAGOWNOFSA-N 1 0 418.498 -0.140 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1)NC1CCCC1 ZINC000768719361 1070215560 /nfs/dbraw/zinc/21/55/60/1070215560.db2.gz GIATWBCJDOVCJC-IRXDYDNUSA-N 1 0 418.498 -0.140 20 0 HBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1)NC1CCCC1 ZINC000768719362 1070215665 /nfs/dbraw/zinc/21/56/65/1070215665.db2.gz GIATWBCJDOVCJC-SJORKVTESA-N 1 0 418.498 -0.140 20 0 HBADRO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000768720762 1070215359 /nfs/dbraw/zinc/21/53/59/1070215359.db2.gz IBJIDRITUOLVON-KRWDZBQOSA-N 1 0 416.482 -0.342 20 0 HBADRO Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000768720763 1070215604 /nfs/dbraw/zinc/21/56/04/1070215604.db2.gz IBJIDRITUOLVON-QGZVFWFLSA-N 1 0 416.482 -0.342 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)c2cccc(F)c2)cn1 ZINC000768721155 1070215512 /nfs/dbraw/zinc/21/55/12/1070215512.db2.gz PCEIUXGRWMURNE-INIZCTEOSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2cccc(F)c2)cn1 ZINC000768721156 1070215430 /nfs/dbraw/zinc/21/54/30/1070215430.db2.gz PCEIUXGRWMURNE-MRXNPFEDSA-N 1 0 420.445 -0.512 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccccc2)cn1 ZINC000768722312 1070215723 /nfs/dbraw/zinc/21/57/23/1070215723.db2.gz QXKHFKXBMQMQIC-FQEVSTJZSA-N 1 0 416.482 -0.477 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)c2ccccc2)cn1 ZINC000768722324 1070215650 /nfs/dbraw/zinc/21/56/50/1070215650.db2.gz QXKHFKXBMQMQIC-HXUWFJFHSA-N 1 0 416.482 -0.477 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cn1 ZINC000768725241 1070216230 /nfs/dbraw/zinc/21/62/30/1070216230.db2.gz PBCGWPLHYWZOAO-GOSISDBHSA-N 1 0 422.511 -0.415 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)cn1 ZINC000768725242 1070216214 /nfs/dbraw/zinc/21/62/14/1070216214.db2.gz PBCGWPLHYWZOAO-SFHVURJKSA-N 1 0 422.511 -0.415 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)cn1 ZINC000768725853 1070216142 /nfs/dbraw/zinc/21/61/42/1070216142.db2.gz ZOBUKVVRMFWNSA-GOSISDBHSA-N 1 0 422.511 -0.415 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cn1 ZINC000768725855 1070216274 /nfs/dbraw/zinc/21/62/74/1070216274.db2.gz ZOBUKVVRMFWNSA-SFHVURJKSA-N 1 0 422.511 -0.415 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc(Cl)nc2)cn1 ZINC000768732979 1070217317 /nfs/dbraw/zinc/21/73/17/1070217317.db2.gz KQTZKMKTESTMFU-UHFFFAOYSA-N 1 0 421.889 -0.093 20 0 HBADRO Cc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000768737191 1070217163 /nfs/dbraw/zinc/21/71/63/1070217163.db2.gz FSVAFZNYMYVHHX-KRWDZBQOSA-N 1 0 416.482 -0.342 20 0 HBADRO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000768737194 1070217227 /nfs/dbraw/zinc/21/72/27/1070217227.db2.gz FSVAFZNYMYVHHX-QGZVFWFLSA-N 1 0 416.482 -0.342 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CSCCS2)cn1 ZINC000768739514 1070217887 /nfs/dbraw/zinc/21/78/87/1070217887.db2.gz WOERLYAKHRNVME-CYBMUJFWSA-N 1 0 414.557 -0.536 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CSCCS2)cn1 ZINC000768739515 1070217720 /nfs/dbraw/zinc/21/77/20/1070217720.db2.gz WOERLYAKHRNVME-ZDUSSCGKSA-N 1 0 414.557 -0.536 20 0 HBADRO COCCN1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000769004635 1070220296 /nfs/dbraw/zinc/22/02/96/1070220296.db2.gz JEJUDCAJZRYVEV-UHFFFAOYSA-N 1 0 403.483 -0.306 20 0 HBADRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O ZINC000769192090 1070222106 /nfs/dbraw/zinc/22/21/06/1070222106.db2.gz CRKNVRUNXHMJCO-AWEZNQCLSA-N 1 0 423.514 -0.063 20 0 HBADRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O ZINC000769192093 1070222048 /nfs/dbraw/zinc/22/20/48/1070222048.db2.gz CRKNVRUNXHMJCO-CQSZACIVSA-N 1 0 423.514 -0.063 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000769266721 1070223322 /nfs/dbraw/zinc/22/33/22/1070223322.db2.gz IIVQDLMTCLQHEB-UHFFFAOYSA-N 1 0 411.890 -0.355 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000769267996 1070223243 /nfs/dbraw/zinc/22/32/43/1070223243.db2.gz OJESQUHMSADFNS-UHFFFAOYSA-N 1 0 402.473 -0.763 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000769268922 1070224142 /nfs/dbraw/zinc/22/41/42/1070224142.db2.gz UXZDVIDLWLAWIF-UHFFFAOYSA-N 1 0 405.499 -0.243 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000769269524 1070224108 /nfs/dbraw/zinc/22/41/08/1070224108.db2.gz ZQVYZGOKBLAXFP-UHFFFAOYSA-N 1 0 412.512 -0.744 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769489988 1070225795 /nfs/dbraw/zinc/22/57/95/1070225795.db2.gz DPRSXHIDMRGMHM-UHFFFAOYSA-N 1 0 401.508 -0.321 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc2n(C)c1=O ZINC000769496387 1070226745 /nfs/dbraw/zinc/22/67/45/1070226745.db2.gz HMGLRAFRZSOXDF-KBPBESRZSA-N 1 0 416.482 -0.030 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc2n(C)c1=O ZINC000769496388 1070226476 /nfs/dbraw/zinc/22/64/76/1070226476.db2.gz HMGLRAFRZSOXDF-KGLIPLIRSA-N 1 0 416.482 -0.030 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc2n(C)c1=O ZINC000769496389 1070226603 /nfs/dbraw/zinc/22/66/03/1070226603.db2.gz HMGLRAFRZSOXDF-UONOGXRCSA-N 1 0 416.482 -0.030 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc2n(C)c1=O ZINC000769496390 1070226655 /nfs/dbraw/zinc/22/66/55/1070226655.db2.gz HMGLRAFRZSOXDF-ZIAGYGMSSA-N 1 0 416.482 -0.030 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)CC1=O ZINC000769583091 1070227779 /nfs/dbraw/zinc/22/77/79/1070227779.db2.gz LQPULALLYLLHDT-ARFHVFGLSA-N 1 0 400.545 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)CC1=O ZINC000769583097 1070227930 /nfs/dbraw/zinc/22/79/30/1070227930.db2.gz LQPULALLYLLHDT-BZUAXINKSA-N 1 0 400.545 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC[C@H]2CS(N)(=O)=O)CC1=O ZINC000769583103 1070227945 /nfs/dbraw/zinc/22/79/45/1070227945.db2.gz LQPULALLYLLHDT-OAGGEKHMSA-N 1 0 400.545 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC[C@H]2CS(N)(=O)=O)CC1=O ZINC000769583108 1070227807 /nfs/dbraw/zinc/22/78/07/1070227807.db2.gz LQPULALLYLLHDT-XHSDSOJGSA-N 1 0 400.545 -0.011 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000769635801 1070228862 /nfs/dbraw/zinc/22/88/62/1070228862.db2.gz PPJFXVXBSLRQQQ-UHFFFAOYSA-N 1 0 401.265 -0.677 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000769636202 1070229047 /nfs/dbraw/zinc/22/90/47/1070229047.db2.gz XJTXCMBIVQFVJP-UHFFFAOYSA-N 1 0 403.476 -0.109 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000769835781 1070235610 /nfs/dbraw/zinc/23/56/10/1070235610.db2.gz GQMFXUGLNXQRGS-CYBMUJFWSA-N 1 0 414.484 -0.641 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000769835863 1070236171 /nfs/dbraw/zinc/23/61/71/1070236171.db2.gz GQMFXUGLNXQRGS-ZDUSSCGKSA-N 1 0 414.484 -0.641 20 0 HBADRO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000770082927 1070240399 /nfs/dbraw/zinc/24/03/99/1070240399.db2.gz ZSYSYWQNWGCUNH-UHFFFAOYSA-N 1 0 404.467 -0.097 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000770105105 1070241104 /nfs/dbraw/zinc/24/11/04/1070241104.db2.gz SHOBLYXKNYJAFM-GDBMZVCRSA-N 1 0 421.560 -0.034 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000770105106 1070241261 /nfs/dbraw/zinc/24/12/61/1070241261.db2.gz SHOBLYXKNYJAFM-GOEBONIOSA-N 1 0 421.560 -0.034 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000770105107 1070241464 /nfs/dbraw/zinc/24/14/64/1070241464.db2.gz SHOBLYXKNYJAFM-HOCLYGCPSA-N 1 0 421.560 -0.034 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000770105108 1070241167 /nfs/dbraw/zinc/24/11/67/1070241167.db2.gz SHOBLYXKNYJAFM-ZBFHGGJFSA-N 1 0 421.560 -0.034 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000770252409 1070244080 /nfs/dbraw/zinc/24/40/80/1070244080.db2.gz JFDDZKGWGBCAIO-UHFFFAOYSA-N 1 0 402.521 -0.040 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000770385376 1070246723 /nfs/dbraw/zinc/24/67/23/1070246723.db2.gz MBJDNDIKALPBGZ-CVEARBPZSA-N 1 0 404.533 -0.457 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000770385378 1070246783 /nfs/dbraw/zinc/24/67/83/1070246783.db2.gz MBJDNDIKALPBGZ-HOTGVXAUSA-N 1 0 404.533 -0.457 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000770385380 1070246890 /nfs/dbraw/zinc/24/68/90/1070246890.db2.gz MBJDNDIKALPBGZ-HZPDHXFCSA-N 1 0 404.533 -0.457 20 0 HBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000770385381 1070246683 /nfs/dbraw/zinc/24/66/83/1070246683.db2.gz MBJDNDIKALPBGZ-JKSUJKDBSA-N 1 0 404.533 -0.457 20 0 HBADRO Cn1cc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c(=O)n(C)c1=O ZINC000770395762 1070246170 /nfs/dbraw/zinc/24/61/70/1070246170.db2.gz VDEDSPDYIUWGGB-UHFFFAOYSA-N 1 0 407.496 -0.222 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000770581670 1070250922 /nfs/dbraw/zinc/25/09/22/1070250922.db2.gz GTILNTYHBZOHDT-KRWDZBQOSA-N 1 0 418.608 -0.074 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000770581767 1070251064 /nfs/dbraw/zinc/25/10/64/1070251064.db2.gz GTILNTYHBZOHDT-QGZVFWFLSA-N 1 0 418.608 -0.074 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCOC1 ZINC000770691149 1070254156 /nfs/dbraw/zinc/25/41/56/1070254156.db2.gz FVNNYJWSNVINAN-CRAIPNDOSA-N 1 0 417.528 -0.980 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCOC1 ZINC000770691150 1070254169 /nfs/dbraw/zinc/25/41/69/1070254169.db2.gz FVNNYJWSNVINAN-MAUKXSAKSA-N 1 0 417.528 -0.980 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCOC1 ZINC000770691151 1070253875 /nfs/dbraw/zinc/25/38/75/1070253875.db2.gz FVNNYJWSNVINAN-QAPCUYQASA-N 1 0 417.528 -0.980 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCOC1 ZINC000770691152 1070253971 /nfs/dbraw/zinc/25/39/71/1070253971.db2.gz FVNNYJWSNVINAN-YJBOKZPZSA-N 1 0 417.528 -0.980 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCCOC1 ZINC000770693467 1070254074 /nfs/dbraw/zinc/25/40/74/1070254074.db2.gz UKNIMKGCSRZSFD-GOSISDBHSA-N 1 0 411.480 -0.075 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCCOC1 ZINC000770693470 1070254199 /nfs/dbraw/zinc/25/41/99/1070254199.db2.gz UKNIMKGCSRZSFD-SFHVURJKSA-N 1 0 411.480 -0.075 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCCOC1 ZINC000770699761 1070254142 /nfs/dbraw/zinc/25/41/42/1070254142.db2.gz NNVNNLLJOPLMNE-FQEVSTJZSA-N 1 0 412.531 -0.253 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCCOC1 ZINC000770699763 1070254011 /nfs/dbraw/zinc/25/40/11/1070254011.db2.gz NNVNNLLJOPLMNE-HXUWFJFHSA-N 1 0 412.531 -0.253 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCOC1 ZINC000770699877 1070254129 /nfs/dbraw/zinc/25/41/29/1070254129.db2.gz OJAPMYUKLGSCEZ-GOSISDBHSA-N 1 0 413.496 -0.305 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCOC1 ZINC000770699879 1070254211 /nfs/dbraw/zinc/25/42/11/1070254211.db2.gz OJAPMYUKLGSCEZ-SFHVURJKSA-N 1 0 413.496 -0.305 20 0 HBADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CCCOC1 ZINC000770705604 1070254722 /nfs/dbraw/zinc/25/47/22/1070254722.db2.gz HTUMIUQYXCBZHK-KRWDZBQOSA-N 1 0 415.468 -0.017 20 0 HBADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CCCOC1 ZINC000770705605 1070254800 /nfs/dbraw/zinc/25/48/00/1070254800.db2.gz HTUMIUQYXCBZHK-QGZVFWFLSA-N 1 0 415.468 -0.017 20 0 HBADRO COCCN(C(=O)C[NH2+][C@]1(CC(=O)OC)CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000770705687 1070254561 /nfs/dbraw/zinc/25/45/61/1070254561.db2.gz IMHIHUHGUMBZQU-PBHICJAKSA-N 1 0 406.501 -0.650 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000770705700 1070254633 /nfs/dbraw/zinc/25/46/33/1070254633.db2.gz IMHIHUHGUMBZQU-RHSMWYFYSA-N 1 0 406.501 -0.650 20 0 HBADRO COCCN(C(=O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000770705704 1070254685 /nfs/dbraw/zinc/25/46/85/1070254685.db2.gz IMHIHUHGUMBZQU-WMLDXEAASA-N 1 0 406.501 -0.650 20 0 HBADRO COCCN(C(=O)C[NH2+][C@]1(CC(=O)OC)CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000770705706 1070254783 /nfs/dbraw/zinc/25/47/83/1070254783.db2.gz IMHIHUHGUMBZQU-YOEHRIQHSA-N 1 0 406.501 -0.650 20 0 HBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000770738992 1070256116 /nfs/dbraw/zinc/25/61/16/1070256116.db2.gz QHXOZMJAUXXLPH-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000770800489 1070257162 /nfs/dbraw/zinc/25/71/62/1070257162.db2.gz KTWBICKBIOYWSU-INIZCTEOSA-N 1 0 416.526 -0.297 20 0 HBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000770800490 1070257060 /nfs/dbraw/zinc/25/70/60/1070257060.db2.gz KTWBICKBIOYWSU-MRXNPFEDSA-N 1 0 416.526 -0.297 20 0 HBADRO C[C@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCN1c1nccn2cnnc12 ZINC000771168810 1070263923 /nfs/dbraw/zinc/26/39/23/1070263923.db2.gz CQKQBVUAWSGRDD-AWEZNQCLSA-N 1 0 413.486 -0.392 20 0 HBADRO C[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCN1c1nccn2cnnc12 ZINC000771168812 1070263877 /nfs/dbraw/zinc/26/38/77/1070263877.db2.gz CQKQBVUAWSGRDD-CQSZACIVSA-N 1 0 413.486 -0.392 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)c1=O ZINC000771203209 1070264041 /nfs/dbraw/zinc/26/40/41/1070264041.db2.gz RFBNGUOGOSGVKK-CVEARBPZSA-N 1 0 400.439 -0.511 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)c1=O ZINC000771203281 1070263814 /nfs/dbraw/zinc/26/38/14/1070263814.db2.gz RFBNGUOGOSGVKK-HOTGVXAUSA-N 1 0 400.439 -0.511 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)c1=O ZINC000771203282 1070263728 /nfs/dbraw/zinc/26/37/28/1070263728.db2.gz RFBNGUOGOSGVKK-HZPDHXFCSA-N 1 0 400.439 -0.511 20 0 HBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)c1=O ZINC000771203283 1070263976 /nfs/dbraw/zinc/26/39/76/1070263976.db2.gz RFBNGUOGOSGVKK-JKSUJKDBSA-N 1 0 400.439 -0.511 20 0 HBADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCN2CC[NH+](C)CC2)C1=O ZINC000771244653 1070265719 /nfs/dbraw/zinc/26/57/19/1070265719.db2.gz VHZBJMPNAPCKSW-FQEVSTJZSA-N 1 0 403.483 -0.174 20 0 HBADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCN2CC[NH+](C)CC2)C1=O ZINC000771244654 1070265692 /nfs/dbraw/zinc/26/56/92/1070265692.db2.gz VHZBJMPNAPCKSW-HXUWFJFHSA-N 1 0 403.483 -0.174 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000771246846 1070265557 /nfs/dbraw/zinc/26/55/57/1070265557.db2.gz ZJEZMPPJWQIXBL-HNNXBMFYSA-N 1 0 423.539 -0.083 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000771246848 1070265621 /nfs/dbraw/zinc/26/56/21/1070265621.db2.gz ZJEZMPPJWQIXBL-OAHLLOKOSA-N 1 0 423.539 -0.083 20 0 HBADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000771311360 1070267362 /nfs/dbraw/zinc/26/73/62/1070267362.db2.gz KINBEYOCKISENG-UHFFFAOYSA-N 1 0 405.565 -0.636 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000771467540 1070271052 /nfs/dbraw/zinc/27/10/52/1070271052.db2.gz TZAIBKUSXDQSPO-CYBMUJFWSA-N 1 0 415.516 -0.324 20 0 HBADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000771467551 1070271006 /nfs/dbraw/zinc/27/10/06/1070271006.db2.gz TZAIBKUSXDQSPO-ZDUSSCGKSA-N 1 0 415.516 -0.324 20 0 HBADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1=O ZINC000771483227 1070271625 /nfs/dbraw/zinc/27/16/25/1070271625.db2.gz ZZBLGLFZOQCAHB-JLTOFOAXSA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1=O ZINC000771483229 1070271832 /nfs/dbraw/zinc/27/18/32/1070271832.db2.gz ZZBLGLFZOQCAHB-VBKZILBWSA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1=O ZINC000771483230 1070271718 /nfs/dbraw/zinc/27/17/18/1070271718.db2.gz ZZBLGLFZOQCAHB-VLIAUNLRSA-N 1 0 403.483 -0.176 20 0 HBADRO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1=O ZINC000771483233 1070271649 /nfs/dbraw/zinc/27/16/49/1070271649.db2.gz ZZBLGLFZOQCAHB-XOBRGWDASA-N 1 0 403.483 -0.176 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)=NN1c1ccccc1 ZINC000771497178 1070272820 /nfs/dbraw/zinc/27/28/20/1070272820.db2.gz SANBXUOOUKZWMT-GOSISDBHSA-N 1 0 415.494 -0.208 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)=NN1c1ccccc1 ZINC000771497179 1070272874 /nfs/dbraw/zinc/27/28/74/1070272874.db2.gz SANBXUOOUKZWMT-SFHVURJKSA-N 1 0 415.494 -0.208 20 0 HBADRO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000771499291 1070273121 /nfs/dbraw/zinc/27/31/21/1070273121.db2.gz KSACVLWRVDAWMC-UHFFFAOYSA-N 1 0 410.496 -0.830 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(Oc3ccnc(C(N)=O)c3)CC1)C2=O ZINC000771624076 1070276468 /nfs/dbraw/zinc/27/64/68/1070276468.db2.gz LEQASQUXFZZPKD-UHFFFAOYSA-N 1 0 416.482 -0.003 20 0 HBADRO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766294 1070280083 /nfs/dbraw/zinc/28/00/83/1070280083.db2.gz LYNICXAHALLIKW-KRWDZBQOSA-N 1 0 417.576 -0.542 20 0 HBADRO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766295 1070279916 /nfs/dbraw/zinc/27/99/16/1070279916.db2.gz LYNICXAHALLIKW-QGZVFWFLSA-N 1 0 417.576 -0.542 20 0 HBADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000771780236 1070279280 /nfs/dbraw/zinc/27/92/80/1070279280.db2.gz UWSWSCMLFDTIQF-UHFFFAOYSA-N 1 0 409.487 -0.997 20 0 HBADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2 ZINC000771784419 1070279486 /nfs/dbraw/zinc/27/94/86/1070279486.db2.gz IWLCYDVRAJGXKI-UHFFFAOYSA-N 1 0 404.489 -0.832 20 0 HBADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)CC2 ZINC000771786072 1070279423 /nfs/dbraw/zinc/27/94/23/1070279423.db2.gz UFSCVKCRAAHYOZ-UHFFFAOYSA-N 1 0 418.450 -0.049 20 0 HBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)C2=O ZINC000771795001 1070279870 /nfs/dbraw/zinc/27/98/70/1070279870.db2.gz KHJDZSWROLVJBM-UHFFFAOYSA-N 1 0 408.503 -0.776 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771800384 1070279795 /nfs/dbraw/zinc/27/97/95/1070279795.db2.gz NDFSQXFXDOMGAY-HNNXBMFYSA-N 1 0 400.501 -0.125 20 0 HBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771800385 1070280012 /nfs/dbraw/zinc/28/00/12/1070280012.db2.gz NDFSQXFXDOMGAY-OAHLLOKOSA-N 1 0 400.501 -0.125 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC000772437142 1070296874 /nfs/dbraw/zinc/29/68/74/1070296874.db2.gz KRFAXCQTXOLCTQ-AWEZNQCLSA-N 1 0 414.484 -0.641 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC000772437152 1070296924 /nfs/dbraw/zinc/29/69/24/1070296924.db2.gz KRFAXCQTXOLCTQ-CQSZACIVSA-N 1 0 414.484 -0.641 20 0 HBADRO C[C@@H]([NH2+]CCc1nnnn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000772469460 1070296707 /nfs/dbraw/zinc/29/67/07/1070296707.db2.gz RHJGKIMLVWLNAF-LLVKDONJSA-N 1 0 402.502 -0.171 20 0 HBADRO C[C@H]([NH2+]CCc1nnnn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000772469462 1070296993 /nfs/dbraw/zinc/29/69/93/1070296993.db2.gz RHJGKIMLVWLNAF-NSHDSACASA-N 1 0 402.502 -0.171 20 0 HBADRO Cn1nccc1CCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000772772576 1070494063 /nfs/dbraw/zinc/49/40/63/1070494063.db2.gz XRNXHFUSTBHIGS-UHFFFAOYSA-N 1 0 412.454 -0.079 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1=O ZINC000772833424 1070524475 /nfs/dbraw/zinc/52/44/75/1070524475.db2.gz QNQKVYHVXIRIBZ-AWEZNQCLSA-N 1 0 403.483 -0.029 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1=O ZINC000772833428 1070524736 /nfs/dbraw/zinc/52/47/36/1070524736.db2.gz QNQKVYHVXIRIBZ-CQSZACIVSA-N 1 0 403.483 -0.029 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1=O ZINC000772855992 1071005891 /nfs/dbraw/zinc/00/58/91/1071005891.db2.gz MVVIFZCBXOWCQJ-AWEZNQCLSA-N 1 0 403.483 -0.040 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1=O ZINC000772855993 1071005603 /nfs/dbraw/zinc/00/56/03/1071005603.db2.gz MVVIFZCBXOWCQJ-CQSZACIVSA-N 1 0 403.483 -0.040 20 0 HBADRO Cn1nncc1C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000773409286 1071199103 /nfs/dbraw/zinc/19/91/03/1071199103.db2.gz LLFUDQAJNBSBBE-UHFFFAOYSA-N 1 0 403.486 -0.291 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 ZINC000773648428 1071255084 /nfs/dbraw/zinc/25/50/84/1071255084.db2.gz CGXAPEXIXPLYPU-CYBMUJFWSA-N 1 0 419.525 -0.141 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 ZINC000773648430 1071255291 /nfs/dbraw/zinc/25/52/91/1071255291.db2.gz CGXAPEXIXPLYPU-ZDUSSCGKSA-N 1 0 419.525 -0.141 20 0 HBADRO C[C@@H](C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)[NH+](C)C ZINC000773652445 1071258255 /nfs/dbraw/zinc/25/82/55/1071258255.db2.gz QFFAPCLOQNFZTP-LBPRGKRZSA-N 1 0 407.514 -0.143 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774254054 1071404668 /nfs/dbraw/zinc/40/46/68/1071404668.db2.gz RZTPUGMHPVGLBT-BHYGNILZSA-N 1 0 414.462 -0.190 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774254058 1071404543 /nfs/dbraw/zinc/40/45/43/1071404543.db2.gz RZTPUGMHPVGLBT-UAGQMJEPSA-N 1 0 414.462 -0.190 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774254337 1071404754 /nfs/dbraw/zinc/40/47/54/1071404754.db2.gz RZTPUGMHPVGLBT-USXIJHARSA-N 1 0 414.462 -0.190 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774254340 1071404732 /nfs/dbraw/zinc/40/47/32/1071404732.db2.gz RZTPUGMHPVGLBT-XIRDDKMYSA-N 1 0 414.462 -0.190 20 0 HBADRO C[NH+](C)CCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000774301542 1071407230 /nfs/dbraw/zinc/40/72/30/1071407230.db2.gz GGBNFCHQFONHLP-UHFFFAOYSA-N 1 0 422.529 -0.348 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000774428333 1071414884 /nfs/dbraw/zinc/41/48/84/1071414884.db2.gz BZZGQJOVAKBGGG-UHFFFAOYSA-N 1 0 402.439 -0.125 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000774433203 1071414800 /nfs/dbraw/zinc/41/48/00/1071414800.db2.gz UIHWHOLNEHQZBA-UHFFFAOYSA-N 1 0 413.519 -0.360 20 0 HBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000774441297 1071415827 /nfs/dbraw/zinc/41/58/27/1071415827.db2.gz XPGOQTSIGSLXLU-UHFFFAOYSA-N 1 0 421.523 -0.262 20 0 HBADRO COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000774472659 1071416778 /nfs/dbraw/zinc/41/67/78/1071416778.db2.gz MVHDAOCJCSOANV-UHFFFAOYSA-N 1 0 417.466 -0.111 20 0 HBADRO COC(=O)N1CC(NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000774475597 1071417547 /nfs/dbraw/zinc/41/75/47/1071417547.db2.gz WVDRKRBFUGPJCI-UHFFFAOYSA-N 1 0 405.411 -0.339 20 0 HBADRO COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000774476958 1071418154 /nfs/dbraw/zinc/41/81/54/1071418154.db2.gz NFQBMSBQLNKZLA-UHFFFAOYSA-N 1 0 419.482 -0.182 20 0 HBADRO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000774485999 1071419734 /nfs/dbraw/zinc/41/97/34/1071419734.db2.gz VNECDNHRGVZMKS-UHFFFAOYSA-N 1 0 403.483 -0.308 20 0 HBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc2F)CC1 ZINC000774488840 1071419748 /nfs/dbraw/zinc/41/97/48/1071419748.db2.gz MEVICANXBAIYLN-UHFFFAOYSA-N 1 0 422.461 -0.004 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cn1 ZINC000774507270 1071422735 /nfs/dbraw/zinc/42/27/35/1071422735.db2.gz QTENURBCQVFKCS-HNNXBMFYSA-N 1 0 422.486 -0.699 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cn1 ZINC000774507275 1071422812 /nfs/dbraw/zinc/42/28/12/1071422812.db2.gz QTENURBCQVFKCS-OAHLLOKOSA-N 1 0 422.486 -0.699 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774738263 1071492004 /nfs/dbraw/zinc/49/20/04/1071492004.db2.gz OKLYXHTUBLKUDR-UHFFFAOYSA-N 1 0 405.565 -0.037 20 0 HBADRO CC(C)[NH+](CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(C)C ZINC000774788132 1071502830 /nfs/dbraw/zinc/50/28/30/1071502830.db2.gz IFZWYABWZUWJHJ-UHFFFAOYSA-N 1 0 404.577 -0.153 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCCC1 ZINC000774814373 1071504644 /nfs/dbraw/zinc/50/46/44/1071504644.db2.gz HQMUYJWUDZAGLW-UHFFFAOYSA-N 1 0 416.588 -0.008 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000774851801 1071512352 /nfs/dbraw/zinc/51/23/52/1071512352.db2.gz CEIBJWWYEAKNQS-UHFFFAOYSA-N 1 0 419.507 -0.510 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000774853527 1071511834 /nfs/dbraw/zinc/51/18/34/1071511834.db2.gz JSGKPWRFDVVRGN-UHFFFAOYSA-N 1 0 411.503 -0.608 20 0 HBADRO C[NH+]1CCC(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000774854459 1071512882 /nfs/dbraw/zinc/51/28/82/1071512882.db2.gz OAJKPAPAVVUSPQ-UHFFFAOYSA-N 1 0 414.450 -0.125 20 0 HBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774857537 1071511920 /nfs/dbraw/zinc/51/19/20/1071511920.db2.gz GBCLWFTZRIJWQL-AQNXPRMDSA-N 1 0 416.522 -0.017 20 0 HBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774857549 1071512214 /nfs/dbraw/zinc/51/22/14/1071512214.db2.gz GBCLWFTZRIJWQL-VAMGGRTRSA-N 1 0 416.522 -0.017 20 0 HBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774857553 1071512020 /nfs/dbraw/zinc/51/20/20/1071512020.db2.gz GBCLWFTZRIJWQL-XUVXKRRUSA-N 1 0 416.522 -0.017 20 0 HBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774857557 1071512116 /nfs/dbraw/zinc/51/21/16/1071512116.db2.gz GBCLWFTZRIJWQL-ZCNNSNEGSA-N 1 0 416.522 -0.017 20 0 HBADRO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCC1 ZINC000774868392 1071514143 /nfs/dbraw/zinc/51/41/43/1071514143.db2.gz VEWFJXBFJWGZEK-UHFFFAOYSA-N 1 0 402.561 -0.398 20 0 HBADRO CC(C)(CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000774886715 1071516496 /nfs/dbraw/zinc/51/64/96/1071516496.db2.gz AMVVSXWECHKGGE-UHFFFAOYSA-N 1 0 416.588 -0.008 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000774953829 1071537649 /nfs/dbraw/zinc/53/76/49/1071537649.db2.gz AEKIKWIOOBKGJK-KRWDZBQOSA-N 1 0 401.511 -0.391 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000774953830 1071537622 /nfs/dbraw/zinc/53/76/22/1071537622.db2.gz AEKIKWIOOBKGJK-QGZVFWFLSA-N 1 0 401.511 -0.391 20 0 HBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC2(C1)OCCO2 ZINC000774953891 1071536900 /nfs/dbraw/zinc/53/69/00/1071536900.db2.gz DCIBPPQTHOSWAI-UHFFFAOYSA-N 1 0 402.495 -0.104 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000774955127 1071537569 /nfs/dbraw/zinc/53/75/69/1071537569.db2.gz JLNSUYVLSFRGEL-UHFFFAOYSA-N 1 0 410.540 -0.529 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000774957106 1071537592 /nfs/dbraw/zinc/53/75/92/1071537592.db2.gz RVAVRPYUTNIYTL-UHFFFAOYSA-N 1 0 410.540 -0.577 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000774957844 1071538414 /nfs/dbraw/zinc/53/84/14/1071538414.db2.gz YDOHFEYJCOJHTE-UHFFFAOYSA-N 1 0 424.567 -0.187 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000775014510 1071549017 /nfs/dbraw/zinc/54/90/17/1071549017.db2.gz RXQWEQUAOCKZJW-UHFFFAOYSA-N 1 0 423.514 -0.510 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000775026414 1071550099 /nfs/dbraw/zinc/55/00/99/1071550099.db2.gz GYSVUJFOIRLETK-KRWDZBQOSA-N 1 0 409.531 -0.038 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000775026415 1071549936 /nfs/dbraw/zinc/54/99/36/1071549936.db2.gz GYSVUJFOIRLETK-QGZVFWFLSA-N 1 0 409.531 -0.038 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000775036265 1071554178 /nfs/dbraw/zinc/55/41/78/1071554178.db2.gz INWKWOMCRMABOY-INIZCTEOSA-N 1 0 423.514 -0.512 20 0 HBADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000775036269 1071554291 /nfs/dbraw/zinc/55/42/91/1071554291.db2.gz INWKWOMCRMABOY-MRXNPFEDSA-N 1 0 423.514 -0.512 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775103556 1071585199 /nfs/dbraw/zinc/58/51/99/1071585199.db2.gz DJNPSCRTFHFFAI-CABCVRRESA-N 1 0 421.498 -0.663 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775103565 1071584976 /nfs/dbraw/zinc/58/49/76/1071584976.db2.gz DJNPSCRTFHFFAI-GJZGRUSLSA-N 1 0 421.498 -0.663 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775103567 1071585231 /nfs/dbraw/zinc/58/52/31/1071585231.db2.gz DJNPSCRTFHFFAI-HUUCEWRRSA-N 1 0 421.498 -0.663 20 0 HBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775103568 1071585044 /nfs/dbraw/zinc/58/50/44/1071585044.db2.gz DJNPSCRTFHFFAI-LSDHHAIUSA-N 1 0 421.498 -0.663 20 0 HBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc2)CC1 ZINC000775134651 1071597585 /nfs/dbraw/zinc/59/75/85/1071597585.db2.gz IDLAGZRYZNXAJT-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)cn1 ZINC000775166245 1071607753 /nfs/dbraw/zinc/60/77/53/1071607753.db2.gz NSRBKJQFJFGVDO-UHFFFAOYSA-N 1 0 416.486 -0.371 20 0 HBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000775167273 1071608996 /nfs/dbraw/zinc/60/89/96/1071608996.db2.gz SIIALUGHTQBFGJ-UHFFFAOYSA-N 1 0 417.510 -0.181 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(C)C ZINC000775433660 1071649622 /nfs/dbraw/zinc/64/96/22/1071649622.db2.gz GRQHBQXBRFFOSB-HNAYVOBHSA-N 1 0 405.455 -0.146 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(C)C ZINC000775433662 1071650188 /nfs/dbraw/zinc/65/01/88/1071650188.db2.gz GRQHBQXBRFFOSB-KXBFYZLASA-N 1 0 405.455 -0.146 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)C(C)C ZINC000775436379 1071650238 /nfs/dbraw/zinc/65/02/38/1071650238.db2.gz VGEFQHQSOKVYEB-HNAYVOBHSA-N 1 0 405.455 -0.146 20 0 HBADRO CNC(=O)[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)C(C)C ZINC000775436380 1071650213 /nfs/dbraw/zinc/65/02/13/1071650213.db2.gz VGEFQHQSOKVYEB-KXBFYZLASA-N 1 0 405.455 -0.146 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cc2)CC1 ZINC000776497970 1071809798 /nfs/dbraw/zinc/80/97/98/1071809798.db2.gz LBSWLRKOOHDNBW-UHFFFAOYSA-N 1 0 403.483 -0.258 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cc2)CC1 ZINC000776498234 1071809148 /nfs/dbraw/zinc/80/91/48/1071809148.db2.gz OOYNMOPOBFIRNI-UHFFFAOYSA-N 1 0 403.483 -0.258 20 0 HBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000776503566 1071811146 /nfs/dbraw/zinc/81/11/46/1071811146.db2.gz OAMKATWZEFBAAS-HNNXBMFYSA-N 1 0 423.539 -0.131 20 0 HBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000780435731 1071306775 /nfs/dbraw/zinc/30/67/75/1071306775.db2.gz IVFBLJBSUZZGIC-HNNXBMFYSA-N 1 0 404.577 -0.018 20 0 HBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000780435745 1071306908 /nfs/dbraw/zinc/30/69/08/1071306908.db2.gz IVFBLJBSUZZGIC-OAHLLOKOSA-N 1 0 404.577 -0.018 20 0 HBADRO C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC[N@@H+]1CC(C)(C)O ZINC000780436551 1071331181 /nfs/dbraw/zinc/33/11/81/1071331181.db2.gz NODDXWPRGFBRSU-OAHLLOKOSA-N 1 0 404.577 -0.018 20 0 HBADRO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000782611150 1068937548 /nfs/dbraw/zinc/93/75/48/1068937548.db2.gz CJHVHPDQDJRIJK-RRMPHLOHSA-N 1 0 401.463 -0.189 20 0 HBADRO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000782611151 1068937469 /nfs/dbraw/zinc/93/74/69/1068937469.db2.gz CJHVHPDQDJRIJK-UQASEVPWSA-N 1 0 401.463 -0.189 20 0 HBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)n1 ZINC000782777168 1069006104 /nfs/dbraw/zinc/00/61/04/1069006104.db2.gz FTAOJIKRVJHFKW-UHFFFAOYSA-N 1 0 415.498 -0.062 20 0 HBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000784971449 1068335656 /nfs/dbraw/zinc/33/56/56/1068335656.db2.gz MZUPDRSOJRGVBA-KRWDZBQOSA-N 1 0 419.526 -0.472 20 0 HBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000784971451 1068335400 /nfs/dbraw/zinc/33/54/00/1068335400.db2.gz MZUPDRSOJRGVBA-QGZVFWFLSA-N 1 0 419.526 -0.472 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCCC23OCCO3)cn1 ZINC000785055558 1068505705 /nfs/dbraw/zinc/50/57/05/1068505705.db2.gz FTTDOUSWTPLLBJ-HNNXBMFYSA-N 1 0 422.486 -0.699 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCCC23OCCO3)cn1 ZINC000785055559 1068505595 /nfs/dbraw/zinc/50/55/95/1068505595.db2.gz FTTDOUSWTPLLBJ-OAHLLOKOSA-N 1 0 422.486 -0.699 20 0 HBADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000785072855 1068535904 /nfs/dbraw/zinc/53/59/04/1068535904.db2.gz DRIYIIRYMSVBBF-UHFFFAOYSA-N 1 0 402.473 -0.499 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000785073829 1068535738 /nfs/dbraw/zinc/53/57/38/1068535738.db2.gz MANZDSJGZFBLOJ-UHFFFAOYSA-N 1 0 411.890 -0.091 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCOCC[NH+](C)C ZINC000785075372 1068539230 /nfs/dbraw/zinc/53/92/30/1068539230.db2.gz XSFCEXOWCHDEQA-UHFFFAOYSA-N 1 0 412.512 -0.480 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)C(=O)NCC[NH+](C)C ZINC000785159804 1068750809 /nfs/dbraw/zinc/75/08/09/1068750809.db2.gz JSLJQGXAXZRHHB-HNNXBMFYSA-N 1 0 416.486 -0.191 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000785175156 1068856802 /nfs/dbraw/zinc/85/68/02/1068856802.db2.gz RKJBHEVLZREGOE-UHFFFAOYSA-N 1 0 411.890 -0.043 20 0 HBADRO COCC[NH2+]CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000785176244 1068859281 /nfs/dbraw/zinc/85/92/81/1068859281.db2.gz IWDLJZPVNBCEQT-UHFFFAOYSA-N 1 0 412.512 -0.432 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000785210061 1068917440 /nfs/dbraw/zinc/91/74/40/1068917440.db2.gz DUCXCKWIBKUYBB-INIZCTEOSA-N 1 0 414.466 -0.470 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000785210088 1068917468 /nfs/dbraw/zinc/91/74/68/1068917468.db2.gz DUCXCKWIBKUYBB-MRXNPFEDSA-N 1 0 414.466 -0.470 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000785211817 1068919353 /nfs/dbraw/zinc/91/93/53/1068919353.db2.gz NNZDPBXXTLNLKV-HNNXBMFYSA-N 1 0 400.439 -0.861 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000785211818 1068919270 /nfs/dbraw/zinc/91/92/70/1068919270.db2.gz NNZDPBXXTLNLKV-OAHLLOKOSA-N 1 0 400.439 -0.861 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000785211904 1068919748 /nfs/dbraw/zinc/91/97/48/1068919748.db2.gz PDLRUMFJJDPRQZ-INIZCTEOSA-N 1 0 414.466 -0.470 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000785211905 1068919894 /nfs/dbraw/zinc/91/98/94/1068919894.db2.gz PDLRUMFJJDPRQZ-MRXNPFEDSA-N 1 0 414.466 -0.470 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000785284804 1069216873 /nfs/dbraw/zinc/21/68/73/1069216873.db2.gz KUIMHXNNIHWVJP-GOSISDBHSA-N 1 0 417.510 -0.134 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000785284805 1069216782 /nfs/dbraw/zinc/21/67/82/1069216782.db2.gz KUIMHXNNIHWVJP-SFHVURJKSA-N 1 0 417.510 -0.134 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)CC1 ZINC000785285884 1069217390 /nfs/dbraw/zinc/21/73/90/1069217390.db2.gz NKFCNOFDBRGFCQ-INIZCTEOSA-N 1 0 403.483 -0.524 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)CC1 ZINC000785285887 1069217348 /nfs/dbraw/zinc/21/73/48/1069217348.db2.gz NKFCNOFDBRGFCQ-MRXNPFEDSA-N 1 0 403.483 -0.524 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000785287689 1069219546 /nfs/dbraw/zinc/21/95/46/1069219546.db2.gz UVYZNMUNPRZWKQ-GOSISDBHSA-N 1 0 417.510 -0.134 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000785287690 1069219475 /nfs/dbraw/zinc/21/94/75/1069219475.db2.gz UVYZNMUNPRZWKQ-SFHVURJKSA-N 1 0 417.510 -0.134 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NN3CC(=O)N(C)C3=O)cc2)CC1 ZINC000785304038 1069227816 /nfs/dbraw/zinc/22/78/16/1069227816.db2.gz FRGBMINYPYSZDX-UHFFFAOYSA-N 1 0 402.455 -0.312 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1 ZINC000785305889 1069230279 /nfs/dbraw/zinc/23/02/79/1069230279.db2.gz KVGXFZPTBOSHJM-UHFFFAOYSA-N 1 0 418.454 -0.378 20 0 HBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NN1CC(=O)N(C)C1=O ZINC000785316058 1069236329 /nfs/dbraw/zinc/23/63/29/1069236329.db2.gz SPYNCMNFOLRTKF-UHFFFAOYSA-N 1 0 418.454 -0.299 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CC1 ZINC000785331951 1069239225 /nfs/dbraw/zinc/23/92/25/1069239225.db2.gz JDKGPFALJJUZBY-UHFFFAOYSA-N 1 0 412.454 -0.849 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000785396524 1069946530 /nfs/dbraw/zinc/94/65/30/1069946530.db2.gz KEEXSXRMQIRGTJ-INIZCTEOSA-N 1 0 401.471 -0.249 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000785396527 1069947519 /nfs/dbraw/zinc/94/75/19/1069947519.db2.gz KEEXSXRMQIRGTJ-MRXNPFEDSA-N 1 0 401.471 -0.249 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C[C@H]1COCC2 ZINC000785399375 1070426052 /nfs/dbraw/zinc/42/60/52/1070426052.db2.gz PVKIPNIKTIQIAW-RZQQEMMASA-N 1 0 411.499 -0.503 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C[C@H]1COCC2 ZINC000785399377 1070426155 /nfs/dbraw/zinc/42/61/55/1070426155.db2.gz PVKIPNIKTIQIAW-TWOQFEAHSA-N 1 0 411.499 -0.503 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000785516127 1070300226 /nfs/dbraw/zinc/30/02/26/1070300226.db2.gz FPBHCRMSGYOMTN-UHFFFAOYSA-N 1 0 402.561 -0.396 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000785521613 1070300496 /nfs/dbraw/zinc/30/04/96/1070300496.db2.gz BYYNNCJHHSLVRN-AEGPPILISA-N 1 0 410.496 -0.509 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000785521614 1070300602 /nfs/dbraw/zinc/30/06/02/1070300602.db2.gz BYYNNCJHHSLVRN-CFVMTHIKSA-N 1 0 410.496 -0.509 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000785521615 1070300274 /nfs/dbraw/zinc/30/02/74/1070300274.db2.gz BYYNNCJHHSLVRN-NWANDNLSSA-N 1 0 410.496 -0.509 20 0 HBADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000785521616 1070300357 /nfs/dbraw/zinc/30/03/57/1070300357.db2.gz BYYNNCJHHSLVRN-QEJZJMRPSA-N 1 0 410.496 -0.509 20 0 HBADRO CC1CC[NH+](CCCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000785522522 1070300569 /nfs/dbraw/zinc/30/05/69/1070300569.db2.gz ZZDODESMXUHHDA-UHFFFAOYSA-N 1 0 416.588 -0.150 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)CC1=O ZINC000785641091 1070302373 /nfs/dbraw/zinc/30/23/73/1070302373.db2.gz HFHQIMHYDCPIJC-FGTMMUONSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1=O ZINC000785641094 1070302916 /nfs/dbraw/zinc/30/29/16/1070302916.db2.gz HFHQIMHYDCPIJC-KZNAEPCWSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)CC1=O ZINC000785641097 1070302630 /nfs/dbraw/zinc/30/26/30/1070302630.db2.gz HFHQIMHYDCPIJC-OKZBNKHCSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1=O ZINC000785641100 1070302885 /nfs/dbraw/zinc/30/28/85/1070302885.db2.gz HFHQIMHYDCPIJC-RCCFBDPRSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)CC1=O ZINC000785643871 1070303106 /nfs/dbraw/zinc/30/31/06/1070303106.db2.gz BIZSRZWMYCAGOQ-CABCVRRESA-N 1 0 410.515 -0.107 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)CC1=O ZINC000785643873 1070302989 /nfs/dbraw/zinc/30/29/89/1070302989.db2.gz BIZSRZWMYCAGOQ-GJZGRUSLSA-N 1 0 410.515 -0.107 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)CC1=O ZINC000785643875 1070303243 /nfs/dbraw/zinc/30/32/43/1070303243.db2.gz BIZSRZWMYCAGOQ-HUUCEWRRSA-N 1 0 410.515 -0.107 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)CC1=O ZINC000785643877 1070302780 /nfs/dbraw/zinc/30/27/80/1070302780.db2.gz BIZSRZWMYCAGOQ-LSDHHAIUSA-N 1 0 410.515 -0.107 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)CC1=O ZINC000785644459 1070302849 /nfs/dbraw/zinc/30/28/49/1070302849.db2.gz CDJXSDHKEZEQRW-ARFHVFGLSA-N 1 0 408.499 -0.271 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)CC1=O ZINC000785644461 1070302811 /nfs/dbraw/zinc/30/28/11/1070302811.db2.gz CDJXSDHKEZEQRW-BZUAXINKSA-N 1 0 408.499 -0.271 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)CC1=O ZINC000785644463 1070303190 /nfs/dbraw/zinc/30/31/90/1070303190.db2.gz CDJXSDHKEZEQRW-OAGGEKHMSA-N 1 0 408.499 -0.271 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)CC1=O ZINC000785644465 1070302953 /nfs/dbraw/zinc/30/29/53/1070302953.db2.gz CDJXSDHKEZEQRW-XHSDSOJGSA-N 1 0 408.499 -0.271 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000785645296 1070303142 /nfs/dbraw/zinc/30/31/42/1070303142.db2.gz SYJJEHWWSCMUGT-DLBZAZTESA-N 1 0 424.523 -0.669 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000785645297 1070302670 /nfs/dbraw/zinc/30/26/70/1070302670.db2.gz SYJJEHWWSCMUGT-IAGOWNOFSA-N 1 0 424.523 -0.669 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000785645299 1070303046 /nfs/dbraw/zinc/30/30/46/1070303046.db2.gz SYJJEHWWSCMUGT-IRXDYDNUSA-N 1 0 424.523 -0.669 20 0 HBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000785645301 1070303310 /nfs/dbraw/zinc/30/33/10/1070303310.db2.gz SYJJEHWWSCMUGT-SJORKVTESA-N 1 0 424.523 -0.669 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1=O ZINC000785647739 1070303502 /nfs/dbraw/zinc/30/35/02/1070303502.db2.gz WWCGFOHHFCCFAQ-BFYDXBDKSA-N 1 0 422.526 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1=O ZINC000785647741 1070304008 /nfs/dbraw/zinc/30/40/08/1070304008.db2.gz WWCGFOHHFCCFAQ-HLLBOEOZSA-N 1 0 422.526 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1=O ZINC000785647742 1070303806 /nfs/dbraw/zinc/30/38/06/1070303806.db2.gz WWCGFOHHFCCFAQ-YQQAZPJKSA-N 1 0 422.526 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1=O ZINC000785647743 1070303557 /nfs/dbraw/zinc/30/35/57/1070303557.db2.gz WWCGFOHHFCCFAQ-ZMSDIMECSA-N 1 0 422.526 -0.012 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O ZINC000785647817 1070303463 /nfs/dbraw/zinc/30/34/63/1070303463.db2.gz LTZAGNZXVBWJQC-MWDXBVQZSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000785647818 1070303948 /nfs/dbraw/zinc/30/39/48/1070303948.db2.gz LTZAGNZXVBWJQC-QBPKDAKJSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000785647819 1070303729 /nfs/dbraw/zinc/30/37/29/1070303729.db2.gz LTZAGNZXVBWJQC-YLFCFFPRSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O ZINC000785647820 1070303913 /nfs/dbraw/zinc/30/39/13/1070303913.db2.gz LTZAGNZXVBWJQC-YYIAUSFCSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785651029 1070304043 /nfs/dbraw/zinc/30/40/43/1070304043.db2.gz SSMACPYNYLOIFB-BPQIPLTHSA-N 1 0 422.526 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785651031 1070303691 /nfs/dbraw/zinc/30/36/91/1070303691.db2.gz SSMACPYNYLOIFB-CGTJXYLNSA-N 1 0 422.526 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785651033 1070303877 /nfs/dbraw/zinc/30/38/77/1070303877.db2.gz SSMACPYNYLOIFB-KBAYOESNSA-N 1 0 422.526 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785651035 1070303593 /nfs/dbraw/zinc/30/35/93/1070303593.db2.gz SSMACPYNYLOIFB-RYQLBKOJSA-N 1 0 422.526 -0.058 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000785652272 1070304557 /nfs/dbraw/zinc/30/45/57/1070304557.db2.gz IRMLAQDERRVFHZ-BHYGNILZSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000785652273 1070304143 /nfs/dbraw/zinc/30/41/43/1070304143.db2.gz IRMLAQDERRVFHZ-DJIMGWMZSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000785652274 1070304259 /nfs/dbraw/zinc/30/42/59/1070304259.db2.gz IRMLAQDERRVFHZ-HYVNUMGLSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1=O ZINC000785652275 1070304470 /nfs/dbraw/zinc/30/44/70/1070304470.db2.gz IRMLAQDERRVFHZ-USXIJHARSA-N 1 0 422.526 -0.025 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785652536 1070304592 /nfs/dbraw/zinc/30/45/92/1070304592.db2.gz YHCSPTFIJISUAX-DLBZAZTESA-N 1 0 408.499 -0.447 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785652537 1070304181 /nfs/dbraw/zinc/30/41/81/1070304181.db2.gz YHCSPTFIJISUAX-IAGOWNOFSA-N 1 0 408.499 -0.447 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785652538 1070304629 /nfs/dbraw/zinc/30/46/29/1070304629.db2.gz YHCSPTFIJISUAX-IRXDYDNUSA-N 1 0 408.499 -0.447 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CC1=O ZINC000785652539 1070304404 /nfs/dbraw/zinc/30/44/04/1070304404.db2.gz YHCSPTFIJISUAX-SJORKVTESA-N 1 0 408.499 -0.447 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CC1=O ZINC000785653740 1070305178 /nfs/dbraw/zinc/30/51/78/1070305178.db2.gz OLJVRHRELHPAMA-AEFFLSMTSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CC1=O ZINC000785653741 1070305560 /nfs/dbraw/zinc/30/55/60/1070305560.db2.gz OLJVRHRELHPAMA-FUHWJXTLSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CC1=O ZINC000785653742 1070305353 /nfs/dbraw/zinc/30/53/53/1070305353.db2.gz OLJVRHRELHPAMA-SJLPKXTDSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)CC1=O ZINC000785653743 1070304999 /nfs/dbraw/zinc/30/49/99/1070304999.db2.gz OLJVRHRELHPAMA-WMZOPIPTSA-N 1 0 422.526 -0.011 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NC(=O)N[C@H](C)COC)CC1=O ZINC000785655265 1070305449 /nfs/dbraw/zinc/30/54/49/1070305449.db2.gz SFVLKUBDHUBDDM-QLFBSQMISA-N 1 0 412.487 -0.277 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NC(=O)N[C@H](C)COC)CC1=O ZINC000785655275 1070305599 /nfs/dbraw/zinc/30/55/99/1070305599.db2.gz SFVLKUBDHUBDDM-RBSFLKMASA-N 1 0 412.487 -0.277 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NC(=O)N[C@@H](C)COC)CC1=O ZINC000785655280 1070304958 /nfs/dbraw/zinc/30/49/58/1070304958.db2.gz SFVLKUBDHUBDDM-RRFJBIMHSA-N 1 0 412.487 -0.277 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NC(=O)N[C@@H](C)COC)CC1=O ZINC000785655288 1070305626 /nfs/dbraw/zinc/30/56/26/1070305626.db2.gz SFVLKUBDHUBDDM-SOUVJXGZSA-N 1 0 412.487 -0.277 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2nc(CS(C)(=O)=O)no2)CC1=O ZINC000785658833 1070307686 /nfs/dbraw/zinc/30/76/86/1070307686.db2.gz YHKZKUHCSDMFEN-CHWSQXEVSA-N 1 0 414.484 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2nc(CS(C)(=O)=O)no2)CC1=O ZINC000785658836 1070307200 /nfs/dbraw/zinc/30/72/00/1070307200.db2.gz YHKZKUHCSDMFEN-OLZOCXBDSA-N 1 0 414.484 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2nc(CS(C)(=O)=O)no2)CC1=O ZINC000785658844 1070307664 /nfs/dbraw/zinc/30/76/64/1070307664.db2.gz YHKZKUHCSDMFEN-QWHCGFSZSA-N 1 0 414.484 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2nc(CS(C)(=O)=O)no2)CC1=O ZINC000785658850 1070307559 /nfs/dbraw/zinc/30/75/59/1070307559.db2.gz YHKZKUHCSDMFEN-STQMWFEESA-N 1 0 414.484 -0.010 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NCC(=O)N2CCCC2)CC1=O ZINC000785659403 1070307317 /nfs/dbraw/zinc/30/73/17/1070307317.db2.gz ZUUNFOITFNWEIO-CVEARBPZSA-N 1 0 408.499 -0.399 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NCC(=O)N2CCCC2)CC1=O ZINC000785659404 1070307480 /nfs/dbraw/zinc/30/74/80/1070307480.db2.gz ZUUNFOITFNWEIO-HOTGVXAUSA-N 1 0 408.499 -0.399 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NCC(=O)N2CCCC2)CC1=O ZINC000785659405 1070307017 /nfs/dbraw/zinc/30/70/17/1070307017.db2.gz ZUUNFOITFNWEIO-HZPDHXFCSA-N 1 0 408.499 -0.399 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NCC(=O)N2CCCC2)CC1=O ZINC000785659406 1070307241 /nfs/dbraw/zinc/30/72/41/1070307241.db2.gz ZUUNFOITFNWEIO-JKSUJKDBSA-N 1 0 408.499 -0.399 20 0 HBADRO O=C(COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000785660553 1070308075 /nfs/dbraw/zinc/30/80/75/1070308075.db2.gz QPSSNHJCDWCXEP-INIZCTEOSA-N 1 0 422.526 -0.547 20 0 HBADRO O=C(COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000785660556 1070309332 /nfs/dbraw/zinc/30/93/32/1070309332.db2.gz QPSSNHJCDWCXEP-MRXNPFEDSA-N 1 0 422.526 -0.547 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000785663100 1070310476 /nfs/dbraw/zinc/31/04/76/1070310476.db2.gz UZVILAFKIKRXJS-KRWDZBQOSA-N 1 0 424.542 -0.301 20 0 HBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000785663106 1070310771 /nfs/dbraw/zinc/31/07/71/1070310771.db2.gz UZVILAFKIKRXJS-QGZVFWFLSA-N 1 0 424.542 -0.301 20 0 HBADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)CC2 ZINC000785796945 1070313673 /nfs/dbraw/zinc/31/36/73/1070313673.db2.gz VWNBJRXPJQUOQX-UHFFFAOYSA-N 1 0 402.455 -0.091 20 0 HBADRO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785861811 1070314875 /nfs/dbraw/zinc/31/48/75/1070314875.db2.gz JUASHGZWVQCKGX-DLBZAZTESA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785861816 1070314800 /nfs/dbraw/zinc/31/48/00/1070314800.db2.gz JUASHGZWVQCKGX-IAGOWNOFSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785861822 1070314593 /nfs/dbraw/zinc/31/45/93/1070314593.db2.gz JUASHGZWVQCKGX-IRXDYDNUSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785861828 1070314653 /nfs/dbraw/zinc/31/46/53/1070314653.db2.gz JUASHGZWVQCKGX-SJORKVTESA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(c1ccc2c[nH+]cn2c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000785879647 1070314253 /nfs/dbraw/zinc/31/42/53/1070314253.db2.gz GUFVRDRWJGBSLN-HNNXBMFYSA-N 1 0 412.493 -0.391 20 0 HBADRO O=C(c1ccc2c[nH+]cn2c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000785879649 1070314212 /nfs/dbraw/zinc/31/42/12/1070314212.db2.gz GUFVRDRWJGBSLN-OAHLLOKOSA-N 1 0 412.493 -0.391 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000786001640 1070317720 /nfs/dbraw/zinc/31/77/20/1070317720.db2.gz DDIDLFXBQLVUFN-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000786005366 1070317426 /nfs/dbraw/zinc/31/74/26/1070317426.db2.gz WQRFRKJMPOXLDB-UHFFFAOYSA-N 1 0 411.528 -0.179 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786084198 1070319819 /nfs/dbraw/zinc/31/98/19/1070319819.db2.gz OBVWGNKVWODYGV-CVEARBPZSA-N 1 0 424.523 -0.468 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786084199 1070319476 /nfs/dbraw/zinc/31/94/76/1070319476.db2.gz OBVWGNKVWODYGV-HOTGVXAUSA-N 1 0 424.523 -0.468 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786084200 1070319355 /nfs/dbraw/zinc/31/93/55/1070319355.db2.gz OBVWGNKVWODYGV-HZPDHXFCSA-N 1 0 424.523 -0.468 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786084201 1070319628 /nfs/dbraw/zinc/31/96/28/1070319628.db2.gz OBVWGNKVWODYGV-JKSUJKDBSA-N 1 0 424.523 -0.468 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000786094849 1070319683 /nfs/dbraw/zinc/31/96/83/1070319683.db2.gz BUDYBGMEUHOOGT-UHFFFAOYSA-N 1 0 424.542 -0.203 20 0 HBADRO CN(CCCNC(=O)COC(=O)CC1([NH+]2CCOCC2)CCCC1)S(C)(=O)=O ZINC000786096068 1070319589 /nfs/dbraw/zinc/31/95/89/1070319589.db2.gz MUKBUFFJNWFENK-UHFFFAOYSA-N 1 0 419.544 -0.038 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCCC4(C3)OCCO4)cn2)CC1 ZINC000786129320 1070321217 /nfs/dbraw/zinc/32/12/17/1070321217.db2.gz LKBFRXRWQSCFNF-UHFFFAOYSA-N 1 0 403.483 -0.185 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000786129882 1070321420 /nfs/dbraw/zinc/32/14/20/1070321420.db2.gz RTAGQDRAMRTNBJ-UHFFFAOYSA-N 1 0 411.528 -0.657 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(CCS(C)(=O)=O)C3CC3)cn2)CC1 ZINC000786130316 1070321144 /nfs/dbraw/zinc/32/11/44/1070321144.db2.gz WAAVYESWCSCCEO-UHFFFAOYSA-N 1 0 423.539 -0.515 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000786130453 1070321368 /nfs/dbraw/zinc/32/13/68/1070321368.db2.gz YFCNXCHSRIMERK-UHFFFAOYSA-N 1 0 418.498 -0.250 20 0 HBADRO COC(=O)N1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000786138014 1070321917 /nfs/dbraw/zinc/32/19/17/1070321917.db2.gz OINKTXRBEHTOCY-INIZCTEOSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000786138017 1070322132 /nfs/dbraw/zinc/32/21/32/1070322132.db2.gz OINKTXRBEHTOCY-MRXNPFEDSA-N 1 0 418.498 -0.203 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC4(CC3)OCCO4)cn2)CC1 ZINC000786138386 1070321666 /nfs/dbraw/zinc/32/16/66/1070321666.db2.gz TWWASJYCDGWPHZ-UHFFFAOYSA-N 1 0 403.483 -0.185 20 0 HBADRO COC(=O)CCc1cccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000786430525 1070330192 /nfs/dbraw/zinc/33/01/92/1070330192.db2.gz YCTFQPMCCMPCIU-KRWDZBQOSA-N 1 0 407.467 -0.118 20 0 HBADRO COC(=O)CCc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000786430528 1070330109 /nfs/dbraw/zinc/33/01/09/1070330109.db2.gz YCTFQPMCCMPCIU-QGZVFWFLSA-N 1 0 407.467 -0.118 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)N1CC[NH+](C)CC1 ZINC000786627556 1070335494 /nfs/dbraw/zinc/33/54/94/1070335494.db2.gz LTHUZSYQKORASA-INIZCTEOSA-N 1 0 404.577 -0.344 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)N1CC[NH+](C)CC1 ZINC000786627557 1070335155 /nfs/dbraw/zinc/33/51/55/1070335155.db2.gz LTHUZSYQKORASA-MRXNPFEDSA-N 1 0 404.577 -0.344 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1)N1CC[NH+](C)CC1 ZINC000786628874 1070335402 /nfs/dbraw/zinc/33/54/02/1070335402.db2.gz QEKHKNODGVJPRR-INIZCTEOSA-N 1 0 402.561 -0.590 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1)N1CC[NH+](C)CC1 ZINC000786628920 1070335241 /nfs/dbraw/zinc/33/52/41/1070335241.db2.gz QEKHKNODGVJPRR-MRXNPFEDSA-N 1 0 402.561 -0.590 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)N1CC[NH+](C)CC1 ZINC000786630372 1070335431 /nfs/dbraw/zinc/33/54/31/1070335431.db2.gz WTRQCFLFXTYUOI-DLBZAZTESA-N 1 0 412.531 -0.587 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)N1CC[NH+](C)CC1 ZINC000786630373 1070335017 /nfs/dbraw/zinc/33/50/17/1070335017.db2.gz WTRQCFLFXTYUOI-IAGOWNOFSA-N 1 0 412.531 -0.587 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)N1CC[NH+](C)CC1 ZINC000786630374 1070335074 /nfs/dbraw/zinc/33/50/74/1070335074.db2.gz WTRQCFLFXTYUOI-IRXDYDNUSA-N 1 0 412.531 -0.587 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)N1CC[NH+](C)CC1 ZINC000786630375 1070335335 /nfs/dbraw/zinc/33/53/35/1070335335.db2.gz WTRQCFLFXTYUOI-SJORKVTESA-N 1 0 412.531 -0.587 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC000786649272 1070337733 /nfs/dbraw/zinc/33/77/33/1070337733.db2.gz JSWOFLMQPUPQAI-CSODHUTKSA-N 1 0 424.542 -0.587 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC000786649274 1070338051 /nfs/dbraw/zinc/33/80/51/1070338051.db2.gz JSWOFLMQPUPQAI-XGHQBKJUSA-N 1 0 424.542 -0.587 20 0 HBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000786662911 1070336591 /nfs/dbraw/zinc/33/65/91/1070336591.db2.gz MXZSOSIZLWJALK-CVEARBPZSA-N 1 0 406.458 -0.040 20 0 HBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000786662919 1070336407 /nfs/dbraw/zinc/33/64/07/1070336407.db2.gz MXZSOSIZLWJALK-HOTGVXAUSA-N 1 0 406.458 -0.040 20 0 HBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000786662920 1070336790 /nfs/dbraw/zinc/33/67/90/1070336790.db2.gz MXZSOSIZLWJALK-HZPDHXFCSA-N 1 0 406.458 -0.040 20 0 HBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000786662923 1070336523 /nfs/dbraw/zinc/33/65/23/1070336523.db2.gz MXZSOSIZLWJALK-JKSUJKDBSA-N 1 0 406.458 -0.040 20 0 HBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786663312 1070336738 /nfs/dbraw/zinc/33/67/38/1070336738.db2.gz QNDQYFVKKBKGFI-CABCVRRESA-N 1 0 410.496 -0.940 20 0 HBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786663315 1070336687 /nfs/dbraw/zinc/33/66/87/1070336687.db2.gz QNDQYFVKKBKGFI-GJZGRUSLSA-N 1 0 410.496 -0.940 20 0 HBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786663319 1070336354 /nfs/dbraw/zinc/33/63/54/1070336354.db2.gz QNDQYFVKKBKGFI-HUUCEWRRSA-N 1 0 410.496 -0.940 20 0 HBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786663322 1070336231 /nfs/dbraw/zinc/33/62/31/1070336231.db2.gz QNDQYFVKKBKGFI-LSDHHAIUSA-N 1 0 410.496 -0.940 20 0 HBADRO C[NH+]1CCC(n2ccc(NC(=O)NCCS(=O)(=O)N3CCOCC3)n2)CC1 ZINC000786696827 1070337695 /nfs/dbraw/zinc/33/76/95/1070337695.db2.gz NMFOYFVQZHJFHB-UHFFFAOYSA-N 1 0 400.505 -0.067 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786706246 1070338414 /nfs/dbraw/zinc/33/84/14/1070338414.db2.gz WUYQOSPVUXMQTJ-UHFFFAOYSA-N 1 0 413.519 -0.360 20 0 HBADRO CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000786720689 1070341231 /nfs/dbraw/zinc/34/12/31/1070341231.db2.gz SHTJYYPDFXUSGX-UHFFFAOYSA-N 1 0 411.503 -0.606 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786720762 1070341319 /nfs/dbraw/zinc/34/13/19/1070341319.db2.gz SXSNNVVJVQFTCK-UHFFFAOYSA-N 1 0 413.519 -0.314 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786725577 1070339305 /nfs/dbraw/zinc/33/93/05/1070339305.db2.gz TVDISWRYVKEMFW-AWEZNQCLSA-N 1 0 411.503 -0.608 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000786725582 1070339762 /nfs/dbraw/zinc/33/97/62/1070339762.db2.gz TVDISWRYVKEMFW-CQSZACIVSA-N 1 0 411.503 -0.608 20 0 HBADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000786816559 1070342907 /nfs/dbraw/zinc/34/29/07/1070342907.db2.gz YWRPFNQYZOFSAI-INIZCTEOSA-N 1 0 423.491 -0.009 20 0 HBADRO O=C(COC(=O)CC[N@@H+]1CCc2ccccc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000786816561 1070342955 /nfs/dbraw/zinc/34/29/55/1070342955.db2.gz YWRPFNQYZOFSAI-MRXNPFEDSA-N 1 0 423.491 -0.009 20 0 HBADRO Cn1c(N)c(C(=O)COC(=O)CC[N@@H+]2CCc3ccccc3C2)c(=O)n(C)c1=O ZINC000786828812 1070342294 /nfs/dbraw/zinc/34/22/94/1070342294.db2.gz ZNTTUJZNXLWCCC-UHFFFAOYSA-N 1 0 400.435 -0.160 20 0 HBADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000786878653 1070344426 /nfs/dbraw/zinc/34/44/26/1070344426.db2.gz HCUQGTYDDKKWKO-GXTWGEPZSA-N 1 0 401.485 -0.051 20 0 HBADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000786878820 1070344658 /nfs/dbraw/zinc/34/46/58/1070344658.db2.gz HCUQGTYDDKKWKO-JSGCOSHPSA-N 1 0 401.485 -0.051 20 0 HBADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000786878823 1070344536 /nfs/dbraw/zinc/34/45/36/1070344536.db2.gz HCUQGTYDDKKWKO-OCCSQVGLSA-N 1 0 401.485 -0.051 20 0 HBADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000786878825 1070344336 /nfs/dbraw/zinc/34/43/36/1070344336.db2.gz HCUQGTYDDKKWKO-TZMCWYRMSA-N 1 0 401.485 -0.051 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC000786958531 1070346042 /nfs/dbraw/zinc/34/60/42/1070346042.db2.gz MLXFXLHFHUMKCF-CABCVRRESA-N 1 0 407.458 -0.032 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC000786958535 1070346158 /nfs/dbraw/zinc/34/61/58/1070346158.db2.gz MLXFXLHFHUMKCF-GJZGRUSLSA-N 1 0 407.458 -0.032 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC000786958541 1070346099 /nfs/dbraw/zinc/34/60/99/1070346099.db2.gz MLXFXLHFHUMKCF-HUUCEWRRSA-N 1 0 407.458 -0.032 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC000786958546 1070346009 /nfs/dbraw/zinc/34/60/09/1070346009.db2.gz MLXFXLHFHUMKCF-LSDHHAIUSA-N 1 0 407.458 -0.032 20 0 HBADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000787053939 1070354790 /nfs/dbraw/zinc/35/47/90/1070354790.db2.gz LWHPCSXGEKBUHA-CABCVRRESA-N 1 0 405.542 -0.726 20 0 HBADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000787053943 1070354896 /nfs/dbraw/zinc/35/48/96/1070354896.db2.gz LWHPCSXGEKBUHA-GJZGRUSLSA-N 1 0 405.542 -0.726 20 0 HBADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000787053945 1070354574 /nfs/dbraw/zinc/35/45/74/1070354574.db2.gz LWHPCSXGEKBUHA-HUUCEWRRSA-N 1 0 405.542 -0.726 20 0 HBADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000787053948 1070354530 /nfs/dbraw/zinc/35/45/30/1070354530.db2.gz LWHPCSXGEKBUHA-LSDHHAIUSA-N 1 0 405.542 -0.726 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000787073268 1070351694 /nfs/dbraw/zinc/35/16/94/1070351694.db2.gz SUSGIIDIUZZJOK-BLLLJJGKSA-N 1 0 421.420 -0.487 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000787073270 1070351979 /nfs/dbraw/zinc/35/19/79/1070351979.db2.gz SUSGIIDIUZZJOK-LRDDRELGSA-N 1 0 421.420 -0.487 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000787073272 1070351533 /nfs/dbraw/zinc/35/15/33/1070351533.db2.gz SUSGIIDIUZZJOK-MLGOLLRUSA-N 1 0 421.420 -0.487 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000787073274 1070351807 /nfs/dbraw/zinc/35/18/07/1070351807.db2.gz SUSGIIDIUZZJOK-WBMJQRKESA-N 1 0 421.420 -0.487 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787093728 1070354067 /nfs/dbraw/zinc/35/40/67/1070354067.db2.gz MVVVRLZOYGYSRZ-DLBZAZTESA-N 1 0 404.467 -0.133 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787093731 1070354219 /nfs/dbraw/zinc/35/42/19/1070354219.db2.gz MVVVRLZOYGYSRZ-IAGOWNOFSA-N 1 0 404.467 -0.133 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787093733 1070354992 /nfs/dbraw/zinc/35/49/92/1070354992.db2.gz MVVVRLZOYGYSRZ-IRXDYDNUSA-N 1 0 404.467 -0.133 20 0 HBADRO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787093735 1070354664 /nfs/dbraw/zinc/35/46/64/1070354664.db2.gz MVVVRLZOYGYSRZ-SJORKVTESA-N 1 0 404.467 -0.133 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787103122 1070356059 /nfs/dbraw/zinc/35/60/59/1070356059.db2.gz BVCCRLDNAAGREJ-GOSISDBHSA-N 1 0 423.558 -0.585 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787103125 1070356040 /nfs/dbraw/zinc/35/60/40/1070356040.db2.gz BVCCRLDNAAGREJ-SFHVURJKSA-N 1 0 423.558 -0.585 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787104014 1070356105 /nfs/dbraw/zinc/35/61/05/1070356105.db2.gz FCQZIEZGJARYBB-CVEARBPZSA-N 1 0 416.544 -0.714 20 0 HBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787104031 1070355879 /nfs/dbraw/zinc/35/58/79/1070355879.db2.gz FCQZIEZGJARYBB-HZPDHXFCSA-N 1 0 416.544 -0.714 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC000787104216 1070356233 /nfs/dbraw/zinc/35/62/33/1070356233.db2.gz GCUUCHFTONOQAP-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO CCN(CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC000787104219 1070355946 /nfs/dbraw/zinc/35/59/46/1070355946.db2.gz GCUUCHFTONOQAP-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000787105277 1070356609 /nfs/dbraw/zinc/35/66/09/1070356609.db2.gz LHCYWRAHKWGNLZ-KRWDZBQOSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000787105279 1070356704 /nfs/dbraw/zinc/35/67/04/1070356704.db2.gz LHCYWRAHKWGNLZ-QGZVFWFLSA-N 1 0 402.499 -0.115 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787105402 1070355967 /nfs/dbraw/zinc/35/59/67/1070355967.db2.gz LTXLGIJEPIULEP-CVEARBPZSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787105404 1070356525 /nfs/dbraw/zinc/35/65/25/1070356525.db2.gz LTXLGIJEPIULEP-HOTGVXAUSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787105405 1070356739 /nfs/dbraw/zinc/35/67/39/1070356739.db2.gz LTXLGIJEPIULEP-HZPDHXFCSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787105410 1070356559 /nfs/dbraw/zinc/35/65/59/1070356559.db2.gz LTXLGIJEPIULEP-JKSUJKDBSA-N 1 0 416.544 -0.714 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000787106830 1070356542 /nfs/dbraw/zinc/35/65/42/1070356542.db2.gz OJGIXXJZPRMZEN-DLBZAZTESA-N 1 0 410.515 -0.500 20 0 HBADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000787106831 1070356721 /nfs/dbraw/zinc/35/67/21/1070356721.db2.gz OJGIXXJZPRMZEN-IAGOWNOFSA-N 1 0 410.515 -0.500 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000787106832 1070356592 /nfs/dbraw/zinc/35/65/92/1070356592.db2.gz OJGIXXJZPRMZEN-IRXDYDNUSA-N 1 0 410.515 -0.500 20 0 HBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000787106833 1070356465 /nfs/dbraw/zinc/35/64/65/1070356465.db2.gz OJGIXXJZPRMZEN-SJORKVTESA-N 1 0 410.515 -0.500 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787108594 1070356650 /nfs/dbraw/zinc/35/66/50/1070356650.db2.gz UKJWUYQAVGCMHP-GOSISDBHSA-N 1 0 418.542 -0.176 20 0 HBADRO Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787108595 1070356446 /nfs/dbraw/zinc/35/64/46/1070356446.db2.gz UKJWUYQAVGCMHP-SFHVURJKSA-N 1 0 418.542 -0.176 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cn1 ZINC000787108712 1070356501 /nfs/dbraw/zinc/35/65/01/1070356501.db2.gz PUMNIIUJMZQQOV-GOSISDBHSA-N 1 0 404.515 -0.172 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cn1 ZINC000787108724 1070356483 /nfs/dbraw/zinc/35/64/83/1070356483.db2.gz PUMNIIUJMZQQOV-SFHVURJKSA-N 1 0 404.515 -0.172 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787108827 1070356631 /nfs/dbraw/zinc/35/66/31/1070356631.db2.gz QDIUSWOYPNUECN-CVEARBPZSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787108830 1070356686 /nfs/dbraw/zinc/35/66/86/1070356686.db2.gz QDIUSWOYPNUECN-HOTGVXAUSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787108834 1070356669 /nfs/dbraw/zinc/35/66/69/1070356669.db2.gz QDIUSWOYPNUECN-HZPDHXFCSA-N 1 0 416.544 -0.714 20 0 HBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787108839 1070356577 /nfs/dbraw/zinc/35/65/77/1070356577.db2.gz QDIUSWOYPNUECN-JKSUJKDBSA-N 1 0 416.544 -0.714 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000787109456 1070354844 /nfs/dbraw/zinc/35/48/44/1070354844.db2.gz SBDYBRXEEKWFNQ-KRWDZBQOSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000787109460 1070355056 /nfs/dbraw/zinc/35/50/56/1070355056.db2.gz SBDYBRXEEKWFNQ-QGZVFWFLSA-N 1 0 402.499 -0.115 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787111673 1070354624 /nfs/dbraw/zinc/35/46/24/1070354624.db2.gz BEBYHQFYJBKVOW-INIZCTEOSA-N 1 0 409.531 -0.846 20 0 HBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787111677 1070354648 /nfs/dbraw/zinc/35/46/48/1070354648.db2.gz BEBYHQFYJBKVOW-MRXNPFEDSA-N 1 0 409.531 -0.846 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787116335 1070355045 /nfs/dbraw/zinc/35/50/45/1070355045.db2.gz MUXJOESPLPUESA-CVEARBPZSA-N 1 0 416.544 -0.714 20 0 HBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787116336 1070354879 /nfs/dbraw/zinc/35/48/79/1070354879.db2.gz MUXJOESPLPUESA-HOTGVXAUSA-N 1 0 416.544 -0.714 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787116338 1070355035 /nfs/dbraw/zinc/35/50/35/1070355035.db2.gz MUXJOESPLPUESA-HZPDHXFCSA-N 1 0 416.544 -0.714 20 0 HBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787116340 1070354513 /nfs/dbraw/zinc/35/45/13/1070354513.db2.gz MUXJOESPLPUESA-JKSUJKDBSA-N 1 0 416.544 -0.714 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787118058 1070354713 /nfs/dbraw/zinc/35/47/13/1070354713.db2.gz TZWDVPJVWHYXAQ-KRWDZBQOSA-N 1 0 409.531 -0.974 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787118059 1070355437 /nfs/dbraw/zinc/35/54/37/1070355437.db2.gz TZWDVPJVWHYXAQ-QGZVFWFLSA-N 1 0 409.531 -0.974 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787119886 1070355421 /nfs/dbraw/zinc/35/54/21/1070355421.db2.gz YYRICYRWMRGXHP-MSOLQXFVSA-N 1 0 422.526 -0.404 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787119893 1070355581 /nfs/dbraw/zinc/35/55/81/1070355581.db2.gz YYRICYRWMRGXHP-QZTJIDSGSA-N 1 0 422.526 -0.404 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787119896 1070355258 /nfs/dbraw/zinc/35/52/58/1070355258.db2.gz YYRICYRWMRGXHP-ROUUACIJSA-N 1 0 422.526 -0.404 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787119898 1070355470 /nfs/dbraw/zinc/35/54/70/1070355470.db2.gz YYRICYRWMRGXHP-ZWKOTPCHSA-N 1 0 422.526 -0.404 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787120249 1070355370 /nfs/dbraw/zinc/35/53/70/1070355370.db2.gz BLJJNYHARSRRSO-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787120253 1070355278 /nfs/dbraw/zinc/35/52/78/1070355278.db2.gz BLJJNYHARSRRSO-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121657 1070355532 /nfs/dbraw/zinc/35/55/32/1070355532.db2.gz FRNVDILLGVMWIN-DLBZAZTESA-N 1 0 407.515 -0.192 20 0 HBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121660 1070355406 /nfs/dbraw/zinc/35/54/06/1070355406.db2.gz FRNVDILLGVMWIN-IAGOWNOFSA-N 1 0 407.515 -0.192 20 0 HBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121662 1070355565 /nfs/dbraw/zinc/35/55/65/1070355565.db2.gz FRNVDILLGVMWIN-IRXDYDNUSA-N 1 0 407.515 -0.192 20 0 HBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121664 1070355353 /nfs/dbraw/zinc/35/53/53/1070355353.db2.gz FRNVDILLGVMWIN-SJORKVTESA-N 1 0 407.515 -0.192 20 0 HBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)n1 ZINC000787121681 1070355513 /nfs/dbraw/zinc/35/55/13/1070355513.db2.gz FVZLGTVJZMVICB-AWEZNQCLSA-N 1 0 423.543 -0.472 20 0 HBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)n1 ZINC000787121684 1070355388 /nfs/dbraw/zinc/35/53/88/1070355388.db2.gz FVZLGTVJZMVICB-CQSZACIVSA-N 1 0 423.543 -0.472 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000787122696 1070355596 /nfs/dbraw/zinc/35/55/96/1070355596.db2.gz JDYSTKDHBJAFQB-KRWDZBQOSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000787122697 1070355492 /nfs/dbraw/zinc/35/54/92/1070355492.db2.gz JDYSTKDHBJAFQB-QGZVFWFLSA-N 1 0 402.499 -0.115 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123071 1070358659 /nfs/dbraw/zinc/35/86/59/1070358659.db2.gz JOSJFSGIPRWNNG-KRWDZBQOSA-N 1 0 403.483 -0.313 20 0 HBADRO O=C(NCCNC(=O)c1cccnc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123072 1070358581 /nfs/dbraw/zinc/35/85/81/1070358581.db2.gz JOSJFSGIPRWNNG-QGZVFWFLSA-N 1 0 403.483 -0.313 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2=O)cn1 ZINC000787125902 1070358496 /nfs/dbraw/zinc/35/84/96/1070358496.db2.gz QAGGALXDFJCAIO-KRWDZBQOSA-N 1 0 418.498 -0.645 20 0 HBADRO Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2=O)cn1 ZINC000787125903 1070358326 /nfs/dbraw/zinc/35/83/26/1070358326.db2.gz QAGGALXDFJCAIO-QGZVFWFLSA-N 1 0 418.498 -0.645 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cn1 ZINC000787125944 1070358619 /nfs/dbraw/zinc/35/86/19/1070358619.db2.gz QVBPLBFZUDWWKM-IBGZPJMESA-N 1 0 418.542 -0.176 20 0 HBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cn1 ZINC000787125945 1070358418 /nfs/dbraw/zinc/35/84/18/1070358418.db2.gz QVBPLBFZUDWWKM-LJQANCHMSA-N 1 0 418.542 -0.176 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000787128875 1070358346 /nfs/dbraw/zinc/35/83/46/1070358346.db2.gz WHEHHROOLNILCZ-CYBMUJFWSA-N 1 0 406.405 -0.063 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000787128878 1070358265 /nfs/dbraw/zinc/35/82/65/1070358265.db2.gz WHEHHROOLNILCZ-ZDUSSCGKSA-N 1 0 406.405 -0.063 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000787129210 1070358438 /nfs/dbraw/zinc/35/84/38/1070358438.db2.gz JRXNKDXPMZGJJF-HNNXBMFYSA-N 1 0 404.533 -0.457 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000787129214 1070358676 /nfs/dbraw/zinc/35/86/76/1070358676.db2.gz JRXNKDXPMZGJJF-OAHLLOKOSA-N 1 0 404.533 -0.457 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1)NC1CC1 ZINC000787130111 1070357381 /nfs/dbraw/zinc/35/73/81/1070357381.db2.gz MBPNVRBJENIZQV-GOSISDBHSA-N 1 0 421.542 -0.831 20 0 HBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1)NC1CC1 ZINC000787130117 1070357047 /nfs/dbraw/zinc/35/70/47/1070357047.db2.gz MBPNVRBJENIZQV-SFHVURJKSA-N 1 0 421.542 -0.831 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C[C@H]1COCC2 ZINC000787130149 1070357263 /nfs/dbraw/zinc/35/72/63/1070357263.db2.gz MDGUIHPPAKHAQO-HZUJVAHNSA-N 1 0 423.510 -0.216 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C[C@H]1COCC2 ZINC000787130164 1070356925 /nfs/dbraw/zinc/35/69/25/1070356925.db2.gz MDGUIHPPAKHAQO-LUQKVYGDSA-N 1 0 423.510 -0.216 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787131562 1070357208 /nfs/dbraw/zinc/35/72/08/1070357208.db2.gz VXGDHXNUPGXXHQ-KRWDZBQOSA-N 1 0 424.542 -0.158 20 0 HBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787131566 1070356907 /nfs/dbraw/zinc/35/69/07/1070356907.db2.gz VXGDHXNUPGXXHQ-QGZVFWFLSA-N 1 0 424.542 -0.158 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787132443 1070357186 /nfs/dbraw/zinc/35/71/86/1070357186.db2.gz ZAEVAULQWDYEFB-KRWDZBQOSA-N 1 0 409.531 -0.974 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787132444 1070356985 /nfs/dbraw/zinc/35/69/85/1070356985.db2.gz ZAEVAULQWDYEFB-QGZVFWFLSA-N 1 0 409.531 -0.974 20 0 HBADRO CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787135329 1070357394 /nfs/dbraw/zinc/35/73/94/1070357394.db2.gz DNZJVBNJMVOPMU-AWEZNQCLSA-N 1 0 421.464 -0.250 20 0 HBADRO CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787135330 1070357348 /nfs/dbraw/zinc/35/73/48/1070357348.db2.gz DNZJVBNJMVOPMU-CQSZACIVSA-N 1 0 421.464 -0.250 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C[C@H]1COCC2 ZINC000787135646 1070357282 /nfs/dbraw/zinc/35/72/82/1070357282.db2.gz FCVXWWBNVRMJCC-MGPUTAFESA-N 1 0 410.515 -0.833 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000787137241 1070357102 /nfs/dbraw/zinc/35/71/02/1070357102.db2.gz ODMJVFFKYBWFFA-UHFFFAOYSA-N 1 0 424.567 -0.140 20 0 HBADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000787138751 1070356946 /nfs/dbraw/zinc/35/69/46/1070356946.db2.gz XUGKLFUVLXLYBC-MOPGFXCFSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000787138752 1070356874 /nfs/dbraw/zinc/35/68/74/1070356874.db2.gz XUGKLFUVLXLYBC-OALUTQOASA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000787138753 1070357317 /nfs/dbraw/zinc/35/73/17/1070357317.db2.gz XUGKLFUVLXLYBC-RBUKOAKNSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000787138754 1070357227 /nfs/dbraw/zinc/35/72/27/1070357227.db2.gz XUGKLFUVLXLYBC-RTBURBONSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000787138770 1070357008 /nfs/dbraw/zinc/35/70/08/1070357008.db2.gz YFHXKHYPPNVUCM-AEFFLSMTSA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000787138771 1070357590 /nfs/dbraw/zinc/35/75/90/1070357590.db2.gz YFHXKHYPPNVUCM-FUHWJXTLSA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000787138772 1070357714 /nfs/dbraw/zinc/35/77/14/1070357714.db2.gz YFHXKHYPPNVUCM-SJLPKXTDSA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000787138773 1070358001 /nfs/dbraw/zinc/35/80/01/1070358001.db2.gz YFHXKHYPPNVUCM-WMZOPIPTSA-N 1 0 420.558 -0.166 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140541 1070357831 /nfs/dbraw/zinc/35/78/31/1070357831.db2.gz SRYIJMTVBQASTO-AEFFLSMTSA-N 1 0 424.542 -0.158 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140547 1070358055 /nfs/dbraw/zinc/35/80/55/1070358055.db2.gz SRYIJMTVBQASTO-FUHWJXTLSA-N 1 0 424.542 -0.158 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140555 1070357748 /nfs/dbraw/zinc/35/77/48/1070357748.db2.gz SRYIJMTVBQASTO-SJLPKXTDSA-N 1 0 424.542 -0.158 20 0 HBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140561 1070357942 /nfs/dbraw/zinc/35/79/42/1070357942.db2.gz SRYIJMTVBQASTO-WMZOPIPTSA-N 1 0 424.542 -0.158 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000787142382 1070357799 /nfs/dbraw/zinc/35/77/99/1070357799.db2.gz ZGWWYGZQORHTIL-HKUYNNGSSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000787142390 1070358028 /nfs/dbraw/zinc/35/80/28/1070358028.db2.gz ZGWWYGZQORHTIL-IEBWSBKVSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000787142395 1070357623 /nfs/dbraw/zinc/35/76/23/1070357623.db2.gz ZGWWYGZQORHTIL-MJGOQNOKSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000787142401 1070357876 /nfs/dbraw/zinc/35/78/76/1070357876.db2.gz ZGWWYGZQORHTIL-PKOBYXMFSA-N 1 0 408.543 -0.073 20 0 HBADRO Cc1nc(Cn2cc(C(=O)OCC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)nn2)no1 ZINC000787164036 1070358968 /nfs/dbraw/zinc/35/89/68/1070358968.db2.gz QVIBHWDERCLHRD-AWEZNQCLSA-N 1 0 421.458 -0.352 20 0 HBADRO Cc1nc(Cn2cc(C(=O)OCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)nn2)no1 ZINC000787164056 1070359226 /nfs/dbraw/zinc/35/92/26/1070359226.db2.gz QVIBHWDERCLHRD-CQSZACIVSA-N 1 0 421.458 -0.352 20 0 HBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787174553 1070359513 /nfs/dbraw/zinc/35/95/13/1070359513.db2.gz JPCFBPJLUNIFQR-AEFFLSMTSA-N 1 0 418.494 -0.251 20 0 HBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787174555 1070359852 /nfs/dbraw/zinc/35/98/52/1070359852.db2.gz JPCFBPJLUNIFQR-FUHWJXTLSA-N 1 0 418.494 -0.251 20 0 HBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787174557 1070359771 /nfs/dbraw/zinc/35/97/71/1070359771.db2.gz JPCFBPJLUNIFQR-SJLPKXTDSA-N 1 0 418.494 -0.251 20 0 HBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787174559 1070359557 /nfs/dbraw/zinc/35/95/57/1070359557.db2.gz JPCFBPJLUNIFQR-WMZOPIPTSA-N 1 0 418.494 -0.251 20 0 HBADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787189826 1070361183 /nfs/dbraw/zinc/36/11/83/1070361183.db2.gz HWTDQTAGKMFANZ-DLBZAZTESA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787189831 1070361539 /nfs/dbraw/zinc/36/15/39/1070361539.db2.gz HWTDQTAGKMFANZ-IAGOWNOFSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787189835 1070361132 /nfs/dbraw/zinc/36/11/32/1070361132.db2.gz HWTDQTAGKMFANZ-IRXDYDNUSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787189841 1070361399 /nfs/dbraw/zinc/36/13/99/1070361399.db2.gz HWTDQTAGKMFANZ-SJORKVTESA-N 1 0 403.483 -0.486 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCCC4(C3)OCCO4)ccn2)CC1 ZINC000787196207 1070361066 /nfs/dbraw/zinc/36/10/66/1070361066.db2.gz HBNWVFLNPYZZGF-UHFFFAOYSA-N 1 0 403.483 -0.185 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N(CCS(C)(=O)=O)C3CC3)ccn2)CC1 ZINC000787197176 1070361241 /nfs/dbraw/zinc/36/12/41/1070361241.db2.gz KBAIAFXODPBCFE-UHFFFAOYSA-N 1 0 423.539 -0.515 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000787198771 1070361214 /nfs/dbraw/zinc/36/12/14/1070361214.db2.gz NMEBKKXUNAAYQC-UHFFFAOYSA-N 1 0 418.498 -0.250 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000787198894 1070361446 /nfs/dbraw/zinc/36/14/46/1070361446.db2.gz PFVLSEULHYMHBL-UHFFFAOYSA-N 1 0 411.528 -0.657 20 0 HBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC4(CC3)OCCO4)ccn2)CC1 ZINC000787200366 1070362253 /nfs/dbraw/zinc/36/22/53/1070362253.db2.gz UXTNVDYFJSRJBD-UHFFFAOYSA-N 1 0 403.483 -0.185 20 0 HBADRO COC(=O)N1CCC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000787201643 1070361960 /nfs/dbraw/zinc/36/19/60/1070361960.db2.gz YXVASGSIEJXBPT-INIZCTEOSA-N 1 0 418.498 -0.203 20 0 HBADRO COC(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000787201645 1070362135 /nfs/dbraw/zinc/36/21/35/1070362135.db2.gz YXVASGSIEJXBPT-MRXNPFEDSA-N 1 0 418.498 -0.203 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CCO1 ZINC000787202837 1070362206 /nfs/dbraw/zinc/36/22/06/1070362206.db2.gz MVIDCKSIDPSNRP-BPQIPLTHSA-N 1 0 417.510 -0.098 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CCO1 ZINC000787202838 1070361771 /nfs/dbraw/zinc/36/17/71/1070361771.db2.gz MVIDCKSIDPSNRP-KBAYOESNSA-N 1 0 417.510 -0.098 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CCO1 ZINC000787202839 1070362057 /nfs/dbraw/zinc/36/20/57/1070362057.db2.gz MVIDCKSIDPSNRP-NJAFHUGGSA-N 1 0 417.510 -0.098 20 0 HBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CCO1 ZINC000787202840 1070362163 /nfs/dbraw/zinc/36/21/63/1070362163.db2.gz MVIDCKSIDPSNRP-NXHRZFHOSA-N 1 0 417.510 -0.098 20 0 HBADRO O=C(NCc1ccc(-n2cncn2)nc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000787242593 1070362695 /nfs/dbraw/zinc/36/26/95/1070362695.db2.gz JKQJRMWZNIAZEP-UHFFFAOYSA-N 1 0 413.482 -0.151 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000787243995 1070362775 /nfs/dbraw/zinc/36/27/75/1070362775.db2.gz OKESTQWKCVZBND-OAHLLOKOSA-N 1 0 413.482 -0.010 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)C1 ZINC000787254810 1070362928 /nfs/dbraw/zinc/36/29/28/1070362928.db2.gz AFUQSIYAIVUPGI-KRWDZBQOSA-N 1 0 412.498 -0.483 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)C1 ZINC000787254812 1070362823 /nfs/dbraw/zinc/36/28/23/1070362823.db2.gz AFUQSIYAIVUPGI-QGZVFWFLSA-N 1 0 412.498 -0.483 20 0 HBADRO O=C(NCc1ccc(-n2cncn2)nc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000787257047 1070362647 /nfs/dbraw/zinc/36/26/47/1070362647.db2.gz AHBBCWLTLDZCNP-KRWDZBQOSA-N 1 0 413.482 -0.151 20 0 HBADRO O=C(NCc1ccc(-n2cncn2)nc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000787257049 1070362577 /nfs/dbraw/zinc/36/25/77/1070362577.db2.gz AHBBCWLTLDZCNP-QGZVFWFLSA-N 1 0 413.482 -0.151 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000787258292 1070363741 /nfs/dbraw/zinc/36/37/41/1070363741.db2.gz OKESTQWKCVZBND-HNNXBMFYSA-N 1 0 413.482 -0.010 20 0 HBADRO O=C(NCc1ccc(-n2cncn2)nc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000787260918 1070363699 /nfs/dbraw/zinc/36/36/99/1070363699.db2.gz WHUNTLCCTQRXES-UHFFFAOYSA-N 1 0 413.482 -0.151 20 0 HBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C[C@H](C)O1 ZINC000787261817 1070363332 /nfs/dbraw/zinc/36/33/32/1070363332.db2.gz GLZPDHPDNWJOJR-GASCZTMLSA-N 1 0 401.471 -0.106 20 0 HBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C[C@H](C)O1 ZINC000787261819 1070363388 /nfs/dbraw/zinc/36/33/88/1070363388.db2.gz GLZPDHPDNWJOJR-GJZGRUSLSA-N 1 0 401.471 -0.106 20 0 HBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C[C@@H](C)O1 ZINC000787261822 1070363203 /nfs/dbraw/zinc/36/32/03/1070363203.db2.gz GLZPDHPDNWJOJR-HUUCEWRRSA-N 1 0 401.471 -0.106 20 0 HBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000787261865 1070364327 /nfs/dbraw/zinc/36/43/27/1070364327.db2.gz YCMAWHYUCWYBKX-INIZCTEOSA-N 1 0 401.471 -0.152 20 0 HBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000787261868 1070364265 /nfs/dbraw/zinc/36/42/65/1070364265.db2.gz YCMAWHYUCWYBKX-MRXNPFEDSA-N 1 0 401.471 -0.152 20 0 HBADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787282729 1070364005 /nfs/dbraw/zinc/36/40/05/1070364005.db2.gz DKNFFVLFEUMLNY-DLBZAZTESA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787282731 1070364290 /nfs/dbraw/zinc/36/42/90/1070364290.db2.gz DKNFFVLFEUMLNY-IAGOWNOFSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787282734 1070364186 /nfs/dbraw/zinc/36/41/86/1070364186.db2.gz DKNFFVLFEUMLNY-IRXDYDNUSA-N 1 0 403.483 -0.486 20 0 HBADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787282738 1070364394 /nfs/dbraw/zinc/36/43/94/1070364394.db2.gz DKNFFVLFEUMLNY-SJORKVTESA-N 1 0 403.483 -0.486 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000787414203 1070366602 /nfs/dbraw/zinc/36/66/02/1070366602.db2.gz WQOPCTVCDWERGA-UHFFFAOYSA-N 1 0 410.515 -0.199 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000787421362 1070366951 /nfs/dbraw/zinc/36/69/51/1070366951.db2.gz LLQPLIKTUUTUAK-UHFFFAOYSA-N 1 0 408.499 -0.445 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000787422990 1070367243 /nfs/dbraw/zinc/36/72/43/1070367243.db2.gz BJLFKMZVHYUIEV-INIZCTEOSA-N 1 0 408.499 -0.447 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000787422994 1070367149 /nfs/dbraw/zinc/36/71/49/1070367149.db2.gz BJLFKMZVHYUIEV-MRXNPFEDSA-N 1 0 408.499 -0.447 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC000787423908 1070367062 /nfs/dbraw/zinc/36/70/62/1070367062.db2.gz GCOXZIQCBFOKSV-INIZCTEOSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC000787423910 1070367290 /nfs/dbraw/zinc/36/72/90/1070367290.db2.gz GCOXZIQCBFOKSV-MRXNPFEDSA-N 1 0 410.515 -0.153 20 0 HBADRO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000787496612 1070369230 /nfs/dbraw/zinc/36/92/30/1070369230.db2.gz YLXOPEGTWQJSGD-UHFFFAOYSA-N 1 0 408.484 -0.390 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CCS(C)(=O)=O)CC1 ZINC000787497867 1070369175 /nfs/dbraw/zinc/36/91/75/1070369175.db2.gz BAMPTHJPHYJICA-UHFFFAOYSA-N 1 0 424.567 -0.057 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCCS(=O)(=O)CC)CC1 ZINC000787497922 1070369094 /nfs/dbraw/zinc/36/90/94/1070369094.db2.gz CBEYEUJPYCRBBC-UHFFFAOYSA-N 1 0 424.567 -0.009 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC4(C3)OCCO4)cn2)CC1 ZINC000787498518 1070369606 /nfs/dbraw/zinc/36/96/06/1070369606.db2.gz FQPHBZLBEQBEGV-UHFFFAOYSA-N 1 0 403.483 -0.185 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cc2)CC1 ZINC000787499320 1070369450 /nfs/dbraw/zinc/36/94/50/1070369450.db2.gz JNQSNQZRTQDHDJ-UHFFFAOYSA-N 1 0 410.540 -0.399 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCS(=O)(=O)CC)cn2)CC1 ZINC000787499329 1070369063 /nfs/dbraw/zinc/36/90/63/1070369063.db2.gz KAJOYGXAJKWDID-UHFFFAOYSA-N 1 0 411.528 -0.609 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CCS(C)(=O)=O)cc2)CC1 ZINC000787500248 1070369498 /nfs/dbraw/zinc/36/94/98/1070369498.db2.gz LNLBDNUEZCSSSW-UHFFFAOYSA-N 1 0 424.567 -0.057 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCS(C)(=O)=O)cn2)CC1 ZINC000787500262 1070369638 /nfs/dbraw/zinc/36/96/38/1070369638.db2.gz LVVZZRVWPPTEFH-UHFFFAOYSA-N 1 0 411.528 -0.657 20 0 HBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCCS(C)(=O)=O)CC1 ZINC000787503475 1070369851 /nfs/dbraw/zinc/36/98/51/1070369851.db2.gz XUHFBBLAHDWTKI-UHFFFAOYSA-N 1 0 410.540 -0.399 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC(=O)N(C)C[C@@H]3C)cn2)CC1 ZINC000787503557 1070369979 /nfs/dbraw/zinc/36/99/79/1070369979.db2.gz ZCLLEXFSLJPYKW-HNNXBMFYSA-N 1 0 402.499 -0.471 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC(=O)N(C)C[C@H]3C)cn2)CC1 ZINC000787503564 1070370267 /nfs/dbraw/zinc/37/02/67/1070370267.db2.gz ZCLLEXFSLJPYKW-OAHLLOKOSA-N 1 0 402.499 -0.471 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCS(=O)(=O)CC)cc2)CC1 ZINC000787503627 1070369909 /nfs/dbraw/zinc/36/99/09/1070369909.db2.gz ZUFOGEOUMIYJAP-UHFFFAOYSA-N 1 0 424.567 -0.009 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000787588462 1070372749 /nfs/dbraw/zinc/37/27/49/1070372749.db2.gz BBOCZJFDXQXUIK-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000787607260 1070374449 /nfs/dbraw/zinc/37/44/49/1070374449.db2.gz BHKOQXWXJQUUPX-UHFFFAOYSA-N 1 0 403.527 -0.013 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000787610771 1070376156 /nfs/dbraw/zinc/37/61/56/1070376156.db2.gz ROSMWRRYURSDMJ-UHFFFAOYSA-N 1 0 417.554 -0.100 20 0 HBADRO CC1CC[NH+](CCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000787664733 1070379425 /nfs/dbraw/zinc/37/94/25/1070379425.db2.gz SNXNYJUANHOQHN-UHFFFAOYSA-N 1 0 402.561 -0.540 20 0 HBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000787667469 1070379669 /nfs/dbraw/zinc/37/96/69/1070379669.db2.gz CXHOMPRBTCTAPB-HNNXBMFYSA-N 1 0 402.561 -0.540 20 0 HBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000787667470 1070379862 /nfs/dbraw/zinc/37/98/62/1070379862.db2.gz CXHOMPRBTCTAPB-OAHLLOKOSA-N 1 0 402.561 -0.540 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)CC1 ZINC000787675054 1070379212 /nfs/dbraw/zinc/37/92/12/1070379212.db2.gz IVXQZBZSQMQWIG-UHFFFAOYSA-N 1 0 407.475 -0.498 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787734317 1070381360 /nfs/dbraw/zinc/38/13/60/1070381360.db2.gz BRIHNUYLSFWLRL-KRWDZBQOSA-N 1 0 410.540 -0.358 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787734319 1070381244 /nfs/dbraw/zinc/38/12/44/1070381244.db2.gz BRIHNUYLSFWLRL-QGZVFWFLSA-N 1 0 410.540 -0.358 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787735330 1070381566 /nfs/dbraw/zinc/38/15/66/1070381566.db2.gz FRYWUEXNLQBVIC-AEFFLSMTSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787735333 1070381838 /nfs/dbraw/zinc/38/18/38/1070381838.db2.gz FRYWUEXNLQBVIC-FUHWJXTLSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787735335 1070382120 /nfs/dbraw/zinc/38/21/20/1070382120.db2.gz FRYWUEXNLQBVIC-SJLPKXTDSA-N 1 0 401.511 -0.220 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787735338 1070382200 /nfs/dbraw/zinc/38/22/00/1070382200.db2.gz FRYWUEXNLQBVIC-WMZOPIPTSA-N 1 0 401.511 -0.220 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787736278 1070382066 /nfs/dbraw/zinc/38/20/66/1070382066.db2.gz JVBQSLNUKOXTLV-GOSISDBHSA-N 1 0 424.567 -0.016 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787736280 1070382168 /nfs/dbraw/zinc/38/21/68/1070382168.db2.gz JVBQSLNUKOXTLV-SFHVURJKSA-N 1 0 424.567 -0.016 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787738925 1070381992 /nfs/dbraw/zinc/38/19/92/1070381992.db2.gz SFWJOINIDCKLME-KRWDZBQOSA-N 1 0 410.540 -0.406 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000787738927 1070382228 /nfs/dbraw/zinc/38/22/28/1070382228.db2.gz SFWJOINIDCKLME-QGZVFWFLSA-N 1 0 410.540 -0.406 20 0 HBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000787750369 1070380057 /nfs/dbraw/zinc/38/00/57/1070380057.db2.gz GLHBIHCHHFZLRM-HNNXBMFYSA-N 1 0 402.561 -0.398 20 0 HBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000787750370 1070380133 /nfs/dbraw/zinc/38/01/33/1070380133.db2.gz GLHBIHCHHFZLRM-OAHLLOKOSA-N 1 0 402.561 -0.398 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000787849532 1070384698 /nfs/dbraw/zinc/38/46/98/1070384698.db2.gz AXEIZOJFFJTPKZ-UHFFFAOYSA-N 1 0 410.540 -0.134 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787850333 1070384539 /nfs/dbraw/zinc/38/45/39/1070384539.db2.gz FLWGUHCFVQGBOK-CABCVRRESA-N 1 0 410.496 -0.810 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787850341 1070384890 /nfs/dbraw/zinc/38/48/90/1070384890.db2.gz FLWGUHCFVQGBOK-GJZGRUSLSA-N 1 0 410.496 -0.810 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000787850342 1070384734 /nfs/dbraw/zinc/38/47/34/1070384734.db2.gz FLWGUHCFVQGBOK-HUUCEWRRSA-N 1 0 410.496 -0.810 20 0 HBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000787850344 1070384483 /nfs/dbraw/zinc/38/44/83/1070384483.db2.gz FLWGUHCFVQGBOK-LSDHHAIUSA-N 1 0 410.496 -0.810 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000787850373 1070384836 /nfs/dbraw/zinc/38/48/36/1070384836.db2.gz FRLVALJYRCVSBH-UHFFFAOYSA-N 1 0 424.567 -0.187 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000787850508 1070384963 /nfs/dbraw/zinc/38/49/63/1070384963.db2.gz HFQUADRWZXYECO-UHFFFAOYSA-N 1 0 410.540 -0.182 20 0 HBADRO CS(=O)(=O)CCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000787850974 1070385327 /nfs/dbraw/zinc/38/53/27/1070385327.db2.gz IREWHYWLUVYNOC-UHFFFAOYSA-N 1 0 410.540 -0.529 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000787852268 1070385459 /nfs/dbraw/zinc/38/54/59/1070385459.db2.gz QKODXYHPYJLXGC-GOSISDBHSA-N 1 0 415.538 0.000 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000787852269 1070385179 /nfs/dbraw/zinc/38/51/79/1070385179.db2.gz QKODXYHPYJLXGC-SFHVURJKSA-N 1 0 415.538 0.000 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000787855105 1070386494 /nfs/dbraw/zinc/38/64/94/1070386494.db2.gz NNNOUDCYCXIJLA-KRWDZBQOSA-N 1 0 410.540 -0.358 20 0 HBADRO CN1CC[N@H+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000787855106 1070386378 /nfs/dbraw/zinc/38/63/78/1070386378.db2.gz NNNOUDCYCXIJLA-QGZVFWFLSA-N 1 0 410.540 -0.358 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000787859820 1070385886 /nfs/dbraw/zinc/38/58/86/1070385886.db2.gz YFMQTWDNXGALIH-GOSISDBHSA-N 1 0 424.567 -0.016 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000787859822 1070386102 /nfs/dbraw/zinc/38/61/02/1070386102.db2.gz YFMQTWDNXGALIH-SFHVURJKSA-N 1 0 424.567 -0.016 20 0 HBADRO CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787903933 1070386004 /nfs/dbraw/zinc/38/60/04/1070386004.db2.gz OXHFAUISZVZSQX-CYBMUJFWSA-N 1 0 408.421 -0.163 20 0 HBADRO CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787903934 1070385854 /nfs/dbraw/zinc/38/58/54/1070385854.db2.gz OXHFAUISZVZSQX-ZDUSSCGKSA-N 1 0 408.421 -0.163 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)C[C@H]1COCC2 ZINC000787907060 1070386907 /nfs/dbraw/zinc/38/69/07/1070386907.db2.gz BNVDGTGAMQXNRA-OXJNMPFZSA-N 1 0 410.515 -0.832 20 0 HBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000787914162 1070387669 /nfs/dbraw/zinc/38/76/69/1070387669.db2.gz XQQGBAOFWZLEIP-LAUBAEHRSA-N 1 0 424.542 -0.442 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000787995629 1070391115 /nfs/dbraw/zinc/39/11/15/1070391115.db2.gz OROPNZNRNHROPI-QEEYODRMSA-N 1 0 417.466 -0.002 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000787995631 1070390852 /nfs/dbraw/zinc/39/08/52/1070390852.db2.gz OROPNZNRNHROPI-SIFCLUCFSA-N 1 0 417.466 -0.002 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000787995633 1070391207 /nfs/dbraw/zinc/39/12/07/1070391207.db2.gz OROPNZNRNHROPI-STXHMFSFSA-N 1 0 417.466 -0.002 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000787995635 1070391026 /nfs/dbraw/zinc/39/10/26/1070391026.db2.gz OROPNZNRNHROPI-SXGZJXTBSA-N 1 0 417.466 -0.002 20 0 HBADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788010445 1070394897 /nfs/dbraw/zinc/39/48/97/1070394897.db2.gz KZEWJTIGIILZNR-PMACEKPBSA-N 1 0 415.538 -0.096 20 0 HBADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788010448 1070394735 /nfs/dbraw/zinc/39/47/35/1070394735.db2.gz KZEWJTIGIILZNR-UXHICEINSA-N 1 0 415.538 -0.096 20 0 HBADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788010450 1070394497 /nfs/dbraw/zinc/39/44/97/1070394497.db2.gz KZEWJTIGIILZNR-VQTJNVASSA-N 1 0 415.538 -0.096 20 0 HBADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788010453 1070394394 /nfs/dbraw/zinc/39/43/94/1070394394.db2.gz KZEWJTIGIILZNR-WOJBJXKFSA-N 1 0 415.538 -0.096 20 0 HBADRO C[NH+](C)CCOCCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788018899 1070395460 /nfs/dbraw/zinc/39/54/60/1070395460.db2.gz XXBMHEOUKOTSFP-UHFFFAOYSA-N 1 0 401.508 -0.057 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)CC2)c1 ZINC000788038417 1070395318 /nfs/dbraw/zinc/39/53/18/1070395318.db2.gz ADVHVDPTEMZEIB-UHFFFAOYSA-N 1 0 410.540 -0.216 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000788049471 1070396120 /nfs/dbraw/zinc/39/61/20/1070396120.db2.gz HOJHPYMEEVDWEO-UHFFFAOYSA-N 1 0 417.554 -0.054 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000788089446 1070398796 /nfs/dbraw/zinc/39/87/96/1070398796.db2.gz DDYXQZWWMMDIQM-DLBZAZTESA-N 1 0 409.531 -0.927 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089451 1070398883 /nfs/dbraw/zinc/39/88/83/1070398883.db2.gz DDYXQZWWMMDIQM-IAGOWNOFSA-N 1 0 409.531 -0.927 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000788089453 1070399221 /nfs/dbraw/zinc/39/92/21/1070399221.db2.gz DDYXQZWWMMDIQM-IRXDYDNUSA-N 1 0 409.531 -0.927 20 0 HBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089939 1070399073 /nfs/dbraw/zinc/39/90/73/1070399073.db2.gz DDYXQZWWMMDIQM-SJORKVTESA-N 1 0 409.531 -0.927 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000788209725 1070405382 /nfs/dbraw/zinc/40/53/82/1070405382.db2.gz QVGJSRYKHMCRIA-CXAGYDPISA-N 1 0 400.501 -0.933 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000788209727 1070405396 /nfs/dbraw/zinc/40/53/96/1070405396.db2.gz QVGJSRYKHMCRIA-DYVFJYSZSA-N 1 0 400.501 -0.933 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000788209728 1070405372 /nfs/dbraw/zinc/40/53/72/1070405372.db2.gz QVGJSRYKHMCRIA-GUYCJALGSA-N 1 0 400.501 -0.933 20 0 HBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000788209730 1070405413 /nfs/dbraw/zinc/40/54/13/1070405413.db2.gz QVGJSRYKHMCRIA-SUMWQHHRSA-N 1 0 400.501 -0.933 20 0 HBADRO C[N@H+](CCN1CCN(C(=O)C(=O)NCCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000788393189 1070413130 /nfs/dbraw/zinc/41/31/30/1070413130.db2.gz QNVXEJHGRYEBOV-UHFFFAOYSA-N 1 0 410.540 -0.577 20 0 HBADRO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000788394313 1070413895 /nfs/dbraw/zinc/41/38/95/1070413895.db2.gz ZKOPFLHLCMMMCN-CYBMUJFWSA-N 1 0 414.503 -0.085 20 0 HBADRO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000788394318 1070413924 /nfs/dbraw/zinc/41/39/24/1070413924.db2.gz ZKOPFLHLCMMMCN-ZDUSSCGKSA-N 1 0 414.503 -0.085 20 0 HBADRO CN(C(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000788399649 1070414660 /nfs/dbraw/zinc/41/46/60/1070414660.db2.gz DZUHWJKZMNUYAF-DLBZAZTESA-N 1 0 416.588 -0.057 20 0 HBADRO CN(C(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000788399653 1070414624 /nfs/dbraw/zinc/41/46/24/1070414624.db2.gz DZUHWJKZMNUYAF-IAGOWNOFSA-N 1 0 416.588 -0.057 20 0 HBADRO CN(C(=O)C(=O)NCCS(C)(=O)=O)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000788399662 1070414670 /nfs/dbraw/zinc/41/46/70/1070414670.db2.gz DZUHWJKZMNUYAF-IRXDYDNUSA-N 1 0 416.588 -0.057 20 0 HBADRO CN(C(=O)C(=O)NCCS(C)(=O)=O)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000788399670 1070414744 /nfs/dbraw/zinc/41/47/44/1070414744.db2.gz DZUHWJKZMNUYAF-SJORKVTESA-N 1 0 416.588 -0.057 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000788850982 1070422814 /nfs/dbraw/zinc/42/28/14/1070422814.db2.gz ACBRBQPWVWWBFJ-KBPBESRZSA-N 1 0 409.487 -0.014 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000788850983 1070422681 /nfs/dbraw/zinc/42/26/81/1070422681.db2.gz ACBRBQPWVWWBFJ-KGLIPLIRSA-N 1 0 409.487 -0.014 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000788850984 1070422634 /nfs/dbraw/zinc/42/26/34/1070422634.db2.gz ACBRBQPWVWWBFJ-UONOGXRCSA-N 1 0 409.487 -0.014 20 0 HBADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000788850985 1070422832 /nfs/dbraw/zinc/42/28/32/1070422832.db2.gz ACBRBQPWVWWBFJ-ZIAGYGMSSA-N 1 0 409.487 -0.014 20 0 HBADRO CNS(=O)(=O)c1cccc2c1CCN(CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000789490757 1070439667 /nfs/dbraw/zinc/43/96/67/1070439667.db2.gz LANKHXRLGUSREI-UHFFFAOYSA-N 1 0 421.523 -0.074 20 0 HBADRO COc1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)ccc1OCC(=O)N1CCOCC1 ZINC000789561276 1070442544 /nfs/dbraw/zinc/44/25/44/1070442544.db2.gz RONJWSBADOQRRA-AWEZNQCLSA-N 1 0 406.439 -0.347 20 0 HBADRO COc1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)ccc1OCC(=O)N1CCOCC1 ZINC000789561280 1070442661 /nfs/dbraw/zinc/44/26/61/1070442661.db2.gz RONJWSBADOQRRA-CQSZACIVSA-N 1 0 406.439 -0.347 20 0 HBADRO CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000790027189 1070458039 /nfs/dbraw/zinc/45/80/39/1070458039.db2.gz NYVXSSVWEVTPSW-UHFFFAOYSA-N 1 0 415.516 -0.542 20 0 HBADRO COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184755 1070463238 /nfs/dbraw/zinc/46/32/38/1070463238.db2.gz MGUPFVWADYJUGC-CVEARBPZSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184756 1070463217 /nfs/dbraw/zinc/46/32/17/1070463217.db2.gz MGUPFVWADYJUGC-HOTGVXAUSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184757 1070463110 /nfs/dbraw/zinc/46/31/10/1070463110.db2.gz MGUPFVWADYJUGC-HZPDHXFCSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184758 1070463262 /nfs/dbraw/zinc/46/32/62/1070463262.db2.gz MGUPFVWADYJUGC-JKSUJKDBSA-N 1 0 411.547 -0.031 20 0 HBADRO CC(C)COC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184760 1070463248 /nfs/dbraw/zinc/46/32/48/1070463248.db2.gz MMKNIBNSOLJZFG-KRWDZBQOSA-N 1 0 411.547 -0.077 20 0 HBADRO CC(C)COC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000790184761 1070463840 /nfs/dbraw/zinc/46/38/40/1070463840.db2.gz MMKNIBNSOLJZFG-QGZVFWFLSA-N 1 0 411.547 -0.077 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000790186331 1070461380 /nfs/dbraw/zinc/46/13/80/1070461380.db2.gz IVQSZQHOMWDXRZ-HNNXBMFYSA-N 1 0 402.561 -0.540 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000790186336 1070461467 /nfs/dbraw/zinc/46/14/67/1070461467.db2.gz IVQSZQHOMWDXRZ-OAHLLOKOSA-N 1 0 402.561 -0.540 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC1 ZINC000790189549 1070461327 /nfs/dbraw/zinc/46/13/27/1070461327.db2.gz IGMFFSJHZISGEG-HNNXBMFYSA-N 1 0 402.561 -0.588 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC1 ZINC000790189564 1070461504 /nfs/dbraw/zinc/46/15/04/1070461504.db2.gz IGMFFSJHZISGEG-OAHLLOKOSA-N 1 0 402.561 -0.588 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000790192283 1070461408 /nfs/dbraw/zinc/46/14/08/1070461408.db2.gz VULLFJKGDOUAOY-BHIYHBOVSA-N 1 0 420.558 -0.166 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000790192284 1070461442 /nfs/dbraw/zinc/46/14/42/1070461442.db2.gz VULLFJKGDOUAOY-NEWSRXKRSA-N 1 0 420.558 -0.166 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000790192285 1070461137 /nfs/dbraw/zinc/46/11/37/1070461137.db2.gz VULLFJKGDOUAOY-NZSAHSFTSA-N 1 0 420.558 -0.166 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000790192286 1070461269 /nfs/dbraw/zinc/46/12/69/1070461269.db2.gz VULLFJKGDOUAOY-QRQLOZEOSA-N 1 0 420.558 -0.166 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000790193960 1070462419 /nfs/dbraw/zinc/46/24/19/1070462419.db2.gz DSXANYZPHZQGHQ-KBPBESRZSA-N 1 0 421.464 -0.392 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000790193961 1070462301 /nfs/dbraw/zinc/46/23/01/1070462301.db2.gz DSXANYZPHZQGHQ-KGLIPLIRSA-N 1 0 421.464 -0.392 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000790193962 1070462107 /nfs/dbraw/zinc/46/21/07/1070462107.db2.gz DSXANYZPHZQGHQ-UONOGXRCSA-N 1 0 421.464 -0.392 20 0 HBADRO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCN(C)CC1 ZINC000790193963 1070462385 /nfs/dbraw/zinc/46/23/85/1070462385.db2.gz DSXANYZPHZQGHQ-ZIAGYGMSSA-N 1 0 421.464 -0.392 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)C[NH+]1CCN(C)CC1 ZINC000790194011 1070462360 /nfs/dbraw/zinc/46/23/60/1070462360.db2.gz FNRIMUOVVZYHNY-FGTMMUONSA-N 1 0 422.526 -0.070 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)C[NH+]1CCN(C)CC1 ZINC000790194015 1070462066 /nfs/dbraw/zinc/46/20/66/1070462066.db2.gz FNRIMUOVVZYHNY-KURKYZTESA-N 1 0 422.526 -0.070 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1)C[NH+]1CCN(C)CC1 ZINC000790194018 1070462196 /nfs/dbraw/zinc/46/21/96/1070462196.db2.gz FNRIMUOVVZYHNY-KZNAEPCWSA-N 1 0 422.526 -0.070 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)C[NH+]1CCN(C)CC1 ZINC000790194020 1070462131 /nfs/dbraw/zinc/46/21/31/1070462131.db2.gz FNRIMUOVVZYHNY-SQNIBIBYSA-N 1 0 422.526 -0.070 20 0 HBADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000790194899 1070462430 /nfs/dbraw/zinc/46/24/30/1070462430.db2.gz JVABPKTXFXZVEA-BBWFWOEESA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000790194900 1070462408 /nfs/dbraw/zinc/46/24/08/1070462408.db2.gz JVABPKTXFXZVEA-IKGGRYGDSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000790194901 1070462343 /nfs/dbraw/zinc/46/23/43/1070462343.db2.gz JVABPKTXFXZVEA-ULQDDVLXSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000790194902 1070462161 /nfs/dbraw/zinc/46/21/61/1070462161.db2.gz JVABPKTXFXZVEA-ZACQAIPSSA-N 1 0 411.547 -0.031 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C[NH+]1CCN(C)CC1 ZINC000790195830 1070462016 /nfs/dbraw/zinc/46/20/16/1070462016.db2.gz PCBUPMOJVLWCSG-FGTMMUONSA-N 1 0 420.558 -0.308 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)C[NH+]1CCN(C)CC1 ZINC000790195836 1070462372 /nfs/dbraw/zinc/46/23/72/1070462372.db2.gz PCBUPMOJVLWCSG-KURKYZTESA-N 1 0 420.558 -0.308 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C[NH+]1CCN(C)CC1 ZINC000790195837 1070462247 /nfs/dbraw/zinc/46/22/47/1070462247.db2.gz PCBUPMOJVLWCSG-KZNAEPCWSA-N 1 0 420.558 -0.308 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)C[NH+]1CCN(C)CC1 ZINC000790195839 1070462274 /nfs/dbraw/zinc/46/22/74/1070462274.db2.gz PCBUPMOJVLWCSG-SQNIBIBYSA-N 1 0 420.558 -0.308 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000790196585 1070462398 /nfs/dbraw/zinc/46/23/98/1070462398.db2.gz SDABZJOLVUTMNE-KRWDZBQOSA-N 1 0 424.567 -0.283 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000790196587 1070462317 /nfs/dbraw/zinc/46/23/17/1070462317.db2.gz SDABZJOLVUTMNE-QGZVFWFLSA-N 1 0 424.567 -0.283 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000790197619 1070462220 /nfs/dbraw/zinc/46/22/20/1070462220.db2.gz XYGHRAFIUQLACW-HNNXBMFYSA-N 1 0 411.547 -0.031 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000790197622 1070463224 /nfs/dbraw/zinc/46/32/24/1070463224.db2.gz XYGHRAFIUQLACW-OAHLLOKOSA-N 1 0 411.547 -0.031 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C[C@H]1COCC2 ZINC000790198316 1070463191 /nfs/dbraw/zinc/46/31/91/1070463191.db2.gz ZQCGJMBVHQOCPX-GQIGUUNPSA-N 1 0 410.515 -0.976 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C[C@H]1COCC2 ZINC000790198322 1070463255 /nfs/dbraw/zinc/46/32/55/1070463255.db2.gz ZQCGJMBVHQOCPX-TWOQFEAHSA-N 1 0 410.515 -0.976 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000790208020 1070463289 /nfs/dbraw/zinc/46/32/89/1070463289.db2.gz GKEQBUKTSVGCRF-LLGFUMIMSA-N 1 0 424.542 -0.586 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000790208022 1070463071 /nfs/dbraw/zinc/46/30/71/1070463071.db2.gz GKEQBUKTSVGCRF-XGHQBKJUSA-N 1 0 424.542 -0.586 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)CC1 ZINC000790209715 1070463152 /nfs/dbraw/zinc/46/31/52/1070463152.db2.gz QYIDIJBORHKHDH-INIZCTEOSA-N 1 0 404.577 -0.342 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)CC1 ZINC000790209722 1070463232 /nfs/dbraw/zinc/46/32/32/1070463232.db2.gz QYIDIJBORHKHDH-MRXNPFEDSA-N 1 0 404.577 -0.342 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000790210811 1070463130 /nfs/dbraw/zinc/46/31/30/1070463130.db2.gz VXBSDSYXTHVMJY-DLBZAZTESA-N 1 0 412.531 -0.586 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000790210829 1070463181 /nfs/dbraw/zinc/46/31/81/1070463181.db2.gz VXBSDSYXTHVMJY-IAGOWNOFSA-N 1 0 412.531 -0.586 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000790210832 1070463209 /nfs/dbraw/zinc/46/32/09/1070463209.db2.gz VXBSDSYXTHVMJY-IRXDYDNUSA-N 1 0 412.531 -0.586 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000790210836 1070463278 /nfs/dbraw/zinc/46/32/78/1070463278.db2.gz VXBSDSYXTHVMJY-SJORKVTESA-N 1 0 412.531 -0.586 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365402 1070471796 /nfs/dbraw/zinc/47/17/96/1070471796.db2.gz CICXOPGLPIQECF-FQEVSTJZSA-N 1 0 419.482 -0.846 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365405 1070471744 /nfs/dbraw/zinc/47/17/44/1070471744.db2.gz CICXOPGLPIQECF-HXUWFJFHSA-N 1 0 419.482 -0.846 20 0 HBADRO O=C(C(=O)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)N1CCCC1 ZINC000790372158 1070471645 /nfs/dbraw/zinc/47/16/45/1070471645.db2.gz YOBVLJPIPJBEKF-FQEVSTJZSA-N 1 0 405.499 -0.373 20 0 HBADRO O=C(C(=O)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)N1CCCC1 ZINC000790372161 1070471436 /nfs/dbraw/zinc/47/14/36/1070471436.db2.gz YOBVLJPIPJBEKF-HXUWFJFHSA-N 1 0 405.499 -0.373 20 0 HBADRO COCCCS(=O)(=O)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790376487 1070471451 /nfs/dbraw/zinc/47/14/51/1070471451.db2.gz ZFGQQSLZCKMQRO-GOSISDBHSA-N 1 0 416.544 -0.156 20 0 HBADRO COCCCS(=O)(=O)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790376488 1070471583 /nfs/dbraw/zinc/47/15/83/1070471583.db2.gz ZFGQQSLZCKMQRO-SFHVURJKSA-N 1 0 416.544 -0.156 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000790683165 1070478440 /nfs/dbraw/zinc/47/84/40/1070478440.db2.gz NYZSNFNRWGSYNN-JXFKEZNVSA-N 1 0 409.483 -0.385 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000790683167 1070478426 /nfs/dbraw/zinc/47/84/26/1070478426.db2.gz NYZSNFNRWGSYNN-OXJNMPFZSA-N 1 0 409.483 -0.385 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000790683169 1070478311 /nfs/dbraw/zinc/47/83/11/1070478311.db2.gz NYZSNFNRWGSYNN-OXQOHEQNSA-N 1 0 409.483 -0.385 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000790683170 1070478372 /nfs/dbraw/zinc/47/83/72/1070478372.db2.gz NYZSNFNRWGSYNN-UZLBHIALSA-N 1 0 409.483 -0.385 20 0 HBADRO Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000790692360 1070480450 /nfs/dbraw/zinc/48/04/50/1070480450.db2.gz UXYWFJFEXTUWTO-DYESRHJHSA-N 1 0 423.510 -0.076 20 0 HBADRO Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000790692364 1070480363 /nfs/dbraw/zinc/48/03/63/1070480363.db2.gz UXYWFJFEXTUWTO-LAUBAEHRSA-N 1 0 423.510 -0.076 20 0 HBADRO Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000790692366 1070480332 /nfs/dbraw/zinc/48/03/32/1070480332.db2.gz UXYWFJFEXTUWTO-UTKZUKDTSA-N 1 0 423.510 -0.076 20 0 HBADRO Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(=O)c1 ZINC000790692368 1070480173 /nfs/dbraw/zinc/48/01/73/1070480173.db2.gz UXYWFJFEXTUWTO-UWJYYQICSA-N 1 0 423.510 -0.076 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000790783243 1070486936 /nfs/dbraw/zinc/48/69/36/1070486936.db2.gz HQNSTPPZGNIJFF-UHFFFAOYSA-N 1 0 414.503 -0.176 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 ZINC000790785491 1070487825 /nfs/dbraw/zinc/48/78/25/1070487825.db2.gz VEVGAELWXWGDGS-UHFFFAOYSA-N 1 0 414.503 -0.176 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000790786944 1070487561 /nfs/dbraw/zinc/48/75/61/1070487561.db2.gz FXEQBMVTFXXEPR-FQEVSTJZSA-N 1 0 403.483 -0.174 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000790786951 1070487722 /nfs/dbraw/zinc/48/77/22/1070487722.db2.gz FXEQBMVTFXXEPR-HXUWFJFHSA-N 1 0 403.483 -0.174 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000791591869 1070500277 /nfs/dbraw/zinc/50/02/77/1070500277.db2.gz HCYNILIHGHOCLX-UHFFFAOYSA-N 1 0 406.487 -0.607 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000791640375 1070500499 /nfs/dbraw/zinc/50/04/99/1070500499.db2.gz VXSPEJVSBYHMLU-UHFFFAOYSA-N 1 0 420.514 -0.217 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000791689159 1070501755 /nfs/dbraw/zinc/50/17/55/1070501755.db2.gz XBLALLKYHFQQDW-DLBZAZTESA-N 1 0 415.556 -0.019 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000791689160 1070501650 /nfs/dbraw/zinc/50/16/50/1070501650.db2.gz XBLALLKYHFQQDW-IAGOWNOFSA-N 1 0 415.556 -0.019 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000791689161 1070501779 /nfs/dbraw/zinc/50/17/79/1070501779.db2.gz XBLALLKYHFQQDW-IRXDYDNUSA-N 1 0 415.556 -0.019 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000791689162 1070501857 /nfs/dbraw/zinc/50/18/57/1070501857.db2.gz XBLALLKYHFQQDW-SJORKVTESA-N 1 0 415.556 -0.019 20 0 HBADRO Cc1nc(S(=O)(=O)NCC(=O)OCCCN2CC[NH+](C(C)C)CC2)cn1C ZINC000791825785 1070503091 /nfs/dbraw/zinc/50/30/91/1070503091.db2.gz MPRMIASQPUPORA-UHFFFAOYSA-N 1 0 401.533 -0.034 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000791971902 1070504430 /nfs/dbraw/zinc/50/44/30/1070504430.db2.gz UXTDITVBKHZOMJ-UHFFFAOYSA-N 1 0 415.516 -0.649 20 0 HBADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000792201595 1070507589 /nfs/dbraw/zinc/50/75/89/1070507589.db2.gz LYTTZJXOBBBCHB-UHFFFAOYSA-N 1 0 416.500 -0.384 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3(CO)CCOCC3)C2=O)cc1 ZINC000792408275 1070509607 /nfs/dbraw/zinc/50/96/07/1070509607.db2.gz FFLASMZQHJUUBZ-IBGZPJMESA-N 1 0 420.466 -0.033 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3(CO)CCOCC3)C2=O)cc1 ZINC000792408278 1070510417 /nfs/dbraw/zinc/51/04/17/1070510417.db2.gz FFLASMZQHJUUBZ-LJQANCHMSA-N 1 0 420.466 -0.033 20 0 HBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3(CO)CCOCC3)C2=O)c1 ZINC000792409359 1070510497 /nfs/dbraw/zinc/51/04/97/1070510497.db2.gz NKRUVHVRBKOESI-IBGZPJMESA-N 1 0 420.466 -0.033 20 0 HBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C3(CO)CCOCC3)C2=O)c1 ZINC000792409364 1070510264 /nfs/dbraw/zinc/51/02/64/1070510264.db2.gz NKRUVHVRBKOESI-LJQANCHMSA-N 1 0 420.466 -0.033 20 0 HBADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000792545242 1070511712 /nfs/dbraw/zinc/51/17/12/1070511712.db2.gz ADXFBWBTPPYIJE-INIZCTEOSA-N 1 0 406.464 -0.178 20 0 HBADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000792545244 1070511577 /nfs/dbraw/zinc/51/15/77/1070511577.db2.gz ADXFBWBTPPYIJE-MRXNPFEDSA-N 1 0 406.464 -0.178 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000792638679 1070514441 /nfs/dbraw/zinc/51/44/41/1070514441.db2.gz QJTQCLFEDSIWJO-AWEZNQCLSA-N 1 0 407.471 -0.276 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000792638680 1070514533 /nfs/dbraw/zinc/51/45/33/1070514533.db2.gz QJTQCLFEDSIWJO-CQSZACIVSA-N 1 0 407.471 -0.276 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(S(N)(=O)=O)cn2C)C1 ZINC000792707606 1070517544 /nfs/dbraw/zinc/51/75/44/1070517544.db2.gz YWXMTBMAOWADJA-CYBMUJFWSA-N 1 0 416.500 -0.698 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(S(N)(=O)=O)cn2C)C1 ZINC000792707608 1070517684 /nfs/dbraw/zinc/51/76/84/1070517684.db2.gz YWXMTBMAOWADJA-ZDUSSCGKSA-N 1 0 416.500 -0.698 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000792878675 1070519717 /nfs/dbraw/zinc/51/97/17/1070519717.db2.gz BDNQPOHDZZEAOG-UHFFFAOYSA-N 1 0 413.500 -0.416 20 0 HBADRO COC(=O)[C@]12CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@H]1COCC2 ZINC000793023892 1070521579 /nfs/dbraw/zinc/52/15/79/1070521579.db2.gz HXPNRFREZJZHOQ-ABSDTBQOSA-N 1 0 410.515 -0.386 20 0 HBADRO COC(=O)[C@]12CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@H]1COCC2 ZINC000793023897 1070521269 /nfs/dbraw/zinc/52/12/69/1070521269.db2.gz HXPNRFREZJZHOQ-SQGPQFPESA-N 1 0 410.515 -0.386 20 0 HBADRO COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)nn1 ZINC000793106847 1070522654 /nfs/dbraw/zinc/52/26/54/1070522654.db2.gz UTMKDSDANDNNOO-UHFFFAOYSA-N 1 0 415.454 -0.429 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCc2cnccn2)CC1 ZINC000793488453 1070525133 /nfs/dbraw/zinc/52/51/33/1070525133.db2.gz RJSDFCILSLBVJJ-UHFFFAOYSA-N 1 0 404.515 -0.122 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCCCC1 ZINC000793697087 1070531331 /nfs/dbraw/zinc/53/13/31/1070531331.db2.gz GOQWTIZIYIJWOZ-HNNXBMFYSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCCCC1 ZINC000793697090 1070531382 /nfs/dbraw/zinc/53/13/82/1070531382.db2.gz GOQWTIZIYIJWOZ-OAHLLOKOSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793701883 1070531286 /nfs/dbraw/zinc/53/12/86/1070531286.db2.gz PTQVDLMQHTZRHG-KRWDZBQOSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793701885 1070531516 /nfs/dbraw/zinc/53/15/16/1070531516.db2.gz PTQVDLMQHTZRHG-QGZVFWFLSA-N 1 0 407.559 -0.010 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000793710199 1070529198 /nfs/dbraw/zinc/52/91/98/1070529198.db2.gz RGSTUICUPSXABJ-HNNXBMFYSA-N 1 0 402.561 -0.398 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000793710200 1070529328 /nfs/dbraw/zinc/52/93/28/1070529328.db2.gz RGSTUICUPSXABJ-OAHLLOKOSA-N 1 0 402.561 -0.398 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)n1 ZINC000793717723 1070530440 /nfs/dbraw/zinc/53/04/40/1070530440.db2.gz GYZWRDOIRBJSLD-HNNXBMFYSA-N 1 0 408.503 -0.149 20 0 HBADRO COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)n1 ZINC000793717724 1070530336 /nfs/dbraw/zinc/53/03/36/1070530336.db2.gz GYZWRDOIRBJSLD-OAHLLOKOSA-N 1 0 408.503 -0.149 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCCCC1 ZINC000793718860 1070530261 /nfs/dbraw/zinc/53/02/61/1070530261.db2.gz OFQCCPDZRLZFIW-AWEZNQCLSA-N 1 0 406.574 -0.528 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCCCC1 ZINC000793718884 1070530298 /nfs/dbraw/zinc/53/02/98/1070530298.db2.gz OFQCCPDZRLZFIW-CQSZACIVSA-N 1 0 406.574 -0.528 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCCCC1 ZINC000793721011 1070530787 /nfs/dbraw/zinc/53/07/87/1070530787.db2.gz RYIUZCROMMPVMT-HNNXBMFYSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCCCC1 ZINC000793721014 1070530983 /nfs/dbraw/zinc/53/09/83/1070530983.db2.gz RYIUZCROMMPVMT-OAHLLOKOSA-N 1 0 402.499 -0.180 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCCCC1 ZINC000793727617 1070531357 /nfs/dbraw/zinc/53/13/57/1070531357.db2.gz UNKGCEFIZIEFBW-CYBMUJFWSA-N 1 0 401.489 -0.799 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCCCC1 ZINC000793727676 1070531623 /nfs/dbraw/zinc/53/16/23/1070531623.db2.gz UNKGCEFIZIEFBW-ZDUSSCGKSA-N 1 0 401.489 -0.799 20 0 HBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000793739415 1070533253 /nfs/dbraw/zinc/53/32/53/1070533253.db2.gz BFOLEMPWYSVHLM-UHFFFAOYSA-N 1 0 417.576 -0.941 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000793817735 1070536173 /nfs/dbraw/zinc/53/61/73/1070536173.db2.gz SQQLGCFOLOUCJS-CYBMUJFWSA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000793817737 1070536270 /nfs/dbraw/zinc/53/62/70/1070536270.db2.gz SQQLGCFOLOUCJS-ZDUSSCGKSA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000793818192 1070536397 /nfs/dbraw/zinc/53/63/97/1070536397.db2.gz VPSJHMVREBQURH-UHFFFAOYSA-N 1 0 411.524 -0.055 20 0 HBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793824203 1070536111 /nfs/dbraw/zinc/53/61/11/1070536111.db2.gz AZQYDZHHUHAHNR-AWEZNQCLSA-N 1 0 413.519 -0.362 20 0 HBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793824230 1070536317 /nfs/dbraw/zinc/53/63/17/1070536317.db2.gz AZQYDZHHUHAHNR-CQSZACIVSA-N 1 0 413.519 -0.362 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000793826776 1070537891 /nfs/dbraw/zinc/53/78/91/1070537891.db2.gz GOZSPUQTECRRNJ-UHFFFAOYSA-N 1 0 411.503 -0.608 20 0 HBADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793826794 1070538101 /nfs/dbraw/zinc/53/81/01/1070538101.db2.gz GWSHEAAJIQOINC-UHFFFAOYSA-N 1 0 413.519 -0.408 20 0 HBADRO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000793830163 1070539553 /nfs/dbraw/zinc/53/95/53/1070539553.db2.gz ZALJCDHHUNRKFG-AWEZNQCLSA-N 1 0 423.514 -0.465 20 0 HBADRO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000793830164 1070539501 /nfs/dbraw/zinc/53/95/01/1070539501.db2.gz ZALJCDHHUNRKFG-CQSZACIVSA-N 1 0 423.514 -0.465 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000793836970 1070535525 /nfs/dbraw/zinc/53/55/25/1070535525.db2.gz AOAYYBPHDFVDOT-UHFFFAOYSA-N 1 0 424.567 -0.140 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793838731 1070536030 /nfs/dbraw/zinc/53/60/30/1070536030.db2.gz VPKGAOHMHWISHJ-AWEZNQCLSA-N 1 0 411.503 -0.608 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793838734 1070536417 /nfs/dbraw/zinc/53/64/17/1070536417.db2.gz VPKGAOHMHWISHJ-CQSZACIVSA-N 1 0 411.503 -0.608 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000793867850 1070540952 /nfs/dbraw/zinc/54/09/52/1070540952.db2.gz SZCPNTSEWIKXMC-FCEWJHQRSA-N 1 0 412.556 -0.710 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000793867857 1070540833 /nfs/dbraw/zinc/54/08/33/1070540833.db2.gz SZCPNTSEWIKXMC-FRQCXROJSA-N 1 0 412.556 -0.710 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000793867858 1070540584 /nfs/dbraw/zinc/54/05/84/1070540584.db2.gz SZCPNTSEWIKXMC-GPMSIDNRSA-N 1 0 412.556 -0.710 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000793867859 1070540781 /nfs/dbraw/zinc/54/07/81/1070540781.db2.gz SZCPNTSEWIKXMC-MDZRGWNJSA-N 1 0 412.556 -0.710 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793902902 1070541890 /nfs/dbraw/zinc/54/18/90/1070541890.db2.gz SXZVIWOZRQZSHB-CVEARBPZSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793902903 1070542290 /nfs/dbraw/zinc/54/22/90/1070542290.db2.gz SXZVIWOZRQZSHB-HOTGVXAUSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793902904 1070542235 /nfs/dbraw/zinc/54/22/35/1070542235.db2.gz SXZVIWOZRQZSHB-HZPDHXFCSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793902905 1070541985 /nfs/dbraw/zinc/54/19/85/1070541985.db2.gz SXZVIWOZRQZSHB-JKSUJKDBSA-N 1 0 416.588 -0.152 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000793935432 1070543971 /nfs/dbraw/zinc/54/39/71/1070543971.db2.gz CYTSRZRDRSYFIY-BPUTZDHNSA-N 1 0 424.523 -0.249 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000793935434 1070544106 /nfs/dbraw/zinc/54/41/06/1070544106.db2.gz CYTSRZRDRSYFIY-CWRNSKLLSA-N 1 0 424.523 -0.249 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000793935435 1070543876 /nfs/dbraw/zinc/54/38/76/1070543876.db2.gz CYTSRZRDRSYFIY-IMJJTQAJSA-N 1 0 424.523 -0.249 20 0 HBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000793935436 1070543747 /nfs/dbraw/zinc/54/37/47/1070543747.db2.gz CYTSRZRDRSYFIY-NUEKZKHPSA-N 1 0 424.523 -0.249 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CC1 ZINC000793935796 1070545143 /nfs/dbraw/zinc/54/51/43/1070545143.db2.gz HGQDZHLMEDCHAF-UHFFFAOYSA-N 1 0 419.507 -0.510 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000793937649 1070545008 /nfs/dbraw/zinc/54/50/08/1070545008.db2.gz PULBHTFXEZOTDK-UHFFFAOYSA-N 1 0 400.423 -0.373 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000793939496 1070545253 /nfs/dbraw/zinc/54/52/53/1070545253.db2.gz WKENCPWBWIAMKE-UHFFFAOYSA-N 1 0 414.450 -0.125 20 0 HBADRO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794784726 1071866169 /nfs/dbraw/zinc/86/61/69/1071866169.db2.gz HFIMQDXLTYQTKW-CYBMUJFWSA-N 1 0 415.516 -0.372 20 0 HBADRO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794784745 1071866069 /nfs/dbraw/zinc/86/60/69/1071866069.db2.gz HFIMQDXLTYQTKW-ZDUSSCGKSA-N 1 0 415.516 -0.372 20 0 HBADRO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)[C@H](CO)NC(N)=O)CC2)CC1 ZINC000794987072 1071872442 /nfs/dbraw/zinc/87/24/42/1071872442.db2.gz QBTRXVFFRYWEMV-NRXISQOPSA-N 1 0 413.519 -0.004 20 0 HBADRO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)[C@@H](CO)NC(N)=O)CC2)CC1 ZINC000794987075 1071872524 /nfs/dbraw/zinc/87/25/24/1071872524.db2.gz QBTRXVFFRYWEMV-YMAMQOFZSA-N 1 0 413.519 -0.004 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000795090249 1071875870 /nfs/dbraw/zinc/87/58/70/1071875870.db2.gz XUQMVJRAKWOQGU-UHFFFAOYSA-N 1 0 423.561 -0.998 20 0 HBADRO Nc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000800231246 1069521478 /nfs/dbraw/zinc/52/14/78/1069521478.db2.gz ANKVORXLSDBQLF-UHFFFAOYSA-N 1 0 410.496 -0.167 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000804083533 1069510581 /nfs/dbraw/zinc/51/05/81/1069510581.db2.gz AZXFAPWGTGHZKX-UHFFFAOYSA-N 1 0 403.405 -0.158 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000804083715 1069509560 /nfs/dbraw/zinc/50/95/60/1069509560.db2.gz DQAPOECGSAKYCA-UHFFFAOYSA-N 1 0 407.471 -0.755 20 0 HBADRO CC1(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)OCCO1 ZINC000804084118 1069511185 /nfs/dbraw/zinc/51/11/85/1069511185.db2.gz MTYLBMTVITZYJI-UHFFFAOYSA-N 1 0 405.499 -0.021 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084237 1069511166 /nfs/dbraw/zinc/51/11/66/1069511166.db2.gz QCTYVOCCHJKXIM-UHFFFAOYSA-N 1 0 411.528 -0.787 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804084343 1069511240 /nfs/dbraw/zinc/51/12/40/1069511240.db2.gz SRNFVRPYAARQRU-UHFFFAOYSA-N 1 0 418.438 -0.889 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804259173 1069974229 /nfs/dbraw/zinc/97/42/29/1069974229.db2.gz AULWGFHKHAQUNX-HNNXBMFYSA-N 1 0 416.544 -0.919 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804259174 1069974144 /nfs/dbraw/zinc/97/41/44/1069974144.db2.gz AULWGFHKHAQUNX-OAHLLOKOSA-N 1 0 416.544 -0.919 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000804260149 1069988338 /nfs/dbraw/zinc/98/83/38/1069988338.db2.gz CPSRAKLSVPFPGV-ASHKIFAZSA-N 1 0 402.561 -0.291 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000804260152 1069987495 /nfs/dbraw/zinc/98/74/95/1069987495.db2.gz CPSRAKLSVPFPGV-LOKFHWFJSA-N 1 0 402.561 -0.291 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000804260154 1069987311 /nfs/dbraw/zinc/98/73/11/1069987311.db2.gz CPSRAKLSVPFPGV-PGGUUEOZSA-N 1 0 402.561 -0.291 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000804260156 1069988125 /nfs/dbraw/zinc/98/81/25/1069988125.db2.gz CPSRAKLSVPFPGV-PWFNWSNSSA-N 1 0 402.561 -0.291 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC000804260163 1069988152 /nfs/dbraw/zinc/98/81/52/1069988152.db2.gz CRUABNDQEGWNRO-INIZCTEOSA-N 1 0 410.515 -0.343 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC000804260164 1069988082 /nfs/dbraw/zinc/98/80/82/1069988082.db2.gz CRUABNDQEGWNRO-MRXNPFEDSA-N 1 0 410.515 -0.343 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000804260803 1070005198 /nfs/dbraw/zinc/00/51/98/1070005198.db2.gz KQCJQNVYWHUHPY-CVEARBPZSA-N 1 0 410.515 -0.201 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000804260804 1070005571 /nfs/dbraw/zinc/00/55/71/1070005571.db2.gz KQCJQNVYWHUHPY-HOTGVXAUSA-N 1 0 410.515 -0.201 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000804260805 1070005863 /nfs/dbraw/zinc/00/58/63/1070005863.db2.gz KQCJQNVYWHUHPY-HZPDHXFCSA-N 1 0 410.515 -0.201 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000804260806 1070005918 /nfs/dbraw/zinc/00/59/18/1070005918.db2.gz KQCJQNVYWHUHPY-JKSUJKDBSA-N 1 0 410.515 -0.201 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000804260873 1070006422 /nfs/dbraw/zinc/00/64/22/1070006422.db2.gz OJWWUISBMNTKTH-CVEARBPZSA-N 1 0 410.515 -0.343 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000804260874 1070006346 /nfs/dbraw/zinc/00/63/46/1070006346.db2.gz OJWWUISBMNTKTH-HOTGVXAUSA-N 1 0 410.515 -0.343 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000804260875 1070006678 /nfs/dbraw/zinc/00/66/78/1070006678.db2.gz OJWWUISBMNTKTH-HZPDHXFCSA-N 1 0 410.515 -0.343 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000804260876 1070006571 /nfs/dbraw/zinc/00/65/71/1070006571.db2.gz OJWWUISBMNTKTH-JKSUJKDBSA-N 1 0 410.515 -0.343 20 0 HBADRO CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000804260879 1070006464 /nfs/dbraw/zinc/00/64/64/1070006464.db2.gz ONKGKWMXOSLXAJ-HNNXBMFYSA-N 1 0 418.560 -0.673 20 0 HBADRO CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000804260880 1070006253 /nfs/dbraw/zinc/00/62/53/1070006253.db2.gz ONKGKWMXOSLXAJ-OAHLLOKOSA-N 1 0 418.560 -0.673 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC1(C)OCCO1 ZINC000804261224 1070002918 /nfs/dbraw/zinc/00/29/18/1070002918.db2.gz URKWFHGZLLMJRQ-CVEARBPZSA-N 1 0 412.531 -0.049 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC1(C)OCCO1 ZINC000804261226 1070003801 /nfs/dbraw/zinc/00/38/01/1070003801.db2.gz URKWFHGZLLMJRQ-HOTGVXAUSA-N 1 0 412.531 -0.049 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC1(C)OCCO1 ZINC000804261227 1070003527 /nfs/dbraw/zinc/00/35/27/1070003527.db2.gz URKWFHGZLLMJRQ-HZPDHXFCSA-N 1 0 412.531 -0.049 20 0 HBADRO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC1(C)OCCO1 ZINC000804261229 1070003723 /nfs/dbraw/zinc/00/37/23/1070003723.db2.gz URKWFHGZLLMJRQ-JKSUJKDBSA-N 1 0 412.531 -0.049 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)Cc1nnc2ccccn21 ZINC000804261250 1069998275 /nfs/dbraw/zinc/99/82/75/1069998275.db2.gz VHSQFNMSWPFOFU-HNNXBMFYSA-N 1 0 415.498 -0.253 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)Cc1nnc2ccccn21 ZINC000804261251 1069998083 /nfs/dbraw/zinc/99/80/83/1069998083.db2.gz VHSQFNMSWPFOFU-OAHLLOKOSA-N 1 0 415.498 -0.253 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000804261643 1070013611 /nfs/dbraw/zinc/01/36/11/1070013611.db2.gz SALGUVROQDIFSN-HNNXBMFYSA-N 1 0 411.503 -0.654 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000804261644 1070012430 /nfs/dbraw/zinc/01/24/30/1070012430.db2.gz SALGUVROQDIFSN-OAHLLOKOSA-N 1 0 411.503 -0.654 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000804262041 1070011128 /nfs/dbraw/zinc/01/11/28/1070011128.db2.gz XBZYVIRKFXKURJ-CVEARBPZSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000804262045 1070010966 /nfs/dbraw/zinc/01/09/66/1070010966.db2.gz XBZYVIRKFXKURJ-HOTGVXAUSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000804262047 1070011822 /nfs/dbraw/zinc/01/18/22/1070011822.db2.gz XBZYVIRKFXKURJ-HZPDHXFCSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000804262050 1070011719 /nfs/dbraw/zinc/01/17/19/1070011719.db2.gz XBZYVIRKFXKURJ-JKSUJKDBSA-N 1 0 410.515 -0.153 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)c1 ZINC000804295448 1070122189 /nfs/dbraw/zinc/12/21/89/1070122189.db2.gz RJYGUSYCWATSGE-INIZCTEOSA-N 1 0 420.510 -0.051 20 0 HBADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)c1 ZINC000804295449 1070122079 /nfs/dbraw/zinc/12/20/79/1070122079.db2.gz RJYGUSYCWATSGE-MRXNPFEDSA-N 1 0 420.510 -0.051 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804351589 1070177151 /nfs/dbraw/zinc/17/71/51/1070177151.db2.gz DPDPWRQIIVRJBK-CHWSQXEVSA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804351590 1070177136 /nfs/dbraw/zinc/17/71/36/1070177136.db2.gz DPDPWRQIIVRJBK-OLZOCXBDSA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804351591 1070177058 /nfs/dbraw/zinc/17/70/58/1070177058.db2.gz DPDPWRQIIVRJBK-QWHCGFSZSA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804351592 1070176991 /nfs/dbraw/zinc/17/69/91/1070176991.db2.gz DPDPWRQIIVRJBK-STQMWFEESA-N 1 0 408.421 -0.165 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000804351858 1070175925 /nfs/dbraw/zinc/17/59/25/1070175925.db2.gz DSUJNHXITKFTKJ-DLBZAZTESA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000804351859 1070176104 /nfs/dbraw/zinc/17/61/04/1070176104.db2.gz DSUJNHXITKFTKJ-IAGOWNOFSA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000804351861 1070176078 /nfs/dbraw/zinc/17/60/78/1070176078.db2.gz DSUJNHXITKFTKJ-IRXDYDNUSA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000804351862 1070175970 /nfs/dbraw/zinc/17/59/70/1070175970.db2.gz DSUJNHXITKFTKJ-SJORKVTESA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000804352492 1070176870 /nfs/dbraw/zinc/17/68/70/1070176870.db2.gz UMMGCJXEQPHTFW-BBWFWOEESA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000804352493 1070177072 /nfs/dbraw/zinc/17/70/72/1070177072.db2.gz UMMGCJXEQPHTFW-BRWVUGGUSA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000804352494 1070177089 /nfs/dbraw/zinc/17/70/89/1070177089.db2.gz UMMGCJXEQPHTFW-GVDBMIGSSA-N 1 0 407.515 -0.081 20 0 HBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000804352495 1070176846 /nfs/dbraw/zinc/17/68/46/1070176846.db2.gz UMMGCJXEQPHTFW-ZACQAIPSSA-N 1 0 407.515 -0.081 20 0 HBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000804353068 1070177170 /nfs/dbraw/zinc/17/71/70/1070177170.db2.gz FRJCZJJDXDJSCK-MGPUTAFESA-N 1 0 411.499 -0.358 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(S(N)(=O)=O)c1 ZINC000804396619 1070549669 /nfs/dbraw/zinc/54/96/69/1070549669.db2.gz KYZQJZMQTVPJHW-CHWSQXEVSA-N 1 0 418.541 -0.141 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(S(N)(=O)=O)c1 ZINC000804396621 1070550394 /nfs/dbraw/zinc/55/03/94/1070550394.db2.gz KYZQJZMQTVPJHW-OLZOCXBDSA-N 1 0 418.541 -0.141 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(S(N)(=O)=O)c1 ZINC000804396624 1070550107 /nfs/dbraw/zinc/55/01/07/1070550107.db2.gz KYZQJZMQTVPJHW-QWHCGFSZSA-N 1 0 418.541 -0.141 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(S(N)(=O)=O)c1 ZINC000804396625 1070550319 /nfs/dbraw/zinc/55/03/19/1070550319.db2.gz KYZQJZMQTVPJHW-STQMWFEESA-N 1 0 418.541 -0.141 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000804423392 1070550349 /nfs/dbraw/zinc/55/03/49/1070550349.db2.gz NNYKAVWFNKXOPC-INIZCTEOSA-N 1 0 402.561 -0.398 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000804423393 1070550191 /nfs/dbraw/zinc/55/01/91/1070550191.db2.gz NNYKAVWFNKXOPC-MRXNPFEDSA-N 1 0 402.561 -0.398 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000804518331 1070553021 /nfs/dbraw/zinc/55/30/21/1070553021.db2.gz WMAMLAUUQRHOKR-HNNXBMFYSA-N 1 0 402.495 -0.051 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000804518332 1070553118 /nfs/dbraw/zinc/55/31/18/1070553118.db2.gz WMAMLAUUQRHOKR-OAHLLOKOSA-N 1 0 402.495 -0.051 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000804546063 1070553560 /nfs/dbraw/zinc/55/35/60/1070553560.db2.gz HFMBEZUGVALQGZ-XYPWUTKMSA-N 1 0 400.545 -0.693 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000804547763 1070554404 /nfs/dbraw/zinc/55/44/04/1070554404.db2.gz MOCFQMADHFNMFC-UHFFFAOYSA-N 1 0 402.561 -0.446 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000804547876 1070554298 /nfs/dbraw/zinc/55/42/98/1070554298.db2.gz OLEHJGIWQBYVAT-UHFFFAOYSA-N 1 0 402.561 -0.396 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000804548090 1070554338 /nfs/dbraw/zinc/55/43/38/1070554338.db2.gz FHYNOSKJUPGWKA-UHFFFAOYSA-N 1 0 418.560 -0.720 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000804548928 1070554750 /nfs/dbraw/zinc/55/47/50/1070554750.db2.gz RRLGNCVUPZZMLP-UHFFFAOYSA-N 1 0 403.545 -0.112 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000804550708 1070556127 /nfs/dbraw/zinc/55/61/27/1070556127.db2.gz JVPWHCNTPXWUNT-HOTGVXAUSA-N 1 0 402.561 -0.446 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000804550709 1070555974 /nfs/dbraw/zinc/55/59/74/1070555974.db2.gz JVPWHCNTPXWUNT-HZPDHXFCSA-N 1 0 402.561 -0.446 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000804550710 1070556008 /nfs/dbraw/zinc/55/60/08/1070556008.db2.gz JVPWHCNTPXWUNT-IYBDPMFKSA-N 1 0 402.561 -0.446 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000804550726 1070555896 /nfs/dbraw/zinc/55/58/96/1070555896.db2.gz KOQYTLTWCLMDTI-KRWDZBQOSA-N 1 0 411.524 -0.055 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000804550727 1070556091 /nfs/dbraw/zinc/55/60/91/1070556091.db2.gz KOQYTLTWCLMDTI-QGZVFWFLSA-N 1 0 411.524 -0.055 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000804550980 1070555390 /nfs/dbraw/zinc/55/53/90/1070555390.db2.gz REBBGUOVNNJLAX-UHFFFAOYSA-N 1 0 424.567 -0.187 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000804551180 1070555317 /nfs/dbraw/zinc/55/53/17/1070555317.db2.gz UWRDCDMOEUFXLR-UHFFFAOYSA-N 1 0 403.545 -0.064 20 0 HBADRO CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000804552417 1070555943 /nfs/dbraw/zinc/55/59/43/1070555943.db2.gz NHQDXMLZXLNZRU-UHFFFAOYSA-N 1 0 402.561 -0.587 20 0 HBADRO C[S@@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000804596347 1070560856 /nfs/dbraw/zinc/56/08/56/1070560856.db2.gz IHJMNDOUGQCGFX-DEXQXJORSA-N 1 0 408.524 -0.505 20 0 HBADRO C[S@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000804596348 1070560476 /nfs/dbraw/zinc/56/04/76/1070560476.db2.gz IHJMNDOUGQCGFX-HJWYETAXSA-N 1 0 408.524 -0.505 20 0 HBADRO C[S@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000804596349 1070560660 /nfs/dbraw/zinc/56/06/60/1070560660.db2.gz IHJMNDOUGQCGFX-OLRZCDJHSA-N 1 0 408.524 -0.505 20 0 HBADRO C[S@@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000804596350 1070560690 /nfs/dbraw/zinc/56/06/90/1070560690.db2.gz IHJMNDOUGQCGFX-WVDZOPJMSA-N 1 0 408.524 -0.505 20 0 HBADRO CC[S@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000804596377 1070560392 /nfs/dbraw/zinc/56/03/92/1070560392.db2.gz JBDDCZJBNOOBIP-ADKRDUOOSA-N 1 0 422.551 -0.115 20 0 HBADRO CC[S@@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000804596378 1070560832 /nfs/dbraw/zinc/56/08/32/1070560832.db2.gz JBDDCZJBNOOBIP-CQGGRAHPSA-N 1 0 422.551 -0.115 20 0 HBADRO CC[S@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000804596379 1070560606 /nfs/dbraw/zinc/56/06/06/1070560606.db2.gz JBDDCZJBNOOBIP-JWRCQZCYSA-N 1 0 422.551 -0.115 20 0 HBADRO CC[S@@](=O)CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000804596380 1070560424 /nfs/dbraw/zinc/56/04/24/1070560424.db2.gz JBDDCZJBNOOBIP-SFNQZPIRSA-N 1 0 422.551 -0.115 20 0 HBADRO C[NH+]1CCC2(CCCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2)CC1 ZINC000804684156 1070566338 /nfs/dbraw/zinc/56/63/38/1070566338.db2.gz VGESWJSLJTWTMB-NVQRDWNXSA-N 1 0 418.498 -0.250 20 0 HBADRO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000804717159 1070566811 /nfs/dbraw/zinc/56/68/11/1070566811.db2.gz HOLOWJDKGGHVTL-AWEZNQCLSA-N 1 0 417.528 -0.635 20 0 HBADRO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000804717160 1070566631 /nfs/dbraw/zinc/56/66/31/1070566631.db2.gz HOLOWJDKGGHVTL-CQSZACIVSA-N 1 0 417.528 -0.635 20 0 HBADRO CC1(CCNC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)OCCO1 ZINC000804725464 1070567879 /nfs/dbraw/zinc/56/78/79/1070567879.db2.gz CUWIZFPCLGIROT-UHFFFAOYSA-N 1 0 420.514 -0.236 20 0 HBADRO CC1(C)OCC(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000804725959 1070570081 /nfs/dbraw/zinc/57/00/81/1070570081.db2.gz FXHGGDOLOMHESZ-UHFFFAOYSA-N 1 0 420.514 -0.237 20 0 HBADRO Cn1nccc1CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000804726006 1070570155 /nfs/dbraw/zinc/57/01/55/1070570155.db2.gz GUKYTHCUHIUVFN-UHFFFAOYSA-N 1 0 414.514 -0.413 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC2(C1)OCCO2 ZINC000804726929 1070570106 /nfs/dbraw/zinc/57/01/06/1070570106.db2.gz SVLAVTFYRWPZPH-UHFFFAOYSA-N 1 0 418.498 -0.530 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000804726943 1070570026 /nfs/dbraw/zinc/57/00/26/1070570026.db2.gz TZIMMEQCBVDNEC-INIZCTEOSA-N 1 0 417.514 -0.816 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000804726944 1070569908 /nfs/dbraw/zinc/56/99/08/1070569908.db2.gz TZIMMEQCBVDNEC-MRXNPFEDSA-N 1 0 417.514 -0.816 20 0 HBADRO Cc1nonc1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000804727068 1070570178 /nfs/dbraw/zinc/57/01/78/1070570178.db2.gz WLXMSKKQSLUNEU-UHFFFAOYSA-N 1 0 402.459 -0.497 20 0 HBADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000804737584 1070570665 /nfs/dbraw/zinc/57/06/65/1070570665.db2.gz LTSXXSBEOGRYRR-INIZCTEOSA-N 1 0 411.499 -0.214 20 0 HBADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000804737585 1070570793 /nfs/dbraw/zinc/57/07/93/1070570793.db2.gz LTSXXSBEOGRYRR-MRXNPFEDSA-N 1 0 411.499 -0.214 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000804738772 1070570533 /nfs/dbraw/zinc/57/05/33/1070570533.db2.gz DATTWQYBMCRYNF-UHFFFAOYSA-N 1 0 401.529 -0.217 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]1COCC2 ZINC000804739465 1070567917 /nfs/dbraw/zinc/56/79/17/1070567917.db2.gz ZLDIQFANZZVPMF-HRAATJIYSA-N 1 0 423.510 -0.214 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804747482 1070568045 /nfs/dbraw/zinc/56/80/45/1070568045.db2.gz DUKGXKDPXRDLHI-HNNXBMFYSA-N 1 0 423.514 -0.513 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804747483 1070567818 /nfs/dbraw/zinc/56/78/18/1070567818.db2.gz DUKGXKDPXRDLHI-OAHLLOKOSA-N 1 0 423.514 -0.513 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000804749292 1070569046 /nfs/dbraw/zinc/56/90/46/1070569046.db2.gz LOCVLQRSJIGHAG-INIZCTEOSA-N 1 0 409.531 -0.040 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000804749293 1070569117 /nfs/dbraw/zinc/56/91/17/1070569117.db2.gz LOCVLQRSJIGHAG-MRXNPFEDSA-N 1 0 409.531 -0.040 20 0 HBADRO CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000804752364 1070569056 /nfs/dbraw/zinc/56/90/56/1070569056.db2.gz RKJXEQMAHYVLDW-UHFFFAOYSA-N 1 0 423.514 -0.512 20 0 HBADRO C[N@H+](CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C1CCCC1 ZINC000804820142 1070573200 /nfs/dbraw/zinc/57/32/00/1070573200.db2.gz CUOHOBZGBNVVPW-UHFFFAOYSA-N 1 0 402.561 -0.398 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC000804897019 1070576608 /nfs/dbraw/zinc/57/66/08/1070576608.db2.gz DCIDTDFWJHJDBB-CYBMUJFWSA-N 1 0 408.421 -0.260 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC000804897020 1070576984 /nfs/dbraw/zinc/57/69/84/1070576984.db2.gz DCIDTDFWJHJDBB-ZDUSSCGKSA-N 1 0 408.421 -0.260 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1 ZINC000804897233 1070577061 /nfs/dbraw/zinc/57/70/61/1070577061.db2.gz IQLJHWOUDDAXBD-DZGCQCFKSA-N 1 0 407.467 -0.084 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1 ZINC000804897234 1070577038 /nfs/dbraw/zinc/57/70/38/1070577038.db2.gz IQLJHWOUDDAXBD-HIFRSBDPSA-N 1 0 407.467 -0.084 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1 ZINC000804897235 1070576930 /nfs/dbraw/zinc/57/69/30/1070576930.db2.gz IQLJHWOUDDAXBD-UKRRQHHQSA-N 1 0 407.467 -0.084 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1 ZINC000804897236 1070576734 /nfs/dbraw/zinc/57/67/34/1070576734.db2.gz IQLJHWOUDDAXBD-ZFWWWQNUSA-N 1 0 407.467 -0.084 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)C1 ZINC000804899341 1070577015 /nfs/dbraw/zinc/57/70/15/1070577015.db2.gz VOJFWELHKWRPHI-GFCCVEGCSA-N 1 0 415.416 -0.016 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)C1 ZINC000804899344 1070576900 /nfs/dbraw/zinc/57/69/00/1070576900.db2.gz VOJFWELHKWRPHI-LBPRGKRZSA-N 1 0 415.416 -0.016 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000804900505 1070576466 /nfs/dbraw/zinc/57/64/66/1070576466.db2.gz WEVODOYLDNDSCY-CABCVRRESA-N 1 0 414.503 -0.425 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000804900506 1070576832 /nfs/dbraw/zinc/57/68/32/1070576832.db2.gz WEVODOYLDNDSCY-GJZGRUSLSA-N 1 0 414.503 -0.425 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000804900507 1070577085 /nfs/dbraw/zinc/57/70/85/1070577085.db2.gz WEVODOYLDNDSCY-HUUCEWRRSA-N 1 0 414.503 -0.425 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000804900508 1070576676 /nfs/dbraw/zinc/57/66/76/1070576676.db2.gz WEVODOYLDNDSCY-LSDHHAIUSA-N 1 0 414.503 -0.425 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000804900882 1070576961 /nfs/dbraw/zinc/57/69/61/1070576961.db2.gz MRBXUMVEYZYLHO-AWEZNQCLSA-N 1 0 419.482 -0.613 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000804900883 1070576789 /nfs/dbraw/zinc/57/67/89/1070576789.db2.gz MRBXUMVEYZYLHO-CQSZACIVSA-N 1 0 419.482 -0.613 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cn1C ZINC000804952290 1070578443 /nfs/dbraw/zinc/57/84/43/1070578443.db2.gz IMGGVVMMCHQPBF-UHFFFAOYSA-N 1 0 414.484 -0.835 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000804987950 1070578721 /nfs/dbraw/zinc/57/87/21/1070578721.db2.gz RKODGZFCAHLKDU-CYBMUJFWSA-N 1 0 400.501 -0.315 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000804987953 1070578549 /nfs/dbraw/zinc/57/85/49/1070578549.db2.gz RKODGZFCAHLKDU-ZDUSSCGKSA-N 1 0 400.501 -0.315 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCC[S@@](C)=O)CC1 ZINC000804993481 1070582530 /nfs/dbraw/zinc/58/25/30/1070582530.db2.gz ONEAPZVZDFBZJT-MUUNZHRXSA-N 1 0 410.540 -0.230 20 0 HBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCC[S@](C)=O)CC1 ZINC000804993482 1070582613 /nfs/dbraw/zinc/58/26/13/1070582613.db2.gz ONEAPZVZDFBZJT-NDEPHWFRSA-N 1 0 410.540 -0.230 20 0 HBADRO C[S@](=O)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000804999533 1070584221 /nfs/dbraw/zinc/58/42/21/1070584221.db2.gz OVUAGEXKZCNOHJ-ADKRDUOOSA-N 1 0 421.567 -0.063 20 0 HBADRO C[S@@](=O)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000804999536 1070584499 /nfs/dbraw/zinc/58/44/99/1070584499.db2.gz OVUAGEXKZCNOHJ-CQGGRAHPSA-N 1 0 421.567 -0.063 20 0 HBADRO C[S@](=O)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000804999538 1070584467 /nfs/dbraw/zinc/58/44/67/1070584467.db2.gz OVUAGEXKZCNOHJ-JWRCQZCYSA-N 1 0 421.567 -0.063 20 0 HBADRO C[S@@](=O)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000804999540 1070584401 /nfs/dbraw/zinc/58/44/01/1070584401.db2.gz OVUAGEXKZCNOHJ-SFNQZPIRSA-N 1 0 421.567 -0.063 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cn1C ZINC000805014371 1070581127 /nfs/dbraw/zinc/58/11/27/1070581127.db2.gz YFBZYTKJTDVYIX-CYBMUJFWSA-N 1 0 400.501 -0.315 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cn1C ZINC000805014372 1070580995 /nfs/dbraw/zinc/58/09/95/1070580995.db2.gz YFBZYTKJTDVYIX-ZDUSSCGKSA-N 1 0 400.501 -0.315 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000805015400 1070581049 /nfs/dbraw/zinc/58/10/49/1070581049.db2.gz HUJRBWFWSWPDKH-AWEZNQCLSA-N 1 0 414.528 -0.067 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000805015401 1070580928 /nfs/dbraw/zinc/58/09/28/1070580928.db2.gz HUJRBWFWSWPDKH-CQSZACIVSA-N 1 0 414.528 -0.067 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCN2CC[NH+](CC)CC2)cn1C ZINC000805072059 1070588794 /nfs/dbraw/zinc/58/87/94/1070588794.db2.gz BVYSAXPIXFSTRY-UHFFFAOYSA-N 1 0 400.501 -0.313 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)F ZINC000805075614 1070590314 /nfs/dbraw/zinc/59/03/14/1070590314.db2.gz ZETWYIRKPWKZLY-SRVKXCTJSA-N 1 0 402.439 -0.029 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)F ZINC000805075615 1070590569 /nfs/dbraw/zinc/59/05/69/1070590569.db2.gz ZETWYIRKPWKZLY-TUAOUCFPSA-N 1 0 402.439 -0.029 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000805075616 1070590670 /nfs/dbraw/zinc/59/06/70/1070590670.db2.gz ZETWYIRKPWKZLY-UTUOFQBUSA-N 1 0 402.439 -0.029 20 0 HBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000805075617 1070590417 /nfs/dbraw/zinc/59/04/17/1070590417.db2.gz ZETWYIRKPWKZLY-WOPDTQHZSA-N 1 0 402.439 -0.029 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000805363969 1070776999 /nfs/dbraw/zinc/77/69/99/1070776999.db2.gz LETRGEJTOAKFNQ-UHFFFAOYSA-N 1 0 411.503 -0.654 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000805364089 1070596594 /nfs/dbraw/zinc/59/65/94/1070596594.db2.gz HHOMOJORYBUEGV-INIZCTEOSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000805364091 1070596368 /nfs/dbraw/zinc/59/63/68/1070596368.db2.gz HHOMOJORYBUEGV-MRXNPFEDSA-N 1 0 410.515 -0.153 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000805365419 1070596347 /nfs/dbraw/zinc/59/63/47/1070596347.db2.gz STGXDCDTQWJVRM-INIZCTEOSA-N 1 0 410.515 -0.201 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000805365424 1070596431 /nfs/dbraw/zinc/59/64/31/1070596431.db2.gz STGXDCDTQWJVRM-MRXNPFEDSA-N 1 0 410.515 -0.201 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC1(C)OCCO1 ZINC000805366948 1070777362 /nfs/dbraw/zinc/77/73/62/1070777362.db2.gz RKWWZHUIZQUKQT-HNNXBMFYSA-N 1 0 412.531 -0.049 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC1(C)OCCO1 ZINC000805366949 1070777626 /nfs/dbraw/zinc/77/76/26/1070777626.db2.gz RKWWZHUIZQUKQT-OAHLLOKOSA-N 1 0 412.531 -0.049 20 0 HBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805374839 1070785789 /nfs/dbraw/zinc/78/57/89/1070785789.db2.gz RSFZSENXABWSOR-INIZCTEOSA-N 1 0 402.561 -0.446 20 0 HBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805374841 1070785473 /nfs/dbraw/zinc/78/54/73/1070785473.db2.gz RSFZSENXABWSOR-MRXNPFEDSA-N 1 0 402.561 -0.446 20 0 HBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805374972 1070596254 /nfs/dbraw/zinc/59/62/54/1070596254.db2.gz VVGMGODETCHAIX-SJORKVTESA-N 1 0 414.572 -0.303 20 0 HBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805375342 1070785511 /nfs/dbraw/zinc/78/55/11/1070785511.db2.gz JIPPXNOMRCDQEC-KRWDZBQOSA-N 1 0 416.588 -0.008 20 0 HBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805375343 1070785810 /nfs/dbraw/zinc/78/58/10/1070785810.db2.gz JIPPXNOMRCDQEC-QGZVFWFLSA-N 1 0 416.588 -0.008 20 0 HBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805375369 1070596534 /nfs/dbraw/zinc/59/65/34/1070596534.db2.gz KJVOTOKKTVYIQL-HOTGVXAUSA-N 1 0 416.588 -0.009 20 0 HBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805375370 1070597102 /nfs/dbraw/zinc/59/71/02/1070597102.db2.gz KJVOTOKKTVYIQL-HZPDHXFCSA-N 1 0 416.588 -0.009 20 0 HBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805375371 1070597244 /nfs/dbraw/zinc/59/72/44/1070597244.db2.gz KJVOTOKKTVYIQL-IYBDPMFKSA-N 1 0 416.588 -0.009 20 0 HBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805376206 1070597308 /nfs/dbraw/zinc/59/73/08/1070597308.db2.gz OQURHMKZPKTIOG-UHFFFAOYSA-N 1 0 404.577 -0.342 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000805376256 1070786134 /nfs/dbraw/zinc/78/61/34/1070786134.db2.gz QLOLRQJFNRQMFL-INIZCTEOSA-N 1 0 416.588 -0.150 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000805376257 1070786473 /nfs/dbraw/zinc/78/64/73/1070786473.db2.gz QLOLRQJFNRQMFL-MRXNPFEDSA-N 1 0 416.588 -0.150 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000805378793 1070596968 /nfs/dbraw/zinc/59/69/68/1070596968.db2.gz MTRRQBBCVRAOHP-KRWDZBQOSA-N 1 0 414.572 -0.302 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000805378794 1070597043 /nfs/dbraw/zinc/59/70/43/1070597043.db2.gz MTRRQBBCVRAOHP-QGZVFWFLSA-N 1 0 414.572 -0.302 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000805379241 1070597183 /nfs/dbraw/zinc/59/71/83/1070597183.db2.gz VCZMKFKAQLCOHE-UHFFFAOYSA-N 1 0 423.539 -0.645 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805379294 1070597350 /nfs/dbraw/zinc/59/73/50/1070597350.db2.gz ASZQTNNVAAULGM-CVEARBPZSA-N 1 0 402.561 -0.399 20 0 HBADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805379295 1070597070 /nfs/dbraw/zinc/59/70/70/1070597070.db2.gz ASZQTNNVAAULGM-HOTGVXAUSA-N 1 0 402.561 -0.399 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805379296 1070596911 /nfs/dbraw/zinc/59/69/11/1070596911.db2.gz ASZQTNNVAAULGM-HZPDHXFCSA-N 1 0 402.561 -0.399 20 0 HBADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805379297 1070597200 /nfs/dbraw/zinc/59/72/00/1070597200.db2.gz ASZQTNNVAAULGM-JKSUJKDBSA-N 1 0 402.561 -0.399 20 0 HBADRO CC(C)(CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000805380437 1070597769 /nfs/dbraw/zinc/59/77/69/1070597769.db2.gz PVNMSGATJHJIGM-UHFFFAOYSA-N 1 0 416.588 -0.150 20 0 HBADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805380656 1070597944 /nfs/dbraw/zinc/59/79/44/1070597944.db2.gz FJKQFGFKMMKYHA-INIZCTEOSA-N 1 0 402.561 -0.399 20 0 HBADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805380657 1070789311 /nfs/dbraw/zinc/78/93/11/1070789311.db2.gz FJKQFGFKMMKYHA-MRXNPFEDSA-N 1 0 402.561 -0.399 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000805380752 1070789423 /nfs/dbraw/zinc/78/94/23/1070789423.db2.gz WUFMEZOZIVZKSE-UHFFFAOYSA-N 1 0 414.572 -0.302 20 0 HBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000805380789 1070598135 /nfs/dbraw/zinc/59/81/35/1070598135.db2.gz XWTQBJFARIWOGG-UHFFFAOYSA-N 1 0 402.561 -0.446 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000805381024 1070598048 /nfs/dbraw/zinc/59/80/48/1070598048.db2.gz AICZFMUJRPSUER-KRWDZBQOSA-N 1 0 414.572 -0.302 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000805381025 1070789216 /nfs/dbraw/zinc/78/92/16/1070789216.db2.gz AICZFMUJRPSUER-QGZVFWFLSA-N 1 0 414.572 -0.302 20 0 HBADRO C[NH+](C)CC1(CNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCC1 ZINC000805381105 1070598200 /nfs/dbraw/zinc/59/82/00/1070598200.db2.gz BRIFXLYFWGDNGE-UHFFFAOYSA-N 1 0 416.588 -0.150 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000805381290 1070597749 /nfs/dbraw/zinc/59/77/49/1070597749.db2.gz NCBABLAAVHPYAD-KRWDZBQOSA-N 1 0 414.572 -0.302 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000805381291 1070597976 /nfs/dbraw/zinc/59/79/76/1070597976.db2.gz NCBABLAAVHPYAD-QGZVFWFLSA-N 1 0 414.572 -0.302 20 0 HBADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000805381845 1070598763 /nfs/dbraw/zinc/59/87/63/1070598763.db2.gz VOFJRIVGSUYQJQ-UHFFFAOYSA-N 1 0 416.588 -0.056 20 0 HBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805381880 1070598724 /nfs/dbraw/zinc/59/87/24/1070598724.db2.gz MJTQTEGUAKHRFG-HNNXBMFYSA-N 1 0 402.561 -0.398 20 0 HBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805381884 1070598846 /nfs/dbraw/zinc/59/88/46/1070598846.db2.gz MJTQTEGUAKHRFG-OAHLLOKOSA-N 1 0 402.561 -0.398 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805382369 1070598630 /nfs/dbraw/zinc/59/86/30/1070598630.db2.gz PCWNPHMPJAIPML-CVEARBPZSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000805382370 1070598523 /nfs/dbraw/zinc/59/85/23/1070598523.db2.gz PCWNPHMPJAIPML-HOTGVXAUSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805382371 1070598967 /nfs/dbraw/zinc/59/89/67/1070598967.db2.gz PCWNPHMPJAIPML-HZPDHXFCSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000805382372 1070599075 /nfs/dbraw/zinc/59/90/75/1070599075.db2.gz PCWNPHMPJAIPML-JKSUJKDBSA-N 1 0 416.588 -0.152 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805382389 1070599466 /nfs/dbraw/zinc/59/94/66/1070599466.db2.gz PVEXUIGIGQIEME-INIZCTEOSA-N 1 0 416.588 -0.152 20 0 HBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805382390 1070599553 /nfs/dbraw/zinc/59/95/53/1070599553.db2.gz PVEXUIGIGQIEME-MRXNPFEDSA-N 1 0 416.588 -0.152 20 0 HBADRO C[C@@H](CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000805382930 1070595226 /nfs/dbraw/zinc/59/52/26/1070595226.db2.gz XIWHIRPHMKSBRQ-INIZCTEOSA-N 1 0 416.588 -0.008 20 0 HBADRO C[C@H](CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000805382932 1070595180 /nfs/dbraw/zinc/59/51/80/1070595180.db2.gz XIWHIRPHMKSBRQ-MRXNPFEDSA-N 1 0 416.588 -0.008 20 0 HBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805383065 1070599007 /nfs/dbraw/zinc/59/90/07/1070599007.db2.gz MGIIPWRDVXFKPZ-KRWDZBQOSA-N 1 0 416.588 -0.056 20 0 HBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805383066 1070598904 /nfs/dbraw/zinc/59/89/04/1070598904.db2.gz MGIIPWRDVXFKPZ-QGZVFWFLSA-N 1 0 416.588 -0.056 20 0 HBADRO C[C@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000805383099 1070789896 /nfs/dbraw/zinc/78/98/96/1070789896.db2.gz NOVCMFCZKVPOSF-AWEZNQCLSA-N 1 0 404.577 -0.296 20 0 HBADRO C[C@@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000805383100 1070789821 /nfs/dbraw/zinc/78/98/21/1070789821.db2.gz NOVCMFCZKVPOSF-CQSZACIVSA-N 1 0 404.577 -0.296 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000805383496 1070595657 /nfs/dbraw/zinc/59/56/57/1070595657.db2.gz DIRSYRWHLJUDLA-KRWDZBQOSA-N 1 0 414.572 -0.255 20 0 HBADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000805383497 1070595765 /nfs/dbraw/zinc/59/57/65/1070595765.db2.gz DIRSYRWHLJUDLA-QGZVFWFLSA-N 1 0 414.572 -0.255 20 0 HBADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805383739 1070595601 /nfs/dbraw/zinc/59/56/01/1070595601.db2.gz NHSGAJSWKSSRJC-UHFFFAOYSA-N 1 0 416.588 -0.054 20 0 HBADRO CC[S@@](=O)CCNC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000805613142 1070606406 /nfs/dbraw/zinc/60/64/06/1070606406.db2.gz KLYWCIZESUYVMH-MUUNZHRXSA-N 1 0 414.572 -0.288 20 0 HBADRO CC[S@](=O)CCNC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000805613143 1070606523 /nfs/dbraw/zinc/60/65/23/1070606523.db2.gz KLYWCIZESUYVMH-NDEPHWFRSA-N 1 0 414.572 -0.288 20 0 HBADRO CC[S@@](=O)CCNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000805613500 1070606556 /nfs/dbraw/zinc/60/65/56/1070606556.db2.gz CZUPBSRKLAZYHO-MUUNZHRXSA-N 1 0 416.588 -0.186 20 0 HBADRO CC[S@](=O)CCNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000805613507 1070606593 /nfs/dbraw/zinc/60/65/93/1070606593.db2.gz CZUPBSRKLAZYHO-NDEPHWFRSA-N 1 0 416.588 -0.186 20 0 HBADRO CC[S@@](=O)CCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000805617284 1070607170 /nfs/dbraw/zinc/60/71/70/1070607170.db2.gz DFBWWPPJSCUICF-HHHXNRCGSA-N 1 0 402.561 -0.386 20 0 HBADRO CC[S@](=O)CCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000805617286 1070943002 /nfs/dbraw/zinc/94/30/02/1070943002.db2.gz DFBWWPPJSCUICF-MHZLTWQESA-N 1 0 402.561 -0.386 20 0 HBADRO Cn1nc(C(=O)N2CCN(CCOC(=O)C3CC[NH+](C4CC4)CC3)CC2)ccc1=O ZINC000805872237 1070613269 /nfs/dbraw/zinc/61/32/69/1070613269.db2.gz NVTCSCHZBIKVCF-UHFFFAOYSA-N 1 0 417.510 -0.044 20 0 HBADRO CNC(=O)c1ccc(CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C2CC2)cc1 ZINC000806055152 1070624001 /nfs/dbraw/zinc/62/40/01/1070624001.db2.gz BMDXJRGUYOHXOO-GOSISDBHSA-N 1 0 401.511 -0.101 20 0 HBADRO CNC(=O)c1ccc(CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C2CC2)cc1 ZINC000806055153 1070623809 /nfs/dbraw/zinc/62/38/09/1070623809.db2.gz BMDXJRGUYOHXOO-SFHVURJKSA-N 1 0 401.511 -0.101 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000806055225 1070623921 /nfs/dbraw/zinc/62/39/21/1070623921.db2.gz OOURMJCRWBTUDV-GUDVDZBRSA-N 1 0 404.511 -0.301 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000806055226 1071067280 /nfs/dbraw/zinc/06/72/80/1071067280.db2.gz OOURMJCRWBTUDV-IPMKNSEASA-N 1 0 404.511 -0.301 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000806055227 1071067749 /nfs/dbraw/zinc/06/77/49/1071067749.db2.gz OOURMJCRWBTUDV-OTWHNJEPSA-N 1 0 404.511 -0.301 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000806055228 1071067239 /nfs/dbraw/zinc/06/72/39/1071067239.db2.gz OOURMJCRWBTUDV-QRVBRYPASA-N 1 0 404.511 -0.301 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000806055782 1071067321 /nfs/dbraw/zinc/06/73/21/1071067321.db2.gz MEINQTBXRPSITO-GOSISDBHSA-N 1 0 417.510 -0.171 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000806055783 1071067709 /nfs/dbraw/zinc/06/77/09/1071067709.db2.gz MEINQTBXRPSITO-SFHVURJKSA-N 1 0 417.510 -0.171 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000806056156 1070623933 /nfs/dbraw/zinc/62/39/33/1070623933.db2.gz RUDPGTIMMYPCEY-GFCCVEGCSA-N 1 0 414.432 -0.491 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000806056159 1070623842 /nfs/dbraw/zinc/62/38/42/1070623842.db2.gz RUDPGTIMMYPCEY-LBPRGKRZSA-N 1 0 414.432 -0.491 20 0 HBADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[C@H]2O ZINC000806056273 1070623875 /nfs/dbraw/zinc/62/38/75/1070623875.db2.gz VMRUCPBDKJRYID-DZGCQCFKSA-N 1 0 406.483 -0.559 20 0 HBADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[C@@H]2O ZINC000806056274 1070623907 /nfs/dbraw/zinc/62/39/07/1070623907.db2.gz VMRUCPBDKJRYID-HIFRSBDPSA-N 1 0 406.483 -0.559 20 0 HBADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[C@H]2O ZINC000806056275 1070623712 /nfs/dbraw/zinc/62/37/12/1070623712.db2.gz VMRUCPBDKJRYID-UKRRQHHQSA-N 1 0 406.483 -0.559 20 0 HBADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[C@@H]2O ZINC000806056276 1070623828 /nfs/dbraw/zinc/62/38/28/1070623828.db2.gz VMRUCPBDKJRYID-ZFWWWQNUSA-N 1 0 406.483 -0.559 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000806056866 1071067536 /nfs/dbraw/zinc/06/75/36/1071067536.db2.gz KFQNOIMFGYLYIX-CYBMUJFWSA-N 1 0 407.437 -0.735 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000806056867 1071067142 /nfs/dbraw/zinc/06/71/42/1071067142.db2.gz KFQNOIMFGYLYIX-ZDUSSCGKSA-N 1 0 407.437 -0.735 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000806057481 1070623977 /nfs/dbraw/zinc/62/39/77/1070623977.db2.gz MFTKEQFBHBBJIP-MSOLQXFVSA-N 1 0 401.511 -0.344 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000806057482 1070623891 /nfs/dbraw/zinc/62/38/91/1070623891.db2.gz MFTKEQFBHBBJIP-QZTJIDSGSA-N 1 0 401.511 -0.344 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000806057483 1070623764 /nfs/dbraw/zinc/62/37/64/1070623764.db2.gz MFTKEQFBHBBJIP-ROUUACIJSA-N 1 0 401.511 -0.344 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000806057484 1070623745 /nfs/dbraw/zinc/62/37/45/1070623745.db2.gz MFTKEQFBHBBJIP-ZWKOTPCHSA-N 1 0 401.511 -0.344 20 0 HBADRO CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000806058548 1070623963 /nfs/dbraw/zinc/62/39/63/1070623963.db2.gz MWKTVOPBOAQDJW-MSOLQXFVSA-N 1 0 401.511 -0.392 20 0 HBADRO CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000806058549 1070624812 /nfs/dbraw/zinc/62/48/12/1070624812.db2.gz MWKTVOPBOAQDJW-QZTJIDSGSA-N 1 0 401.511 -0.392 20 0 HBADRO CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000806058550 1070624750 /nfs/dbraw/zinc/62/47/50/1070624750.db2.gz MWKTVOPBOAQDJW-ROUUACIJSA-N 1 0 401.511 -0.392 20 0 HBADRO CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000806058551 1070624693 /nfs/dbraw/zinc/62/46/93/1070624693.db2.gz MWKTVOPBOAQDJW-ZWKOTPCHSA-N 1 0 401.511 -0.392 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000806060064 1070624705 /nfs/dbraw/zinc/62/47/05/1070624705.db2.gz XIUHVRNIZJLOGZ-GFCCVEGCSA-N 1 0 407.462 -0.375 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000806060065 1070624626 /nfs/dbraw/zinc/62/46/26/1070624626.db2.gz XIUHVRNIZJLOGZ-LBPRGKRZSA-N 1 0 407.462 -0.375 20 0 HBADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000806061480 1070624677 /nfs/dbraw/zinc/62/46/77/1070624677.db2.gz NUFRTYQUUKHEIG-MSOLQXFVSA-N 1 0 401.511 -0.031 20 0 HBADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000806061481 1070624794 /nfs/dbraw/zinc/62/47/94/1070624794.db2.gz NUFRTYQUUKHEIG-QZTJIDSGSA-N 1 0 401.511 -0.031 20 0 HBADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000806061482 1070624718 /nfs/dbraw/zinc/62/47/18/1070624718.db2.gz NUFRTYQUUKHEIG-ROUUACIJSA-N 1 0 401.511 -0.031 20 0 HBADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2=O)cc1 ZINC000806061483 1070624601 /nfs/dbraw/zinc/62/46/01/1070624601.db2.gz NUFRTYQUUKHEIG-ZWKOTPCHSA-N 1 0 401.511 -0.031 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000806064589 1070626867 /nfs/dbraw/zinc/62/68/67/1070626867.db2.gz WCFMENIASJKTGT-CABCVRRESA-N 1 0 413.519 -0.900 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000806064596 1070627081 /nfs/dbraw/zinc/62/70/81/1070627081.db2.gz WCFMENIASJKTGT-GJZGRUSLSA-N 1 0 413.519 -0.900 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000806064598 1070627210 /nfs/dbraw/zinc/62/72/10/1070627210.db2.gz WCFMENIASJKTGT-HUUCEWRRSA-N 1 0 413.519 -0.900 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000806064601 1070627164 /nfs/dbraw/zinc/62/71/64/1070627164.db2.gz WCFMENIASJKTGT-LSDHHAIUSA-N 1 0 413.519 -0.900 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000806065525 1070626916 /nfs/dbraw/zinc/62/69/16/1070626916.db2.gz MWKDQRXEBRZQDY-OWCLPIDISA-N 1 0 409.531 -0.326 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000806065526 1070627012 /nfs/dbraw/zinc/62/70/12/1070627012.db2.gz MWKDQRXEBRZQDY-XHSDSOJGSA-N 1 0 409.531 -0.326 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000806065806 1070627041 /nfs/dbraw/zinc/62/70/41/1070627041.db2.gz KIGBPVRXIWUECQ-ARFHVFGLSA-N 1 0 410.540 -0.239 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000806065810 1070627133 /nfs/dbraw/zinc/62/71/33/1070627133.db2.gz KIGBPVRXIWUECQ-BZUAXINKSA-N 1 0 410.540 -0.239 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000806065813 1070627189 /nfs/dbraw/zinc/62/71/89/1070627189.db2.gz KIGBPVRXIWUECQ-OAGGEKHMSA-N 1 0 410.540 -0.239 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000806065815 1070626971 /nfs/dbraw/zinc/62/69/71/1070626971.db2.gz KIGBPVRXIWUECQ-XHSDSOJGSA-N 1 0 410.540 -0.239 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000806066777 1070626822 /nfs/dbraw/zinc/62/68/22/1070626822.db2.gz UWFBAYVXNZRKFA-INIZCTEOSA-N 1 0 408.934 -0.259 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000806066778 1071070283 /nfs/dbraw/zinc/07/02/83/1071070283.db2.gz UWFBAYVXNZRKFA-MRXNPFEDSA-N 1 0 408.934 -0.259 20 0 HBADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000806099577 1070626144 /nfs/dbraw/zinc/62/61/44/1070626144.db2.gz GBLMGHQPWBYJGQ-UHFFFAOYSA-N 1 0 402.439 -0.316 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000806102147 1071099804 /nfs/dbraw/zinc/09/98/04/1071099804.db2.gz CGFLAWKYGSCFEP-GFCCVEGCSA-N 1 0 414.450 -0.125 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000806102148 1071099481 /nfs/dbraw/zinc/09/94/81/1071099481.db2.gz CGFLAWKYGSCFEP-LBPRGKRZSA-N 1 0 414.450 -0.125 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000806191937 1070630377 /nfs/dbraw/zinc/63/03/77/1070630377.db2.gz QSRIJFYWBDLJPS-ASHKIFAZSA-N 1 0 400.545 -0.585 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000806191938 1070629482 /nfs/dbraw/zinc/62/94/82/1070629482.db2.gz QSRIJFYWBDLJPS-LOKFHWFJSA-N 1 0 400.545 -0.585 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000806191939 1070629608 /nfs/dbraw/zinc/62/96/08/1070629608.db2.gz QSRIJFYWBDLJPS-PGGUUEOZSA-N 1 0 400.545 -0.585 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000806191941 1070629368 /nfs/dbraw/zinc/62/93/68/1070629368.db2.gz QSRIJFYWBDLJPS-PWFNWSNSSA-N 1 0 400.545 -0.585 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000806195857 1070631008 /nfs/dbraw/zinc/63/10/08/1070631008.db2.gz HJPKNVFGXWTFJB-HHHXNRCGSA-N 1 0 402.561 -0.338 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000806195858 1070631071 /nfs/dbraw/zinc/63/10/71/1070631071.db2.gz HJPKNVFGXWTFJB-MHZLTWQESA-N 1 0 402.561 -0.338 20 0 HBADRO CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000806196948 1070631134 /nfs/dbraw/zinc/63/11/34/1070631134.db2.gz GIBPLDDSLGCJAX-HHHXNRCGSA-N 1 0 400.545 -0.584 20 0 HBADRO CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000806196949 1070631040 /nfs/dbraw/zinc/63/10/40/1070631040.db2.gz GIBPLDDSLGCJAX-MHZLTWQESA-N 1 0 400.545 -0.584 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000806197358 1070631825 /nfs/dbraw/zinc/63/18/25/1070631825.db2.gz UMOBXKLZTYFXQB-GDLZYMKVSA-N 1 0 421.527 -0.325 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000806197360 1070631861 /nfs/dbraw/zinc/63/18/61/1070631861.db2.gz UMOBXKLZTYFXQB-LJAQVGFWSA-N 1 0 421.527 -0.325 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C[C@H]1COCC2 ZINC000806209983 1070632733 /nfs/dbraw/zinc/63/27/33/1070632733.db2.gz JMNFVRZHXWCSRB-CKJXQJPGSA-N 1 0 422.526 -0.691 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C[C@H]1COCC2 ZINC000806209984 1070632658 /nfs/dbraw/zinc/63/26/58/1070632658.db2.gz JMNFVRZHXWCSRB-GCKMJXCFSA-N 1 0 422.526 -0.691 20 0 HBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N(CCS(C)(=O)=O)C3CC3)C2)CC1 ZINC000806210428 1070632723 /nfs/dbraw/zinc/63/27/23/1070632723.db2.gz QDPOTXHZAPXGFM-AWEZNQCLSA-N 1 0 400.545 -0.693 20 0 HBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCS(C)(=O)=O)C3CC3)C2)CC1 ZINC000806210429 1070632499 /nfs/dbraw/zinc/63/24/99/1070632499.db2.gz QDPOTXHZAPXGFM-CQSZACIVSA-N 1 0 400.545 -0.693 20 0 HBADRO CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806210479 1070632644 /nfs/dbraw/zinc/63/26/44/1070632644.db2.gz RHUCYGVEKIBLDE-HNNXBMFYSA-N 1 0 402.561 -0.447 20 0 HBADRO CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806210480 1070632885 /nfs/dbraw/zinc/63/28/85/1070632885.db2.gz RHUCYGVEKIBLDE-OAHLLOKOSA-N 1 0 402.561 -0.447 20 0 HBADRO CCOC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000806211817 1070632511 /nfs/dbraw/zinc/63/25/11/1070632511.db2.gz NJWWPVRYXKZQPP-INIZCTEOSA-N 1 0 409.531 -0.038 20 0 HBADRO CCOC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000806211818 1070632827 /nfs/dbraw/zinc/63/28/27/1070632827.db2.gz NJWWPVRYXKZQPP-MRXNPFEDSA-N 1 0 409.531 -0.038 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCC2(C)OCCO2)CC1 ZINC000806378140 1070636875 /nfs/dbraw/zinc/63/68/75/1070636875.db2.gz YNYCBYSVEBCBHY-UHFFFAOYSA-N 1 0 412.531 -0.001 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000806467787 1070640838 /nfs/dbraw/zinc/64/08/38/1070640838.db2.gz LAXWJZYHQZKGDC-KBPBESRZSA-N 1 0 400.570 -0.284 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806467788 1070640597 /nfs/dbraw/zinc/64/05/97/1070640597.db2.gz LAXWJZYHQZKGDC-KGLIPLIRSA-N 1 0 400.570 -0.284 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000806467789 1070640744 /nfs/dbraw/zinc/64/07/44/1070640744.db2.gz LAXWJZYHQZKGDC-UONOGXRCSA-N 1 0 400.570 -0.284 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806467790 1070640807 /nfs/dbraw/zinc/64/08/07/1070640807.db2.gz LAXWJZYHQZKGDC-ZIAGYGMSSA-N 1 0 400.570 -0.284 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000806475615 1070641555 /nfs/dbraw/zinc/64/15/55/1070641555.db2.gz FEUWMSCZRDBYNX-AWEZNQCLSA-N 1 0 402.586 -0.036 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806475616 1070641605 /nfs/dbraw/zinc/64/16/05/1070641605.db2.gz FEUWMSCZRDBYNX-CQSZACIVSA-N 1 0 402.586 -0.036 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000806476577 1070641460 /nfs/dbraw/zinc/64/14/60/1070641460.db2.gz BHABMMGICYKJBF-AWEZNQCLSA-N 1 0 400.570 -0.282 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806476579 1070641345 /nfs/dbraw/zinc/64/13/45/1070641345.db2.gz BHABMMGICYKJBF-CQSZACIVSA-N 1 0 400.570 -0.282 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC2COC(C)(C)OC2)CC1 ZINC000806657593 1070647794 /nfs/dbraw/zinc/64/77/94/1070647794.db2.gz IJPXAJJSIVUFFP-UHFFFAOYSA-N 1 0 412.531 -0.003 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000806684335 1070650963 /nfs/dbraw/zinc/65/09/63/1070650963.db2.gz HXFLECXYJRHLGR-CVEARBPZSA-N 1 0 408.499 -0.447 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000806684339 1070651170 /nfs/dbraw/zinc/65/11/70/1070651170.db2.gz HXFLECXYJRHLGR-HOTGVXAUSA-N 1 0 408.499 -0.447 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000806684341 1070651061 /nfs/dbraw/zinc/65/10/61/1070651061.db2.gz HXFLECXYJRHLGR-HZPDHXFCSA-N 1 0 408.499 -0.447 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000806684343 1070651118 /nfs/dbraw/zinc/65/11/18/1070651118.db2.gz HXFLECXYJRHLGR-JKSUJKDBSA-N 1 0 408.499 -0.447 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000806689704 1070652383 /nfs/dbraw/zinc/65/23/83/1070652383.db2.gz PVNHSPJIXLFLQF-INIZCTEOSA-N 1 0 410.515 -0.199 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000806689705 1070652538 /nfs/dbraw/zinc/65/25/38/1070652538.db2.gz PVNHSPJIXLFLQF-MRXNPFEDSA-N 1 0 410.515 -0.199 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000806690992 1070652481 /nfs/dbraw/zinc/65/24/81/1070652481.db2.gz FWWABSVOJGXUOJ-INIZCTEOSA-N 1 0 408.499 -0.445 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000806690993 1070652413 /nfs/dbraw/zinc/65/24/13/1070652413.db2.gz FWWABSVOJGXUOJ-MRXNPFEDSA-N 1 0 408.499 -0.445 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000806695569 1070654043 /nfs/dbraw/zinc/65/40/43/1070654043.db2.gz UEGDEAOQLAJZHJ-DLBZAZTESA-N 1 0 422.526 -0.057 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000806695571 1070653935 /nfs/dbraw/zinc/65/39/35/1070653935.db2.gz UEGDEAOQLAJZHJ-IAGOWNOFSA-N 1 0 422.526 -0.057 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000806695573 1070654093 /nfs/dbraw/zinc/65/40/93/1070654093.db2.gz UEGDEAOQLAJZHJ-IRXDYDNUSA-N 1 0 422.526 -0.057 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000806695575 1070653958 /nfs/dbraw/zinc/65/39/58/1070653958.db2.gz UEGDEAOQLAJZHJ-SJORKVTESA-N 1 0 422.526 -0.057 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000806700109 1070655496 /nfs/dbraw/zinc/65/54/96/1070655496.db2.gz NMSVJDMKUMBALA-KRWDZBQOSA-N 1 0 422.526 -0.055 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000806700110 1070655444 /nfs/dbraw/zinc/65/54/44/1070655444.db2.gz NMSVJDMKUMBALA-QGZVFWFLSA-N 1 0 422.526 -0.055 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)ccn1 ZINC000806708983 1070657805 /nfs/dbraw/zinc/65/78/05/1070657805.db2.gz CMLVSGSIPNDLRD-INIZCTEOSA-N 1 0 422.482 -0.324 20 0 HBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)ccn1 ZINC000806708984 1070657833 /nfs/dbraw/zinc/65/78/33/1070657833.db2.gz CMLVSGSIPNDLRD-MRXNPFEDSA-N 1 0 422.482 -0.324 20 0 HBADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000806709701 1070657767 /nfs/dbraw/zinc/65/77/67/1070657767.db2.gz JXNYPLLHBAKANM-KRWDZBQOSA-N 1 0 411.499 -0.405 20 0 HBADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000806709702 1070657732 /nfs/dbraw/zinc/65/77/32/1070657732.db2.gz JXNYPLLHBAKANM-QGZVFWFLSA-N 1 0 411.499 -0.405 20 0 HBADRO CN(C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806710090 1070658203 /nfs/dbraw/zinc/65/82/03/1070658203.db2.gz PAHNZSSKICBHBV-MSOLQXFVSA-N 1 0 424.542 -0.348 20 0 HBADRO CN(C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806710092 1070657779 /nfs/dbraw/zinc/65/77/79/1070657779.db2.gz PAHNZSSKICBHBV-QZTJIDSGSA-N 1 0 424.542 -0.348 20 0 HBADRO CN(C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806710094 1070657702 /nfs/dbraw/zinc/65/77/02/1070657702.db2.gz PAHNZSSKICBHBV-ROUUACIJSA-N 1 0 424.542 -0.348 20 0 HBADRO CN(C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806710095 1070657817 /nfs/dbraw/zinc/65/78/17/1070657817.db2.gz PAHNZSSKICBHBV-ZWKOTPCHSA-N 1 0 424.542 -0.348 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806710681 1070657689 /nfs/dbraw/zinc/65/76/89/1070657689.db2.gz WIZUGRWENIICEN-HNNXBMFYSA-N 1 0 420.466 -0.223 20 0 HBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806710682 1070657663 /nfs/dbraw/zinc/65/76/63/1070657663.db2.gz WIZUGRWENIICEN-OAHLLOKOSA-N 1 0 420.466 -0.223 20 0 HBADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000806713088 1070659874 /nfs/dbraw/zinc/65/98/74/1070659874.db2.gz KYOJNRIZROEJDW-DLBZAZTESA-N 1 0 411.499 -0.405 20 0 HBADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000806713089 1070660037 /nfs/dbraw/zinc/66/00/37/1070660037.db2.gz KYOJNRIZROEJDW-IRXDYDNUSA-N 1 0 411.499 -0.405 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806713373 1070659974 /nfs/dbraw/zinc/65/99/74/1070659974.db2.gz KQBSGLOXQACHMA-MSOLQXFVSA-N 1 0 424.542 -0.347 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806713376 1070659857 /nfs/dbraw/zinc/65/98/57/1070659857.db2.gz KQBSGLOXQACHMA-QZTJIDSGSA-N 1 0 424.542 -0.347 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806713378 1070659834 /nfs/dbraw/zinc/65/98/34/1070659834.db2.gz KQBSGLOXQACHMA-ROUUACIJSA-N 1 0 424.542 -0.347 20 0 HBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806713380 1070660026 /nfs/dbraw/zinc/66/00/26/1070660026.db2.gz KQBSGLOXQACHMA-ZWKOTPCHSA-N 1 0 424.542 -0.347 20 0 HBADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000806713879 1070660799 /nfs/dbraw/zinc/66/07/99/1070660799.db2.gz UALAHPOELLORHH-KRWDZBQOSA-N 1 0 411.499 -0.405 20 0 HBADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000806713880 1070660720 /nfs/dbraw/zinc/66/07/20/1070660720.db2.gz UALAHPOELLORHH-QGZVFWFLSA-N 1 0 411.499 -0.405 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806714255 1070660677 /nfs/dbraw/zinc/66/06/77/1070660677.db2.gz WOPLKVUUMFDSRJ-KRWDZBQOSA-N 1 0 412.531 -0.491 20 0 HBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806714256 1070660758 /nfs/dbraw/zinc/66/07/58/1070660758.db2.gz WOPLKVUUMFDSRJ-QGZVFWFLSA-N 1 0 412.531 -0.491 20 0 HBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806714594 1070660632 /nfs/dbraw/zinc/66/06/32/1070660632.db2.gz DLWTYGXUAFDRFX-KRWDZBQOSA-N 1 0 413.515 -0.016 20 0 HBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806714595 1070660809 /nfs/dbraw/zinc/66/08/09/1070660809.db2.gz DLWTYGXUAFDRFX-QGZVFWFLSA-N 1 0 413.515 -0.016 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c1 ZINC000806714814 1070661372 /nfs/dbraw/zinc/66/13/72/1070661372.db2.gz HVHDIRHUWWDWKT-INIZCTEOSA-N 1 0 420.466 -0.223 20 0 HBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c1 ZINC000806714815 1070661489 /nfs/dbraw/zinc/66/14/89/1070661489.db2.gz HVHDIRHUWWDWKT-MRXNPFEDSA-N 1 0 420.466 -0.223 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)C1 ZINC000806714831 1070661359 /nfs/dbraw/zinc/66/13/59/1070661359.db2.gz IDVBJWIOGJLNFC-DLBZAZTESA-N 1 0 410.515 -0.737 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)C1 ZINC000806714832 1070661397 /nfs/dbraw/zinc/66/13/97/1070661397.db2.gz IDVBJWIOGJLNFC-IAGOWNOFSA-N 1 0 410.515 -0.737 20 0 HBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)C1 ZINC000806714833 1070661447 /nfs/dbraw/zinc/66/14/47/1070661447.db2.gz IDVBJWIOGJLNFC-IRXDYDNUSA-N 1 0 410.515 -0.737 20 0 HBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)C1 ZINC000806714834 1070661516 /nfs/dbraw/zinc/66/15/16/1070661516.db2.gz IDVBJWIOGJLNFC-SJORKVTESA-N 1 0 410.515 -0.737 20 0 HBADRO O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000806714965 1070661501 /nfs/dbraw/zinc/66/15/01/1070661501.db2.gz KYOJNRIZROEJDW-IAGOWNOFSA-N 1 0 411.499 -0.405 20 0 HBADRO O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000806714967 1070661332 /nfs/dbraw/zinc/66/13/32/1070661332.db2.gz KYOJNRIZROEJDW-SJORKVTESA-N 1 0 411.499 -0.405 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000806716889 1070662062 /nfs/dbraw/zinc/66/20/62/1070662062.db2.gz IBCUSEGKGIGNTB-DLBZAZTESA-N 1 0 413.515 -0.016 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000806716890 1070662010 /nfs/dbraw/zinc/66/20/10/1070662010.db2.gz IBCUSEGKGIGNTB-IAGOWNOFSA-N 1 0 413.515 -0.016 20 0 HBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000806716891 1070662623 /nfs/dbraw/zinc/66/26/23/1070662623.db2.gz IBCUSEGKGIGNTB-IRXDYDNUSA-N 1 0 413.515 -0.016 20 0 HBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000806716892 1070662722 /nfs/dbraw/zinc/66/27/22/1070662722.db2.gz IBCUSEGKGIGNTB-SJORKVTESA-N 1 0 413.515 -0.016 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806716973 1070662016 /nfs/dbraw/zinc/66/20/16/1070662016.db2.gz JJFQNTUEHCDVEO-DOTOQJQBSA-N 1 0 411.499 -0.264 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806716974 1070661984 /nfs/dbraw/zinc/66/19/84/1070661984.db2.gz JJFQNTUEHCDVEO-NVXWUHKLSA-N 1 0 411.499 -0.264 20 0 HBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806716975 1070662092 /nfs/dbraw/zinc/66/20/92/1070662092.db2.gz JJFQNTUEHCDVEO-RDJZCZTQSA-N 1 0 411.499 -0.264 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806716976 1070662150 /nfs/dbraw/zinc/66/21/50/1070662150.db2.gz JJFQNTUEHCDVEO-WBVHZDCISA-N 1 0 411.499 -0.264 20 0 HBADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000806784849 1070666067 /nfs/dbraw/zinc/66/60/67/1070666067.db2.gz BNQNKNFUJHFEJJ-MSOLQXFVSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000806784852 1070666114 /nfs/dbraw/zinc/66/61/14/1070666114.db2.gz BNQNKNFUJHFEJJ-QZTJIDSGSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000806784853 1070666036 /nfs/dbraw/zinc/66/60/36/1070666036.db2.gz BNQNKNFUJHFEJJ-ROUUACIJSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000806784855 1070666217 /nfs/dbraw/zinc/66/62/17/1070666217.db2.gz BNQNKNFUJHFEJJ-ZWKOTPCHSA-N 1 0 420.558 -0.023 20 0 HBADRO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000806785415 1070666332 /nfs/dbraw/zinc/66/63/32/1070666332.db2.gz LWVPIXDZPNMPSL-DLBZAZTESA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000806785416 1070666178 /nfs/dbraw/zinc/66/61/78/1070666178.db2.gz LWVPIXDZPNMPSL-IAGOWNOFSA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000806785417 1070665970 /nfs/dbraw/zinc/66/59/70/1070665970.db2.gz LWVPIXDZPNMPSL-IRXDYDNUSA-N 1 0 420.558 -0.166 20 0 HBADRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000806785418 1070666272 /nfs/dbraw/zinc/66/62/72/1070666272.db2.gz LWVPIXDZPNMPSL-SJORKVTESA-N 1 0 420.558 -0.166 20 0 HBADRO CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806787007 1070667071 /nfs/dbraw/zinc/66/70/71/1070667071.db2.gz CKJUOFSVLFXEFC-CYBMUJFWSA-N 1 0 421.464 -0.250 20 0 HBADRO CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806787008 1070667101 /nfs/dbraw/zinc/66/71/01/1070667101.db2.gz CKJUOFSVLFXEFC-ZDUSSCGKSA-N 1 0 421.464 -0.250 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806882155 1070669596 /nfs/dbraw/zinc/66/95/96/1070669596.db2.gz GMPOZSFODMJMMY-HNNXBMFYSA-N 1 0 401.471 -0.661 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806882156 1070669519 /nfs/dbraw/zinc/66/95/19/1070669519.db2.gz GMPOZSFODMJMMY-OAHLLOKOSA-N 1 0 401.471 -0.661 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000806903321 1070671636 /nfs/dbraw/zinc/67/16/36/1070671636.db2.gz ORBVFZXEVWJYOP-DLBZAZTESA-N 1 0 404.467 -0.019 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000806903324 1070671759 /nfs/dbraw/zinc/67/17/59/1070671759.db2.gz ORBVFZXEVWJYOP-IAGOWNOFSA-N 1 0 404.467 -0.019 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000806903326 1070671721 /nfs/dbraw/zinc/67/17/21/1070671721.db2.gz ORBVFZXEVWJYOP-IRXDYDNUSA-N 1 0 404.467 -0.019 20 0 HBADRO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000806903328 1070671569 /nfs/dbraw/zinc/67/15/69/1070671569.db2.gz ORBVFZXEVWJYOP-SJORKVTESA-N 1 0 404.467 -0.019 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC000806904352 1070671697 /nfs/dbraw/zinc/67/16/97/1070671697.db2.gz ZNRMFXBGVOLJMV-CHWSQXEVSA-N 1 0 414.459 -0.348 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC000806904359 1070671883 /nfs/dbraw/zinc/67/18/83/1070671883.db2.gz ZNRMFXBGVOLJMV-OLZOCXBDSA-N 1 0 414.459 -0.348 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1F ZINC000806904361 1070671906 /nfs/dbraw/zinc/67/19/06/1070671906.db2.gz ZNRMFXBGVOLJMV-QWHCGFSZSA-N 1 0 414.459 -0.348 20 0 HBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1F ZINC000806904363 1070671605 /nfs/dbraw/zinc/67/16/05/1070671605.db2.gz ZNRMFXBGVOLJMV-STQMWFEESA-N 1 0 414.459 -0.348 20 0 HBADRO CC(C)C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)NCC[NH+](C)C ZINC000807021563 1070678392 /nfs/dbraw/zinc/67/83/92/1070678392.db2.gz HWQQDDDNKQTVGT-HNNXBMFYSA-N 1 0 403.487 -0.511 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1 ZINC000807025859 1070679076 /nfs/dbraw/zinc/67/90/76/1070679076.db2.gz DRKOHCKPCUHXNO-UHFFFAOYSA-N 1 0 404.427 -0.169 20 0 HBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)NN1CC(=O)NC1=O ZINC000807063240 1070680698 /nfs/dbraw/zinc/68/06/98/1070680698.db2.gz PGLUVUWOIMNLFM-UHFFFAOYSA-N 1 0 400.439 -0.260 20 0 HBADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)CC1 ZINC000807368347 1070689103 /nfs/dbraw/zinc/68/91/03/1070689103.db2.gz FJXPEDOQQSMUHT-UHFFFAOYSA-N 1 0 418.498 -0.134 20 0 HBADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000807394145 1070689186 /nfs/dbraw/zinc/68/91/86/1070689186.db2.gz ATVAQYIGLRTVTF-AWEZNQCLSA-N 1 0 412.512 -0.178 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC1(C)OCCO1 ZINC000807418598 1070691789 /nfs/dbraw/zinc/69/17/89/1070691789.db2.gz WPQYRVWDFFEFKW-CVEARBPZSA-N 1 0 410.515 -0.343 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC1(C)OCCO1 ZINC000807418599 1070691972 /nfs/dbraw/zinc/69/19/72/1070691972.db2.gz WPQYRVWDFFEFKW-HOTGVXAUSA-N 1 0 410.515 -0.343 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC1(C)OCCO1 ZINC000807418600 1070691905 /nfs/dbraw/zinc/69/19/05/1070691905.db2.gz WPQYRVWDFFEFKW-HZPDHXFCSA-N 1 0 410.515 -0.343 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC1(C)OCCO1 ZINC000807418601 1070691718 /nfs/dbraw/zinc/69/17/18/1070691718.db2.gz WPQYRVWDFFEFKW-JKSUJKDBSA-N 1 0 410.515 -0.343 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 ZINC000807422425 1070691842 /nfs/dbraw/zinc/69/18/42/1070691842.db2.gz IOSMZGFCRNDQIZ-INIZCTEOSA-N 1 0 412.531 -0.096 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 ZINC000807422427 1070692647 /nfs/dbraw/zinc/69/26/47/1070692647.db2.gz IOSMZGFCRNDQIZ-MRXNPFEDSA-N 1 0 412.531 -0.096 20 0 HBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CC1(C)OCCO1 ZINC000807423140 1070692843 /nfs/dbraw/zinc/69/28/43/1070692843.db2.gz JTIZUFQOBJCYSB-INIZCTEOSA-N 1 0 410.515 -0.342 20 0 HBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CC1(C)OCCO1 ZINC000807423141 1070692735 /nfs/dbraw/zinc/69/27/35/1070692735.db2.gz JTIZUFQOBJCYSB-MRXNPFEDSA-N 1 0 410.515 -0.342 20 0 HBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000807458666 1070692774 /nfs/dbraw/zinc/69/27/74/1070692774.db2.gz GYWJWBZZOBOQTM-HNNXBMFYSA-N 1 0 405.499 -0.014 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000807649417 1070701746 /nfs/dbraw/zinc/70/17/46/1070701746.db2.gz YGJCUVKNWKTVTR-JFDDCEBESA-N 1 0 422.482 -0.887 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000807649424 1070701615 /nfs/dbraw/zinc/70/16/15/1070701615.db2.gz YGJCUVKNWKTVTR-KJPDOMRESA-N 1 0 422.482 -0.887 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000807649426 1070701817 /nfs/dbraw/zinc/70/18/17/1070701817.db2.gz YGJCUVKNWKTVTR-OGZRUICASA-N 1 0 422.482 -0.887 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000807649428 1070701722 /nfs/dbraw/zinc/70/17/22/1070701722.db2.gz YGJCUVKNWKTVTR-SQRWCISFSA-N 1 0 422.482 -0.887 20 0 HBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000807685702 1070703251 /nfs/dbraw/zinc/70/32/51/1070703251.db2.gz WRMVCZHFQRHEOT-UHFFFAOYSA-N 1 0 400.545 -0.093 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000807767879 1070708643 /nfs/dbraw/zinc/70/86/43/1070708643.db2.gz VZYJBICWGLXILS-HNNXBMFYSA-N 1 0 402.495 -0.051 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000807767880 1070708722 /nfs/dbraw/zinc/70/87/22/1070708722.db2.gz VZYJBICWGLXILS-OAHLLOKOSA-N 1 0 402.495 -0.051 20 0 HBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000807782273 1070707263 /nfs/dbraw/zinc/70/72/63/1070707263.db2.gz VCISGOVPIACPDP-LLVKDONJSA-N 1 0 400.423 -0.373 20 0 HBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000807782278 1070706969 /nfs/dbraw/zinc/70/69/69/1070706969.db2.gz VCISGOVPIACPDP-NSHDSACASA-N 1 0 400.423 -0.373 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807782416 1070707195 /nfs/dbraw/zinc/70/71/95/1070707195.db2.gz WKLBYHZZBUQXHV-UHFFFAOYSA-N 1 0 418.438 -0.889 20 0 HBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000807782603 1070707126 /nfs/dbraw/zinc/70/71/26/1070707126.db2.gz ZDTZYYRURVHJCR-GFCCVEGCSA-N 1 0 414.450 -0.031 20 0 HBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000807782604 1070707101 /nfs/dbraw/zinc/70/71/01/1070707101.db2.gz ZDTZYYRURVHJCR-LBPRGKRZSA-N 1 0 414.450 -0.031 20 0 HBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807783082 1070707637 /nfs/dbraw/zinc/70/76/37/1070707637.db2.gz GNEAPJLPZOYISU-UHFFFAOYSA-N 1 0 414.450 -0.031 20 0 HBADRO CC[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000807783567 1070707064 /nfs/dbraw/zinc/70/70/64/1070707064.db2.gz POVRBNXBDJOYKH-UHFFFAOYSA-N 1 0 414.450 -0.029 20 0 HBADRO CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807783749 1070707215 /nfs/dbraw/zinc/70/72/15/1070707215.db2.gz SGMIPLPYBAERFB-UHFFFAOYSA-N 1 0 402.439 -0.173 20 0 HBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807785375 1070707681 /nfs/dbraw/zinc/70/76/81/1070707681.db2.gz UTWRPIWTKSPSRF-UHFFFAOYSA-N 1 0 414.450 -0.029 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000807816955 1070710668 /nfs/dbraw/zinc/71/06/68/1070710668.db2.gz QCYWPAFGJHWKOC-UHFFFAOYSA-N 1 0 403.405 -0.158 20 0 HBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000807819490 1070710635 /nfs/dbraw/zinc/71/06/35/1070710635.db2.gz ZNXQBWKHVQMKCJ-UHFFFAOYSA-N 1 0 407.471 -0.755 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000807855635 1070711254 /nfs/dbraw/zinc/71/12/54/1070711254.db2.gz KERIQKIQTCLGIL-UHFFFAOYSA-N 1 0 403.545 -0.112 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000807918246 1070713991 /nfs/dbraw/zinc/71/39/91/1070713991.db2.gz KAYSVBZFDOZVQJ-KRWDZBQOSA-N 1 0 411.524 -0.238 20 0 HBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000807918249 1070714037 /nfs/dbraw/zinc/71/40/37/1070714037.db2.gz KAYSVBZFDOZVQJ-QGZVFWFLSA-N 1 0 411.524 -0.238 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000807920898 1070714091 /nfs/dbraw/zinc/71/40/91/1070714091.db2.gz YVZNIYWPEPLHOQ-GOSISDBHSA-N 1 0 423.535 -0.095 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000807920902 1070714146 /nfs/dbraw/zinc/71/41/46/1070714146.db2.gz YVZNIYWPEPLHOQ-SFHVURJKSA-N 1 0 423.535 -0.095 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)C[C@H]1COCC2 ZINC000807930825 1070714435 /nfs/dbraw/zinc/71/44/35/1070714435.db2.gz WAQFBQHPWICQBQ-GQIGUUNPSA-N 1 0 411.499 -0.358 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)C[C@H]1COCC2 ZINC000807930831 1070714510 /nfs/dbraw/zinc/71/45/10/1070714510.db2.gz WAQFBQHPWICQBQ-TWOQFEAHSA-N 1 0 411.499 -0.358 20 0 HBADRO Cn1nccc1CCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000808020862 1070717574 /nfs/dbraw/zinc/71/75/74/1070717574.db2.gz QBLWNFQTSTWRMO-UHFFFAOYSA-N 1 0 406.531 -0.178 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000808079498 1070719336 /nfs/dbraw/zinc/71/93/36/1070719336.db2.gz HYRKZUMWBONNRV-KBPBESRZSA-N 1 0 400.501 -0.885 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000808079499 1070719801 /nfs/dbraw/zinc/71/98/01/1070719801.db2.gz HYRKZUMWBONNRV-KGLIPLIRSA-N 1 0 400.501 -0.885 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000808079500 1070719749 /nfs/dbraw/zinc/71/97/49/1070719749.db2.gz HYRKZUMWBONNRV-UONOGXRCSA-N 1 0 400.501 -0.885 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000808079501 1070719973 /nfs/dbraw/zinc/71/99/73/1070719973.db2.gz HYRKZUMWBONNRV-ZIAGYGMSSA-N 1 0 400.501 -0.885 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000808120421 1070721098 /nfs/dbraw/zinc/72/10/98/1070721098.db2.gz PUDKSBNLTIAKPO-BQYQJAHWSA-N 1 0 405.499 -0.454 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000808120422 1070720993 /nfs/dbraw/zinc/72/09/93/1070720993.db2.gz PUDKSBNLTIAKPO-FPLPWBNLSA-N 1 0 405.499 -0.454 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)C1=O ZINC000808137277 1070722253 /nfs/dbraw/zinc/72/22/53/1070722253.db2.gz RKBBWUKCJKYTEY-MSOLQXFVSA-N 1 0 412.494 -0.082 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)C1=O ZINC000808137279 1070722124 /nfs/dbraw/zinc/72/21/24/1070722124.db2.gz RKBBWUKCJKYTEY-QZTJIDSGSA-N 1 0 412.494 -0.082 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)C1=O ZINC000808137281 1070722317 /nfs/dbraw/zinc/72/23/17/1070722317.db2.gz RKBBWUKCJKYTEY-ROUUACIJSA-N 1 0 412.494 -0.082 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)C1=O ZINC000808137283 1070722218 /nfs/dbraw/zinc/72/22/18/1070722218.db2.gz RKBBWUKCJKYTEY-ZWKOTPCHSA-N 1 0 412.494 -0.082 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2=O)cc1 ZINC000808146783 1070722704 /nfs/dbraw/zinc/72/27/04/1070722704.db2.gz XQGDPPUHFYFTDE-RBZFPXEDSA-N 1 0 417.466 -0.097 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2=O)cc1 ZINC000808146784 1070722794 /nfs/dbraw/zinc/72/27/94/1070722794.db2.gz XQGDPPUHFYFTDE-RNODOKPDSA-N 1 0 417.466 -0.097 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2=O)cc1 ZINC000808146785 1070722943 /nfs/dbraw/zinc/72/29/43/1070722943.db2.gz XQGDPPUHFYFTDE-XCLFUZPHSA-N 1 0 417.466 -0.097 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2=O)cc1 ZINC000808146786 1070723022 /nfs/dbraw/zinc/72/30/22/1070723022.db2.gz XQGDPPUHFYFTDE-ZUOKHONESA-N 1 0 417.466 -0.097 20 0 HBADRO CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000808161518 1070724033 /nfs/dbraw/zinc/72/40/33/1070724033.db2.gz VTIJTGMQOOHTSJ-FQEVSTJZSA-N 1 0 423.514 -0.162 20 0 HBADRO CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000808161519 1070724200 /nfs/dbraw/zinc/72/42/00/1070724200.db2.gz VTIJTGMQOOHTSJ-HXUWFJFHSA-N 1 0 423.514 -0.162 20 0 HBADRO CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC000808172610 1070725335 /nfs/dbraw/zinc/72/53/35/1070725335.db2.gz WLUCBMCJHJAUFY-IBGZPJMESA-N 1 0 411.503 -0.306 20 0 HBADRO CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC000808172611 1070725211 /nfs/dbraw/zinc/72/52/11/1070725211.db2.gz WLUCBMCJHJAUFY-LJQANCHMSA-N 1 0 411.503 -0.306 20 0 HBADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000808220565 1070725709 /nfs/dbraw/zinc/72/57/09/1070725709.db2.gz JIIHXSZDXLBTST-CYBMUJFWSA-N 1 0 403.526 -0.045 20 0 HBADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000808220566 1070725815 /nfs/dbraw/zinc/72/58/15/1070725815.db2.gz JIIHXSZDXLBTST-ZDUSSCGKSA-N 1 0 403.526 -0.045 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC000808220955 1070725786 /nfs/dbraw/zinc/72/57/86/1070725786.db2.gz BWHQGVJYMANUNK-AWEZNQCLSA-N 1 0 412.512 -0.643 20 0 HBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000808220957 1070725889 /nfs/dbraw/zinc/72/58/89/1070725889.db2.gz BWHQGVJYMANUNK-CQSZACIVSA-N 1 0 412.512 -0.643 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2=O)c1 ZINC000808222008 1070725867 /nfs/dbraw/zinc/72/58/67/1070725867.db2.gz UNXFYRAYNZATHX-KBPBESRZSA-N 1 0 410.496 -0.740 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2=O)c1 ZINC000808222015 1070725960 /nfs/dbraw/zinc/72/59/60/1070725960.db2.gz UNXFYRAYNZATHX-KGLIPLIRSA-N 1 0 410.496 -0.740 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2=O)c1 ZINC000808222020 1070725932 /nfs/dbraw/zinc/72/59/32/1070725932.db2.gz UNXFYRAYNZATHX-UONOGXRCSA-N 1 0 410.496 -0.740 20 0 HBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2=O)c1 ZINC000808222022 1070725739 /nfs/dbraw/zinc/72/57/39/1070725739.db2.gz UNXFYRAYNZATHX-ZIAGYGMSSA-N 1 0 410.496 -0.740 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](CNS(=O)(=O)C3CC3)C1)C2=O ZINC000808226092 1070726283 /nfs/dbraw/zinc/72/62/83/1070726283.db2.gz GPFFIGNUSKBAIK-AWEZNQCLSA-N 1 0 413.544 -0.246 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H](CNS(=O)(=O)C3CC3)C1)C2=O ZINC000808226093 1070726555 /nfs/dbraw/zinc/72/65/55/1070726555.db2.gz GPFFIGNUSKBAIK-CQSZACIVSA-N 1 0 413.544 -0.246 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1=O ZINC000808269029 1070728290 /nfs/dbraw/zinc/72/82/90/1070728290.db2.gz DWICFTIELXBUDI-GFCCVEGCSA-N 1 0 416.475 -0.618 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1=O ZINC000808269030 1070728236 /nfs/dbraw/zinc/72/82/36/1070728236.db2.gz DWICFTIELXBUDI-LBPRGKRZSA-N 1 0 416.475 -0.618 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000808270761 1070728348 /nfs/dbraw/zinc/72/83/48/1070728348.db2.gz ZBDHYIGAEVURNC-KBPBESRZSA-N 1 0 407.558 -0.798 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000808270763 1070728087 /nfs/dbraw/zinc/72/80/87/1070728087.db2.gz ZBDHYIGAEVURNC-KGLIPLIRSA-N 1 0 407.558 -0.798 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000808270766 1070728189 /nfs/dbraw/zinc/72/81/89/1070728189.db2.gz ZBDHYIGAEVURNC-UONOGXRCSA-N 1 0 407.558 -0.798 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000808270767 1070728020 /nfs/dbraw/zinc/72/80/20/1070728020.db2.gz ZBDHYIGAEVURNC-ZIAGYGMSSA-N 1 0 407.558 -0.798 20 0 HBADRO CCOC(=O)N1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000808338867 1070729805 /nfs/dbraw/zinc/72/98/05/1070729805.db2.gz XNETUMCRMYHVGJ-UHFFFAOYSA-N 1 0 407.471 -0.061 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]1COCC2 ZINC000808342471 1070728874 /nfs/dbraw/zinc/72/88/74/1070728874.db2.gz WBPSXYGJETVGPC-CTRXZIQJSA-N 1 0 423.510 -0.482 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C[C@H]1COCC2 ZINC000808342473 1070729458 /nfs/dbraw/zinc/72/94/58/1070729458.db2.gz WBPSXYGJETVGPC-JKXYVKTPSA-N 1 0 423.510 -0.482 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C[C@H]1COCC2 ZINC000808342475 1070729306 /nfs/dbraw/zinc/72/93/06/1070729306.db2.gz WBPSXYGJETVGPC-WFNJMBFTSA-N 1 0 423.510 -0.482 20 0 HBADRO COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]1COCC2 ZINC000808342477 1070729336 /nfs/dbraw/zinc/72/93/36/1070729336.db2.gz WBPSXYGJETVGPC-YHXHNGJMSA-N 1 0 423.510 -0.482 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000808346853 1070729399 /nfs/dbraw/zinc/72/93/99/1070729399.db2.gz QWZQEQGDJMWPRC-DLBZAZTESA-N 1 0 415.556 -0.094 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000808346854 1070729320 /nfs/dbraw/zinc/72/93/20/1070729320.db2.gz QWZQEQGDJMWPRC-IAGOWNOFSA-N 1 0 415.556 -0.094 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000808346855 1070729229 /nfs/dbraw/zinc/72/92/29/1070729229.db2.gz QWZQEQGDJMWPRC-IRXDYDNUSA-N 1 0 415.556 -0.094 20 0 HBADRO CS(=O)(=O)CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000808346856 1070729245 /nfs/dbraw/zinc/72/92/45/1070729245.db2.gz QWZQEQGDJMWPRC-SJORKVTESA-N 1 0 415.556 -0.094 20 0 HBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1=O ZINC000808542722 1070732542 /nfs/dbraw/zinc/73/25/42/1070732542.db2.gz RPQMONSYTCATRW-JYJNAYRXSA-N 1 0 416.478 -0.104 20 0 HBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1=O ZINC000808542723 1070732753 /nfs/dbraw/zinc/73/27/53/1070732753.db2.gz RPQMONSYTCATRW-OAGGEKHMSA-N 1 0 416.478 -0.104 20 0 HBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1=O ZINC000808542724 1070732668 /nfs/dbraw/zinc/73/26/68/1070732668.db2.gz RPQMONSYTCATRW-PMPSAXMXSA-N 1 0 416.478 -0.104 20 0 HBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1=O ZINC000808542725 1070732586 /nfs/dbraw/zinc/73/25/86/1070732586.db2.gz RPQMONSYTCATRW-XHSDSOJGSA-N 1 0 416.478 -0.104 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000808900685 1070739272 /nfs/dbraw/zinc/73/92/72/1070739272.db2.gz VGLYWYMDIGMCDM-KRWDZBQOSA-N 1 0 411.524 -0.103 20 0 HBADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000808900686 1070739093 /nfs/dbraw/zinc/73/90/93/1070739093.db2.gz VGLYWYMDIGMCDM-QGZVFWFLSA-N 1 0 411.524 -0.103 20 0 HBADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000808901925 1070739020 /nfs/dbraw/zinc/73/90/20/1070739020.db2.gz GSXASRHMSDTKEL-AWEZNQCLSA-N 1 0 409.531 -0.582 20 0 HBADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000808901928 1070739068 /nfs/dbraw/zinc/73/90/68/1070739068.db2.gz GSXASRHMSDTKEL-CQSZACIVSA-N 1 0 409.531 -0.582 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 ZINC000808902200 1070739203 /nfs/dbraw/zinc/73/92/03/1070739203.db2.gz QXHHRYFOGNHDOD-UHFFFAOYSA-N 1 0 410.515 -0.295 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000808952191 1070739828 /nfs/dbraw/zinc/73/98/28/1070739828.db2.gz JNYVWKPUTVAZKT-KBXCAEBGSA-N 1 0 416.482 -0.262 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000808952197 1070740411 /nfs/dbraw/zinc/74/04/11/1070740411.db2.gz JNYVWKPUTVAZKT-KDOFPFPSSA-N 1 0 416.482 -0.262 20 0 HBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000808952198 1070740233 /nfs/dbraw/zinc/74/02/33/1070740233.db2.gz JNYVWKPUTVAZKT-KSSFIOAISA-N 1 0 416.482 -0.262 20 0 HBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000808952199 1070740379 /nfs/dbraw/zinc/74/03/79/1070740379.db2.gz JNYVWKPUTVAZKT-RDTXWAMCSA-N 1 0 416.482 -0.262 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000808956475 1070741401 /nfs/dbraw/zinc/74/14/01/1070741401.db2.gz HPYZIOSYTQDKMW-UHFFFAOYSA-N 1 0 418.542 -0.097 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000809006669 1070744398 /nfs/dbraw/zinc/74/43/98/1070744398.db2.gz HGCCIXVLRJPEDC-CLWVCHIJSA-N 1 0 404.471 -0.991 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000809006670 1070744362 /nfs/dbraw/zinc/74/43/62/1070744362.db2.gz HGCCIXVLRJPEDC-VDERGJSUSA-N 1 0 404.471 -0.991 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000809006671 1070744592 /nfs/dbraw/zinc/74/45/92/1070744592.db2.gz HGCCIXVLRJPEDC-VRKREXBASA-N 1 0 404.471 -0.991 20 0 HBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000809006672 1070744654 /nfs/dbraw/zinc/74/46/54/1070744654.db2.gz HGCCIXVLRJPEDC-XOUADPBQSA-N 1 0 404.471 -0.991 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000809191502 1070747448 /nfs/dbraw/zinc/74/74/48/1070747448.db2.gz YSPNZPMANKXIBI-AWEZNQCLSA-N 1 0 401.533 -0.848 20 0 HBADRO CN(C)CC[N@H+](C)CCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000809191503 1070748055 /nfs/dbraw/zinc/74/80/55/1070748055.db2.gz YSPNZPMANKXIBI-CQSZACIVSA-N 1 0 401.533 -0.848 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000809192996 1070748172 /nfs/dbraw/zinc/74/81/72/1070748172.db2.gz IDTWKHMDKYKJSL-HNNXBMFYSA-N 1 0 415.560 -0.506 20 0 HBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000809193000 1070748314 /nfs/dbraw/zinc/74/83/14/1070748314.db2.gz IDTWKHMDKYKJSL-OAHLLOKOSA-N 1 0 415.560 -0.506 20 0 HBADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000809430742 1070754056 /nfs/dbraw/zinc/75/40/56/1070754056.db2.gz HSNGNDFJCBAVEY-UHFFFAOYSA-N 1 0 410.540 -0.373 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)C2=O)cc1 ZINC000809562308 1070758956 /nfs/dbraw/zinc/75/89/56/1070758956.db2.gz FMFOXPWVGXPHNZ-MOPGFXCFSA-N 1 0 405.455 -0.017 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)C2=O)cc1 ZINC000809562310 1070759064 /nfs/dbraw/zinc/75/90/64/1070759064.db2.gz FMFOXPWVGXPHNZ-OALUTQOASA-N 1 0 405.455 -0.017 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)C2=O)cc1 ZINC000809562313 1070759025 /nfs/dbraw/zinc/75/90/25/1070759025.db2.gz FMFOXPWVGXPHNZ-RBUKOAKNSA-N 1 0 405.455 -0.017 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)C2=O)cc1 ZINC000809562315 1070758922 /nfs/dbraw/zinc/75/89/22/1070758922.db2.gz FMFOXPWVGXPHNZ-RTBURBONSA-N 1 0 405.455 -0.017 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000809593029 1070761132 /nfs/dbraw/zinc/76/11/32/1070761132.db2.gz MMWPLLVXZJRJOE-DYESRHJHSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000809593030 1070761155 /nfs/dbraw/zinc/76/11/55/1070761155.db2.gz MMWPLLVXZJRJOE-LAUBAEHRSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000809593031 1070761257 /nfs/dbraw/zinc/76/12/57/1070761257.db2.gz MMWPLLVXZJRJOE-UTKZUKDTSA-N 1 0 402.495 -0.012 20 0 HBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000809593032 1070761193 /nfs/dbraw/zinc/76/11/93/1070761193.db2.gz MMWPLLVXZJRJOE-UWJYYQICSA-N 1 0 402.495 -0.012 20 0 HBADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000809593034 1070761019 /nfs/dbraw/zinc/76/10/19/1070761019.db2.gz MQHTUILMFLYGDP-APWZRJJASA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000809593035 1070761234 /nfs/dbraw/zinc/76/12/34/1070761234.db2.gz MQHTUILMFLYGDP-LPHOPBHVSA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@]1(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000809593036 1070761300 /nfs/dbraw/zinc/76/13/00/1070761300.db2.gz MQHTUILMFLYGDP-QFBILLFUSA-N 1 0 408.524 -0.096 20 0 HBADRO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000809593037 1070761094 /nfs/dbraw/zinc/76/10/94/1070761094.db2.gz MQHTUILMFLYGDP-VQIMIIECSA-N 1 0 408.524 -0.096 20 0 HBADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000809962425 1070768900 /nfs/dbraw/zinc/76/89/00/1070768900.db2.gz FHCKCOLMHVCHIW-CKEIUWERSA-N 1 0 407.533 -0.651 20 0 HBADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000809962426 1070769061 /nfs/dbraw/zinc/76/90/61/1070769061.db2.gz FHCKCOLMHVCHIW-GRDNDAEWSA-N 1 0 407.533 -0.651 20 0 HBADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000809962427 1070769207 /nfs/dbraw/zinc/76/92/07/1070769207.db2.gz FHCKCOLMHVCHIW-JJRVBVJISA-N 1 0 407.533 -0.651 20 0 HBADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000809962428 1070768928 /nfs/dbraw/zinc/76/89/28/1070768928.db2.gz FHCKCOLMHVCHIW-JKIFEVAISA-N 1 0 407.533 -0.651 20 0 HBADRO CC(C)(C)OC(=O)NCCOCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000809962574 1070768512 /nfs/dbraw/zinc/76/85/12/1070768512.db2.gz HWNAJUGMQLRSRG-CABCVRRESA-N 1 0 407.533 -0.385 20 0 HBADRO CC(C)(C)OC(=O)NCCOCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000809962575 1070768272 /nfs/dbraw/zinc/76/82/72/1070768272.db2.gz HWNAJUGMQLRSRG-GJZGRUSLSA-N 1 0 407.533 -0.385 20 0 HBADRO CC(C)(C)OC(=O)NCCOCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000809962576 1070768430 /nfs/dbraw/zinc/76/84/30/1070768430.db2.gz HWNAJUGMQLRSRG-HUUCEWRRSA-N 1 0 407.533 -0.385 20 0 HBADRO CC(C)(C)OC(=O)NCCOCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000809962577 1070768980 /nfs/dbraw/zinc/76/89/80/1070768980.db2.gz HWNAJUGMQLRSRG-LSDHHAIUSA-N 1 0 407.533 -0.385 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000810058138 1070771984 /nfs/dbraw/zinc/77/19/84/1070771984.db2.gz KZLQMSHOPJLDAW-KRWDZBQOSA-N 1 0 406.524 -0.080 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000810058139 1070771760 /nfs/dbraw/zinc/77/17/60/1070771760.db2.gz KZLQMSHOPJLDAW-QGZVFWFLSA-N 1 0 406.524 -0.080 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066532 1070774598 /nfs/dbraw/zinc/77/45/98/1070774598.db2.gz MMGDTBUZUPJGOD-AWEZNQCLSA-N 1 0 421.464 -0.391 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066533 1070774448 /nfs/dbraw/zinc/77/44/48/1070774448.db2.gz MMGDTBUZUPJGOD-CQSZACIVSA-N 1 0 421.464 -0.391 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000810070247 1070773152 /nfs/dbraw/zinc/77/31/52/1070773152.db2.gz NXEFYSILEBCKKQ-LLVKDONJSA-N 1 0 416.404 -0.176 20 0 HBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000810070248 1070773051 /nfs/dbraw/zinc/77/30/51/1070773051.db2.gz NXEFYSILEBCKKQ-NSHDSACASA-N 1 0 416.404 -0.176 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)S(C)(=O)=O ZINC000810071651 1070773269 /nfs/dbraw/zinc/77/32/69/1070773269.db2.gz JXPAJZSDJJFDSC-GFCCVEGCSA-N 1 0 416.466 -0.225 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)S(C)(=O)=O ZINC000810071652 1070773347 /nfs/dbraw/zinc/77/33/47/1070773347.db2.gz JXPAJZSDJJFDSC-LBPRGKRZSA-N 1 0 416.466 -0.225 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC000810093020 1070776305 /nfs/dbraw/zinc/77/63/05/1070776305.db2.gz KJMUVLSQDQMWKU-GOSISDBHSA-N 1 0 419.567 -0.165 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC000810093024 1070776191 /nfs/dbraw/zinc/77/61/91/1070776191.db2.gz KJMUVLSQDQMWKU-SFHVURJKSA-N 1 0 419.567 -0.165 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)CCC2 ZINC000810225048 1070777555 /nfs/dbraw/zinc/77/75/55/1070777555.db2.gz RGOPJYROHSRFLD-INIZCTEOSA-N 1 0 403.526 -0.037 20 0 HBADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)CCC2 ZINC000810225049 1070777441 /nfs/dbraw/zinc/77/74/41/1070777441.db2.gz RGOPJYROHSRFLD-MRXNPFEDSA-N 1 0 403.526 -0.037 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000810269394 1070777592 /nfs/dbraw/zinc/77/75/92/1070777592.db2.gz GMPAUKKNUBWGMI-KBPBESRZSA-N 1 0 413.496 -0.039 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000810269395 1070777379 /nfs/dbraw/zinc/77/73/79/1070777379.db2.gz GMPAUKKNUBWGMI-KGLIPLIRSA-N 1 0 413.496 -0.039 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000810269396 1070777487 /nfs/dbraw/zinc/77/74/87/1070777487.db2.gz GMPAUKKNUBWGMI-UONOGXRCSA-N 1 0 413.496 -0.039 20 0 HBADRO COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000810269397 1070777708 /nfs/dbraw/zinc/77/77/08/1070777708.db2.gz GMPAUKKNUBWGMI-ZIAGYGMSSA-N 1 0 413.496 -0.039 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000810270185 1070777568 /nfs/dbraw/zinc/77/75/68/1070777568.db2.gz RFZPMFFCMKLYBJ-CVEARBPZSA-N 1 0 410.496 -0.097 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000810270186 1070777664 /nfs/dbraw/zinc/77/76/64/1070777664.db2.gz RFZPMFFCMKLYBJ-HOTGVXAUSA-N 1 0 410.496 -0.097 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000810270187 1070777531 /nfs/dbraw/zinc/77/75/31/1070777531.db2.gz RFZPMFFCMKLYBJ-HZPDHXFCSA-N 1 0 410.496 -0.097 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000810270188 1070777636 /nfs/dbraw/zinc/77/76/36/1070777636.db2.gz RFZPMFFCMKLYBJ-JKSUJKDBSA-N 1 0 410.496 -0.097 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC000810495157 1070783272 /nfs/dbraw/zinc/78/32/72/1070783272.db2.gz HDNYPISDPXLRKH-UHFFFAOYSA-N 1 0 411.528 -0.225 20 0 HBADRO CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000810495792 1070783913 /nfs/dbraw/zinc/78/39/13/1070783913.db2.gz PDEFOANIUVUDSA-UHFFFAOYSA-N 1 0 411.528 -0.225 20 0 HBADRO Cn1c2ncn(CC(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)c2c(=O)n(C)c1=O ZINC000810760937 1070790825 /nfs/dbraw/zinc/79/08/25/1070790825.db2.gz GNCWSZRBKKMRSV-LLVKDONJSA-N 1 0 414.426 -0.982 20 0 HBADRO Cn1c2ncn(CC(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)c2c(=O)n(C)c1=O ZINC000810760938 1070790634 /nfs/dbraw/zinc/79/06/34/1070790634.db2.gz GNCWSZRBKKMRSV-NSHDSACASA-N 1 0 414.426 -0.982 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cn1C ZINC000810762058 1070790668 /nfs/dbraw/zinc/79/06/68/1070790668.db2.gz XJHVGFHHGQLHLO-CYBMUJFWSA-N 1 0 423.499 -0.019 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cn1C ZINC000810762059 1070790986 /nfs/dbraw/zinc/79/09/86/1070790986.db2.gz XJHVGFHHGQLHLO-ZDUSSCGKSA-N 1 0 423.499 -0.019 20 0 HBADRO Cn1c2ncc(C(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)cc2c(=O)n(C)c1=O ZINC000810764505 1070790698 /nfs/dbraw/zinc/79/06/98/1070790698.db2.gz JYMMJSDAUDOWEE-GFCCVEGCSA-N 1 0 411.422 -0.170 20 0 HBADRO Cn1c2ncc(C(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)cc2c(=O)n(C)c1=O ZINC000810764508 1070790607 /nfs/dbraw/zinc/79/06/07/1070790607.db2.gz JYMMJSDAUDOWEE-LBPRGKRZSA-N 1 0 411.422 -0.170 20 0 HBADRO Cn1c2nc(C(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)ccc2c(=O)n(C)c1=O ZINC000810766703 1070790923 /nfs/dbraw/zinc/79/09/23/1070790923.db2.gz NGGKFDCHFRIEFD-LLVKDONJSA-N 1 0 411.422 -0.170 20 0 HBADRO Cn1c2nc(C(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)ccc2c(=O)n(C)c1=O ZINC000810766704 1070790764 /nfs/dbraw/zinc/79/07/64/1070790764.db2.gz NGGKFDCHFRIEFD-NSHDSACASA-N 1 0 411.422 -0.170 20 0 HBADRO Nc1nc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)cc[nH+]1 ZINC000810766830 1070790967 /nfs/dbraw/zinc/79/09/67/1070790967.db2.gz OYMOWMQSGVZRRU-IHRRRGAJSA-N 1 0 423.495 -0.394 20 0 HBADRO Nc1nc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)cc[nH+]1 ZINC000810766833 1070790857 /nfs/dbraw/zinc/79/08/57/1070790857.db2.gz OYMOWMQSGVZRRU-MCIONIFRSA-N 1 0 423.495 -0.394 20 0 HBADRO Nc1nc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)cc[nH+]1 ZINC000810766834 1070791380 /nfs/dbraw/zinc/79/13/80/1070791380.db2.gz OYMOWMQSGVZRRU-MJBXVCDLSA-N 1 0 423.495 -0.394 20 0 HBADRO Nc1nc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)cc[nH+]1 ZINC000810766836 1070791416 /nfs/dbraw/zinc/79/14/16/1070791416.db2.gz OYMOWMQSGVZRRU-RDBSUJKOSA-N 1 0 423.495 -0.394 20 0 HBADRO Cn1c(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000810767392 1070790896 /nfs/dbraw/zinc/79/08/96/1070790896.db2.gz VQFDHYDUSXPKKB-LLVKDONJSA-N 1 0 413.438 -0.226 20 0 HBADRO Cn1c(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000810767399 1070790490 /nfs/dbraw/zinc/79/04/90/1070790490.db2.gz VQFDHYDUSXPKKB-NSHDSACASA-N 1 0 413.438 -0.226 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810767415 1070790531 /nfs/dbraw/zinc/79/05/31/1070790531.db2.gz TZHAITINWJCDFK-NEPJUHHUSA-N 1 0 409.472 -0.329 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810767426 1070790798 /nfs/dbraw/zinc/79/07/98/1070790798.db2.gz TZHAITINWJCDFK-NWDGAFQWSA-N 1 0 409.472 -0.329 20 0 HBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810767427 1070790563 /nfs/dbraw/zinc/79/05/63/1070790563.db2.gz TZHAITINWJCDFK-RYUDHWBXSA-N 1 0 409.472 -0.329 20 0 HBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810767428 1070791011 /nfs/dbraw/zinc/79/10/11/1070791011.db2.gz TZHAITINWJCDFK-VXGBXAGGSA-N 1 0 409.472 -0.329 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)O[C@@H]1CCCN(c3cc[nH+]c(N)n3)C1)c(=O)n2C ZINC000810771031 1070791551 /nfs/dbraw/zinc/79/15/51/1070791551.db2.gz RIHGVZPFCGWREW-LLVKDONJSA-N 1 0 414.426 -0.982 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)O[C@H]1CCCN(c3cc[nH+]c(N)n3)C1)c(=O)n2C ZINC000810771032 1070791477 /nfs/dbraw/zinc/79/14/77/1070791477.db2.gz RIHGVZPFCGWREW-NSHDSACASA-N 1 0 414.426 -0.982 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000811443809 1070809173 /nfs/dbraw/zinc/80/91/73/1070809173.db2.gz BPARJBUVIGRGBT-IBGZPJMESA-N 1 0 400.495 -0.026 20 0 HBADRO CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000811443810 1070809054 /nfs/dbraw/zinc/80/90/54/1070809054.db2.gz BPARJBUVIGRGBT-LJQANCHMSA-N 1 0 400.495 -0.026 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000811447296 1070810279 /nfs/dbraw/zinc/81/02/79/1070810279.db2.gz JLYJVCHZVAWYLZ-BDJLRTHQSA-N 1 0 407.464 -0.245 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000811447302 1070810373 /nfs/dbraw/zinc/81/03/73/1070810373.db2.gz JLYJVCHZVAWYLZ-BZNIZROVSA-N 1 0 407.464 -0.245 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000811447303 1070809742 /nfs/dbraw/zinc/80/97/42/1070809742.db2.gz JLYJVCHZVAWYLZ-MEDUHNTESA-N 1 0 407.464 -0.245 20 0 HBADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000811447305 1070810113 /nfs/dbraw/zinc/81/01/13/1070810113.db2.gz JLYJVCHZVAWYLZ-ZBEGNZNMSA-N 1 0 407.464 -0.245 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c(Br)nnn1C ZINC000811490908 1070809832 /nfs/dbraw/zinc/80/98/32/1070809832.db2.gz VQHADXPWUPABQT-UHFFFAOYSA-N 1 0 403.281 -0.560 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)N[C@@](C)(CCC(=O)OC)C2=O)CC1 ZINC000811743839 1070814171 /nfs/dbraw/zinc/81/41/71/1070814171.db2.gz WBYUVOXTBKJWQB-IBGZPJMESA-N 1 0 411.503 -0.306 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)N[C@](C)(CCC(=O)OC)C2=O)CC1 ZINC000811743840 1070813911 /nfs/dbraw/zinc/81/39/11/1070813911.db2.gz WBYUVOXTBKJWQB-LJQANCHMSA-N 1 0 411.503 -0.306 20 0 HBADRO COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000811749287 1070814014 /nfs/dbraw/zinc/81/40/14/1070814014.db2.gz HMJHICVTMKBMKI-IBGZPJMESA-N 1 0 409.487 -0.552 20 0 HBADRO COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000811749288 1070813757 /nfs/dbraw/zinc/81/37/57/1070813757.db2.gz HMJHICVTMKBMKI-LJQANCHMSA-N 1 0 409.487 -0.552 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000811789719 1070818671 /nfs/dbraw/zinc/81/86/71/1070818671.db2.gz BWMPTDIMOPEKLG-KRWDZBQOSA-N 1 0 401.533 -0.325 20 0 HBADRO CN(C)S(=O)(=O)N1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000811789720 1070819024 /nfs/dbraw/zinc/81/90/24/1070819024.db2.gz BWMPTDIMOPEKLG-QGZVFWFLSA-N 1 0 401.533 -0.325 20 0 HBADRO COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000812082255 1070822865 /nfs/dbraw/zinc/82/28/65/1070822865.db2.gz IJSMCWFUPNRPIF-HNNXBMFYSA-N 1 0 407.519 -0.195 20 0 HBADRO COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000812082256 1070823090 /nfs/dbraw/zinc/82/30/90/1070823090.db2.gz IJSMCWFUPNRPIF-OAHLLOKOSA-N 1 0 407.519 -0.195 20 0 HBADRO COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000812147594 1070823939 /nfs/dbraw/zinc/82/39/39/1070823939.db2.gz XAHZESPNHAKPFT-INIZCTEOSA-N 1 0 419.530 -0.097 20 0 HBADRO COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000812147596 1070824214 /nfs/dbraw/zinc/82/42/14/1070824214.db2.gz XAHZESPNHAKPFT-MRXNPFEDSA-N 1 0 419.530 -0.097 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](CCCN2C(=O)CS/C2=C/C(=O)OC)CC1 ZINC000812840827 1070839683 /nfs/dbraw/zinc/83/96/83/1070839683.db2.gz KDHJYJYEAGFEND-GXDHUFHOSA-N 1 0 406.530 -0.516 20 0 HBADRO CNS(=O)(=O)NC1CC[NH+](CCCN2C(=O)CS/C2=C\C(=O)OC)CC1 ZINC000812840828 1070839356 /nfs/dbraw/zinc/83/93/56/1070839356.db2.gz KDHJYJYEAGFEND-UVTDQMKNSA-N 1 0 406.530 -0.516 20 0 HBADRO CON(C)C(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000812869983 1070840647 /nfs/dbraw/zinc/84/06/47/1070840647.db2.gz RWXMEIMCPGFUNY-UHFFFAOYSA-N 1 0 411.547 -0.223 20 0 HBADRO CON(C)C(=O)C1CCN(CC(O)C[NH+]2CCC(C(=O)N(C)OC)CC2)CC1 ZINC000812871280 1070840206 /nfs/dbraw/zinc/84/02/06/1070840206.db2.gz GZZHDDXWIRWRPR-UHFFFAOYSA-N 1 0 400.520 -0.189 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812967436 1070842963 /nfs/dbraw/zinc/84/29/63/1070842963.db2.gz YJDDGPRBBPEBIO-MSOLQXFVSA-N 1 0 415.494 -0.464 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812967438 1070843149 /nfs/dbraw/zinc/84/31/49/1070843149.db2.gz YJDDGPRBBPEBIO-QZTJIDSGSA-N 1 0 415.494 -0.464 20 0 HBADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812967439 1070843604 /nfs/dbraw/zinc/84/36/04/1070843604.db2.gz YJDDGPRBBPEBIO-ROUUACIJSA-N 1 0 415.494 -0.464 20 0 HBADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812967440 1070843402 /nfs/dbraw/zinc/84/34/02/1070843402.db2.gz YJDDGPRBBPEBIO-ZWKOTPCHSA-N 1 0 415.494 -0.464 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000814281882 1070879755 /nfs/dbraw/zinc/87/97/55/1070879755.db2.gz WDEMGQAVLYDZGC-UHFFFAOYSA-N 1 0 419.548 -0.413 20 0 HBADRO O=C(CNS(=O)(=O)N1CCC2(CC1)OCCO2)NCC[NH+]1CCCCCC1 ZINC000814281993 1070879607 /nfs/dbraw/zinc/87/96/07/1070879607.db2.gz XPSRDVFQGPRXMT-UHFFFAOYSA-N 1 0 404.533 -0.348 20 0 HBADRO COC(=O)[C@H](F)C(NC[C@H]1C[N@H+](CC(C)C)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814335136 1070881362 /nfs/dbraw/zinc/88/13/62/1070881362.db2.gz SPVQPIOUYWALNE-CMPLNLGQSA-N 1 0 416.475 -0.771 20 0 HBADRO COC(=O)[C@@H](F)C(NC[C@H]1C[N@H+](CC(C)C)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814335138 1070881320 /nfs/dbraw/zinc/88/13/20/1070881320.db2.gz SPVQPIOUYWALNE-JQWIXIFHSA-N 1 0 416.475 -0.771 20 0 HBADRO COC(=O)[C@@H](F)C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814335140 1070880980 /nfs/dbraw/zinc/88/09/80/1070880980.db2.gz SPVQPIOUYWALNE-PWSUYJOCSA-N 1 0 416.475 -0.771 20 0 HBADRO COC(=O)[C@H](F)C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814335142 1070881136 /nfs/dbraw/zinc/88/11/36/1070881136.db2.gz SPVQPIOUYWALNE-ZYHUDNBSSA-N 1 0 416.475 -0.771 20 0 HBADRO COC(=O)[C@H](F)C(NCCC[NH+]1CCC(C)CC1)=C1C(=O)NC(=S)NC1=O ZINC000814399249 1070884519 /nfs/dbraw/zinc/88/45/19/1070884519.db2.gz SJJJJNBVZURCCK-GFCCVEGCSA-N 1 0 400.476 -0.006 20 0 HBADRO COC(=O)[C@@H](F)C(NCCC[NH+]1CCC(C)CC1)=C1C(=O)NC(=S)NC1=O ZINC000814399265 1070884705 /nfs/dbraw/zinc/88/47/05/1070884705.db2.gz SJJJJNBVZURCCK-LBPRGKRZSA-N 1 0 400.476 -0.006 20 0 HBADRO Cc1c(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nnn1-c1ccn(C)n1 ZINC000814575301 1070888450 /nfs/dbraw/zinc/88/84/50/1070888450.db2.gz GVTCRNYJRXKLTE-HNNXBMFYSA-N 1 0 419.486 -0.061 20 0 HBADRO Cc1c(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nnn1-c1ccn(C)n1 ZINC000814575302 1070888571 /nfs/dbraw/zinc/88/85/71/1070888571.db2.gz GVTCRNYJRXKLTE-OAHLLOKOSA-N 1 0 419.486 -0.061 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000815472709 1070911967 /nfs/dbraw/zinc/91/19/67/1070911967.db2.gz LDOXNCBZZPYANV-YESZJQIVSA-N 1 0 421.494 -0.046 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000815472710 1070912025 /nfs/dbraw/zinc/91/20/25/1070912025.db2.gz LDOXNCBZZPYANV-ZACQAIPSSA-N 1 0 421.494 -0.046 20 0 HBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 ZINC000815507196 1070912698 /nfs/dbraw/zinc/91/26/98/1070912698.db2.gz YKLFFLOUUISRPG-UHFFFAOYSA-N 1 0 422.486 -0.397 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cn2)CC1 ZINC000815508936 1070913516 /nfs/dbraw/zinc/91/35/16/1070913516.db2.gz MWQXNKBSPPITIT-AWEZNQCLSA-N 1 0 404.471 -0.024 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cn2)CC1 ZINC000815508937 1070913213 /nfs/dbraw/zinc/91/32/13/1070913213.db2.gz MWQXNKBSPPITIT-CQSZACIVSA-N 1 0 404.471 -0.024 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cn2)CC1 ZINC000815546308 1070916306 /nfs/dbraw/zinc/91/63/06/1070916306.db2.gz FYUCLSKEQXJFSQ-IBGZPJMESA-N 1 0 422.486 -0.663 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cn2)CC1 ZINC000815546309 1070916445 /nfs/dbraw/zinc/91/64/45/1070916445.db2.gz FYUCLSKEQXJFSQ-LJQANCHMSA-N 1 0 422.486 -0.663 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cn2)CC1 ZINC000815563903 1070915485 /nfs/dbraw/zinc/91/54/85/1070915485.db2.gz RGQOCAKEVRHBFL-IBGZPJMESA-N 1 0 420.470 -0.909 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cn2)CC1 ZINC000815563904 1070915604 /nfs/dbraw/zinc/91/56/04/1070915604.db2.gz RGQOCAKEVRHBFL-LJQANCHMSA-N 1 0 420.470 -0.909 20 0 HBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 ZINC000815572648 1070917777 /nfs/dbraw/zinc/91/77/77/1070917777.db2.gz KAAFGOZAIVJIRF-UHFFFAOYSA-N 1 0 422.486 -0.661 20 0 HBADRO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn2)CC1 ZINC000815607974 1070919156 /nfs/dbraw/zinc/91/91/56/1070919156.db2.gz NMIBSNJRPVBXQI-UHFFFAOYSA-N 1 0 422.486 -0.397 20 0 HBADRO CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000815680936 1070920702 /nfs/dbraw/zinc/92/07/02/1070920702.db2.gz GFEKTGNZIFZRPD-HNNXBMFYSA-N 1 0 423.539 -0.131 20 0 HBADRO CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000815680937 1070920581 /nfs/dbraw/zinc/92/05/81/1070920581.db2.gz GFEKTGNZIFZRPD-OAHLLOKOSA-N 1 0 423.539 -0.131 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000815705037 1070921749 /nfs/dbraw/zinc/92/17/49/1070921749.db2.gz WLGKAWPHEMZGMP-PBHICJAKSA-N 1 0 406.508 -0.012 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000815705038 1070921952 /nfs/dbraw/zinc/92/19/52/1070921952.db2.gz WLGKAWPHEMZGMP-RHSMWYFYSA-N 1 0 406.508 -0.012 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000815705039 1070921839 /nfs/dbraw/zinc/92/18/39/1070921839.db2.gz WLGKAWPHEMZGMP-WMLDXEAASA-N 1 0 406.508 -0.012 20 0 HBADRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000815705040 1070921729 /nfs/dbraw/zinc/92/17/29/1070921729.db2.gz WLGKAWPHEMZGMP-YOEHRIQHSA-N 1 0 406.508 -0.012 20 0 HBADRO COC(=O)[C@H]1[C@@H]2CN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)C[C@@H]21 ZINC000815707656 1070922591 /nfs/dbraw/zinc/92/25/91/1070922591.db2.gz JZDCIMUYGWLMJO-VIKVFOODSA-N 1 0 416.434 -0.028 20 0 HBADRO O=C(CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)NCC[NH+]1CCCCCC1 ZINC000815774859 1070924295 /nfs/dbraw/zinc/92/42/95/1070924295.db2.gz OEQISLGTUIKVGT-UHFFFAOYSA-N 1 0 414.470 -0.291 20 0 HBADRO Cn1[nH]cc2c(=NC(=O)C(=O)NCC(=O)NCC[NH+]3CCCCCC3)ccnc1-2 ZINC000815774999 1070924074 /nfs/dbraw/zinc/92/40/74/1070924074.db2.gz TYIODETWBGALED-UHFFFAOYSA-N 1 0 401.471 -0.611 20 0 HBADRO Cn1ncc(CCCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)n1 ZINC000815819699 1070926559 /nfs/dbraw/zinc/92/65/59/1070926559.db2.gz JBWJDJMNMZPXNM-UHFFFAOYSA-N 1 0 415.454 -0.028 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)cc2)CC1 ZINC000815828613 1070925514 /nfs/dbraw/zinc/92/55/14/1070925514.db2.gz PUCOPQXCJRIGSV-UHFFFAOYSA-N 1 0 411.528 -0.048 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)C2=O)cc1 ZINC000816530378 1070948675 /nfs/dbraw/zinc/94/86/75/1070948675.db2.gz GFQCJNZYLQPBFX-HRAATJIYSA-N 1 0 415.494 -0.032 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)C2=O)cc1 ZINC000816530379 1070948514 /nfs/dbraw/zinc/94/85/14/1070948514.db2.gz GFQCJNZYLQPBFX-IERDGZPVSA-N 1 0 415.494 -0.032 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)C2=O)cc1 ZINC000816530380 1070948595 /nfs/dbraw/zinc/94/85/95/1070948595.db2.gz GFQCJNZYLQPBFX-IIBYNOLFSA-N 1 0 415.494 -0.032 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)C2=O)cc1 ZINC000816530381 1070948793 /nfs/dbraw/zinc/94/87/93/1070948793.db2.gz GFQCJNZYLQPBFX-KKSFZXQISA-N 1 0 415.494 -0.032 20 0 HBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000816596546 1070950043 /nfs/dbraw/zinc/95/00/43/1070950043.db2.gz HBGMABHGBHORMD-UHFFFAOYSA-N 1 0 423.539 -0.067 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)C1=O ZINC000816609379 1070950845 /nfs/dbraw/zinc/95/08/45/1070950845.db2.gz ZRZGMGBHVFEQRH-HNNXBMFYSA-N 1 0 407.496 -0.705 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)C1=O ZINC000816609380 1070950877 /nfs/dbraw/zinc/95/08/77/1070950877.db2.gz ZRZGMGBHVFEQRH-OAHLLOKOSA-N 1 0 407.496 -0.705 20 0 HBADRO O=C(CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCC[NH+]1CCCCCC1 ZINC000816746241 1070954241 /nfs/dbraw/zinc/95/42/41/1070954241.db2.gz OZULPRRIESLSDQ-UHFFFAOYSA-N 1 0 409.512 -0.408 20 0 HBADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000816749981 1070954899 /nfs/dbraw/zinc/95/48/99/1070954899.db2.gz FNXHEJVPXAKMHO-BMFZPTHFSA-N 1 0 412.512 -0.527 20 0 HBADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000816749982 1070954972 /nfs/dbraw/zinc/95/49/72/1070954972.db2.gz FNXHEJVPXAKMHO-FVQBIDKESA-N 1 0 412.512 -0.527 20 0 HBADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000816749983 1070955101 /nfs/dbraw/zinc/95/51/01/1070955101.db2.gz FNXHEJVPXAKMHO-IMJJTQAJSA-N 1 0 412.512 -0.527 20 0 HBADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000816749984 1070955092 /nfs/dbraw/zinc/95/50/92/1070955092.db2.gz FNXHEJVPXAKMHO-NUEKZKHPSA-N 1 0 412.512 -0.527 20 0 HBADRO CN1CC[NH+](CC2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)CC1 ZINC000816751757 1070954934 /nfs/dbraw/zinc/95/49/34/1070954934.db2.gz COWKTGZDLPIUOA-GOSISDBHSA-N 1 0 402.474 -0.049 20 0 HBADRO CN1CC[NH+](CC2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)CC1 ZINC000816751758 1070955032 /nfs/dbraw/zinc/95/50/32/1070955032.db2.gz COWKTGZDLPIUOA-SFHVURJKSA-N 1 0 402.474 -0.049 20 0 HBADRO CN1CC[NH+](CC2CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 ZINC000816752164 1070954954 /nfs/dbraw/zinc/95/49/54/1070954954.db2.gz RRZQEHUBKJUYIL-UHFFFAOYSA-N 1 0 409.531 -0.229 20 0 HBADRO O=C(CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NCC[NH+]1CCCCCC1 ZINC000817157986 1070963035 /nfs/dbraw/zinc/96/30/35/1070963035.db2.gz OXCBSVYGPDMGLN-UHFFFAOYSA-N 1 0 409.512 -0.408 20 0 HBADRO O=C(CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)NCC[NH+]1CCCCCC1 ZINC000817162867 1070962944 /nfs/dbraw/zinc/96/29/44/1070962944.db2.gz BOFZGNCRQFZMFL-UHFFFAOYSA-N 1 0 422.507 -0.061 20 0 HBADRO O=C(CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)NCC[NH+]1CCCCCC1 ZINC000817164634 1070963047 /nfs/dbraw/zinc/96/30/47/1070963047.db2.gz QIOXNBQYHVGXDW-KRWDZBQOSA-N 1 0 409.512 -0.175 20 0 HBADRO O=C(CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)NCC[NH+]1CCCCCC1 ZINC000817164638 1070962869 /nfs/dbraw/zinc/96/28/69/1070962869.db2.gz QIOXNBQYHVGXDW-QGZVFWFLSA-N 1 0 409.512 -0.175 20 0 HBADRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cn2)CC1 ZINC000817381141 1070964405 /nfs/dbraw/zinc/96/44/05/1070964405.db2.gz DDVNEXLSUSMSRU-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO COC[C@@H](C(N)=O)N(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000817930863 1070969153 /nfs/dbraw/zinc/96/91/53/1070969153.db2.gz IPPSCVZEJQCKSV-INIZCTEOSA-N 1 0 414.528 -0.203 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)[C@H]2C1 ZINC000818034459 1070970753 /nfs/dbraw/zinc/97/07/53/1070970753.db2.gz ODQUDQIOYYHMJC-CWRNSKLLSA-N 1 0 412.512 -0.527 20 0 HBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)[C@H]2C1 ZINC000818034471 1070970669 /nfs/dbraw/zinc/97/06/69/1070970669.db2.gz ODQUDQIOYYHMJC-VNQPRFMTSA-N 1 0 412.512 -0.527 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NNC(=S)NCCC[NH+](C)C)nc2)CC1 ZINC000818269213 1070972784 /nfs/dbraw/zinc/97/27/84/1070972784.db2.gz IZCBNNMOCHRNHT-UHFFFAOYSA-N 1 0 415.589 -0.240 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccc(NNC(=S)NCC[NH+](C)C)nc2)CC1 ZINC000818269259 1070973474 /nfs/dbraw/zinc/97/34/74/1070973474.db2.gz LLMIDISJJFXKIU-UHFFFAOYSA-N 1 0 401.562 -0.630 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000818290324 1070972894 /nfs/dbraw/zinc/97/28/94/1070972894.db2.gz GMLONAUDYPXNGA-UHFFFAOYSA-N 1 0 413.486 -0.541 20 0 HBADRO CC(C)(C)OC(=O)N1CCN(CCC(=O)N[C@H](CO)CN2CCOCC2)CC1 ZINC000819636679 1070986227 /nfs/dbraw/zinc/98/62/27/1070986227.db2.gz HIDUPCCZEXUZRW-INIZCTEOSA-N 1 0 400.520 -0.262 20 0 HBADRO CC(C)(C)OC(=O)N1CCN(CCC(=O)N[C@@H](CO)CN2CCOCC2)CC1 ZINC000819636680 1070986173 /nfs/dbraw/zinc/98/61/73/1070986173.db2.gz HIDUPCCZEXUZRW-MRXNPFEDSA-N 1 0 400.520 -0.262 20 0 HBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC000819805602 1070988196 /nfs/dbraw/zinc/98/81/96/1070988196.db2.gz ZIVYAWKWJKIZQM-AWEZNQCLSA-N 1 0 411.503 -0.561 20 0 HBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC000819805603 1070988387 /nfs/dbraw/zinc/98/83/87/1070988387.db2.gz ZIVYAWKWJKIZQM-CQSZACIVSA-N 1 0 411.503 -0.561 20 0 HBADRO CC(C)C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820419519 1070995386 /nfs/dbraw/zinc/99/53/86/1070995386.db2.gz QFRLODUTFKZEDC-FNQZAJIHSA-N 1 0 419.526 -0.209 20 0 HBADRO CC(C)C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820419520 1070995478 /nfs/dbraw/zinc/99/54/78/1070995478.db2.gz QFRLODUTFKZEDC-IIAQQRLMSA-N 1 0 419.526 -0.209 20 0 HBADRO CC(C)C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820419521 1070995369 /nfs/dbraw/zinc/99/53/69/1070995369.db2.gz QFRLODUTFKZEDC-PWHGLLLSSA-N 1 0 419.526 -0.209 20 0 HBADRO CC(C)C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820419523 1070995405 /nfs/dbraw/zinc/99/54/05/1070995405.db2.gz QFRLODUTFKZEDC-ZMJQMOPZSA-N 1 0 419.526 -0.209 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000820786758 1070999027 /nfs/dbraw/zinc/99/90/27/1070999027.db2.gz UUAMEZHFPFRDMK-UHFFFAOYSA-N 1 0 405.546 -0.856 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000820787965 1070999068 /nfs/dbraw/zinc/99/90/68/1070999068.db2.gz RLQHJWFSRVMJPH-UHFFFAOYSA-N 1 0 405.546 -0.856 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000820795912 1070999611 /nfs/dbraw/zinc/99/96/11/1070999611.db2.gz USWHRMIFPKIQDV-UHFFFAOYSA-N 1 0 419.569 -0.046 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000820796040 1070999713 /nfs/dbraw/zinc/99/97/13/1070999713.db2.gz XZVKHMUJLGEFKR-KRWDZBQOSA-N 1 0 419.569 -0.046 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000820796041 1070999879 /nfs/dbraw/zinc/99/98/79/1070999879.db2.gz XZVKHMUJLGEFKR-QGZVFWFLSA-N 1 0 419.569 -0.046 20 0 HBADRO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000821328454 1071002146 /nfs/dbraw/zinc/00/21/46/1071002146.db2.gz JNPNMENJOGJFQU-RRQGHBQHSA-N 1 0 408.524 -0.209 20 0 HBADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000821328455 1071001898 /nfs/dbraw/zinc/00/18/98/1071001898.db2.gz JNPNMENJOGJFQU-XYPHTWIQSA-N 1 0 408.524 -0.209 20 0 HBADRO CC[NH+]1CCC(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)(C(F)(F)F)CC1 ZINC000821653372 1071004025 /nfs/dbraw/zinc/00/40/25/1071004025.db2.gz ZEZACEMDAAOIRX-UHFFFAOYSA-N 1 0 416.404 -0.033 20 0 HBADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)ccn1 ZINC000856633136 1071839384 /nfs/dbraw/zinc/83/93/84/1071839384.db2.gz UAVLYCJVQPVUTB-HNNXBMFYSA-N 1 0 403.439 -0.066 20 0 HBADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)ccn1 ZINC000856633139 1071839261 /nfs/dbraw/zinc/83/92/61/1071839261.db2.gz UAVLYCJVQPVUTB-OAHLLOKOSA-N 1 0 403.439 -0.066 20 0 HBADRO CCc1noc(C[C@@]2(O)CCC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n1 ZINC000856674832 1071839159 /nfs/dbraw/zinc/83/91/59/1071839159.db2.gz WJOKWGRSKXZVTQ-IBGZPJMESA-N 1 0 417.470 -0.551 20 0 HBADRO CCc1noc(C[C@]2(O)CCC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n1 ZINC000856674833 1071840021 /nfs/dbraw/zinc/84/00/21/1071840021.db2.gz WJOKWGRSKXZVTQ-LJQANCHMSA-N 1 0 417.470 -0.551 20 0 HBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 ZINC000856827595 1071841806 /nfs/dbraw/zinc/84/18/06/1071841806.db2.gz JJGJZLHGDKGKKL-INIZCTEOSA-N 1 0 418.560 -0.008 20 0 HBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 ZINC000856827598 1071841896 /nfs/dbraw/zinc/84/18/96/1071841896.db2.gz JJGJZLHGDKGKKL-MRXNPFEDSA-N 1 0 418.560 -0.008 20 0 HBADRO O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NC1CC[NH+](C2CC2)CC1 ZINC000857184482 1071844725 /nfs/dbraw/zinc/84/47/25/1071844725.db2.gz HUJINHGVMAHDMN-UHFFFAOYSA-N 1 0 408.480 -0.230 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(S(N)(=O)=O)CC3)cc2)CC1 ZINC000862533306 1071859790 /nfs/dbraw/zinc/85/97/90/1071859790.db2.gz PZRPZGNOFCJABT-UHFFFAOYSA-N 1 0 410.544 -0.412 20 0 HBADRO COC(=O)c1c[nH]nc1S(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000912538331 1070609525 /nfs/dbraw/zinc/60/95/25/1070609525.db2.gz RFOKXWFPHKAVNZ-UHFFFAOYSA-N 1 0 409.468 -0.034 20 0 HBADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000912555293 1070611772 /nfs/dbraw/zinc/61/17/72/1070611772.db2.gz CARQYCITTIECGM-UHFFFAOYSA-N 1 0 415.516 -0.339 20 0 HBADRO COC(=O)c1c[nH]nc1S(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000912557281 1070611952 /nfs/dbraw/zinc/61/19/52/1070611952.db2.gz WXKSUBDAKIMBBB-UHFFFAOYSA-N 1 0 401.489 -0.729 20 0 HBADRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000912557305 1070611868 /nfs/dbraw/zinc/61/18/68/1070611868.db2.gz XPHRIJCUBKGRTI-UHFFFAOYSA-N 1 0 415.516 -0.420 20 0 HBADRO C[C@H]1CCCCN1C(=O)CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000913062568 1070667172 /nfs/dbraw/zinc/66/71/72/1070667172.db2.gz ROUITTOUHXVHKO-KRWDZBQOSA-N 1 0 420.558 -0.021 20 0 HBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000913062569 1070667323 /nfs/dbraw/zinc/66/73/23/1070667323.db2.gz ROUITTOUHXVHKO-QGZVFWFLSA-N 1 0 420.558 -0.021 20 0 HBADRO Cn1c(=O)c2ccc(C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)nc2n(C)c1=O ZINC000913374630 1070688183 /nfs/dbraw/zinc/68/81/83/1070688183.db2.gz KVLHSGSRIMWCQJ-UHFFFAOYSA-N 1 0 415.450 -0.468 20 0 HBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC3(CC2)OCCO3)CC1 ZINC000914573339 1071633266 /nfs/dbraw/zinc/63/32/66/1071633266.db2.gz CCWIVPLPYFHIKL-UHFFFAOYSA-N 1 0 401.471 -0.149 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655969 1071641554 /nfs/dbraw/zinc/64/15/54/1071641554.db2.gz YNGLBFGOJRLWPV-JYJNAYRXSA-N 1 0 402.513 -0.078 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655970 1071641575 /nfs/dbraw/zinc/64/15/75/1071641575.db2.gz YNGLBFGOJRLWPV-OAGGEKHMSA-N 1 0 402.513 -0.078 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655971 1071641674 /nfs/dbraw/zinc/64/16/74/1071641674.db2.gz YNGLBFGOJRLWPV-PMPSAXMXSA-N 1 0 402.513 -0.078 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655972 1071642152 /nfs/dbraw/zinc/64/21/52/1071642152.db2.gz YNGLBFGOJRLWPV-XHSDSOJGSA-N 1 0 402.513 -0.078 20 0 HBADRO CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1=O ZINC000914858761 1071657954 /nfs/dbraw/zinc/65/79/54/1071657954.db2.gz KELYUKUPSWMOQD-UHFFFAOYSA-N 1 0 401.467 -0.585 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000915037815 1071672257 /nfs/dbraw/zinc/67/22/57/1071672257.db2.gz PMYLSSBLGOYRQS-GFCCVEGCSA-N 1 0 403.457 -0.443 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000915037818 1071672274 /nfs/dbraw/zinc/67/22/74/1071672274.db2.gz PMYLSSBLGOYRQS-LBPRGKRZSA-N 1 0 403.457 -0.443 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000915240232 1071685681 /nfs/dbraw/zinc/68/56/81/1071685681.db2.gz RJXIKQYSVDZXAK-CYBMUJFWSA-N 1 0 417.484 -0.183 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000915240233 1071685834 /nfs/dbraw/zinc/68/58/34/1071685834.db2.gz RJXIKQYSVDZXAK-ZDUSSCGKSA-N 1 0 417.484 -0.183 20 0 HBADRO CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000915241293 1071684520 /nfs/dbraw/zinc/68/45/20/1071684520.db2.gz FGHUFFSKYFNQAJ-CYBMUJFWSA-N 1 0 416.500 -0.447 20 0 HBADRO CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000915241297 1071684501 /nfs/dbraw/zinc/68/45/01/1071684501.db2.gz FGHUFFSKYFNQAJ-ZDUSSCGKSA-N 1 0 416.500 -0.447 20 0 HBADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n(C)c1 ZINC000915266401 1071687212 /nfs/dbraw/zinc/68/72/12/1071687212.db2.gz LQYOTIIPXOWKIZ-UHFFFAOYSA-N 1 0 413.544 -0.098 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000915266888 1071687106 /nfs/dbraw/zinc/68/71/06/1071687106.db2.gz GZCZJHXKALOHRB-NRFANRHFSA-N 1 0 413.478 -0.388 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000915266891 1071687095 /nfs/dbraw/zinc/68/70/95/1071687095.db2.gz GZCZJHXKALOHRB-OAQYLSRUSA-N 1 0 413.478 -0.388 20 0 HBADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2=O)cc1 ZINC000915266902 1071687073 /nfs/dbraw/zinc/68/70/73/1071687073.db2.gz HPMPYPKSIBWEEA-NRFANRHFSA-N 1 0 415.494 -0.006 20 0 HBADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2=O)cc1 ZINC000915266905 1071687087 /nfs/dbraw/zinc/68/70/87/1071687087.db2.gz HPMPYPKSIBWEEA-OAQYLSRUSA-N 1 0 415.494 -0.006 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000915267402 1071687710 /nfs/dbraw/zinc/68/77/10/1071687710.db2.gz MLODRFMCLQRJQV-UHFFFAOYSA-N 1 0 407.496 -0.700 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000915267803 1071687761 /nfs/dbraw/zinc/68/77/61/1071687761.db2.gz SVGWSQDAGPCPNS-FQEVSTJZSA-N 1 0 401.467 -0.314 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000915267804 1071687696 /nfs/dbraw/zinc/68/76/96/1071687696.db2.gz SVGWSQDAGPCPNS-HXUWFJFHSA-N 1 0 401.467 -0.314 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000915268122 1071687831 /nfs/dbraw/zinc/68/78/31/1071687831.db2.gz XEUBYXYENUNWKQ-FQEVSTJZSA-N 1 0 419.457 -0.175 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000915268124 1071687785 /nfs/dbraw/zinc/68/77/85/1071687785.db2.gz XEUBYXYENUNWKQ-HXUWFJFHSA-N 1 0 419.457 -0.175 20 0 HBADRO C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915394243 1071697997 /nfs/dbraw/zinc/69/79/97/1071697997.db2.gz RUKOQDJRIKILFW-DOTOQJQBSA-N 1 0 414.462 -0.131 20 0 HBADRO C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915394245 1071698063 /nfs/dbraw/zinc/69/80/63/1071698063.db2.gz RUKOQDJRIKILFW-NVXWUHKLSA-N 1 0 414.462 -0.131 20 0 HBADRO C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915394247 1071697977 /nfs/dbraw/zinc/69/79/77/1071697977.db2.gz RUKOQDJRIKILFW-RDJZCZTQSA-N 1 0 414.462 -0.131 20 0 HBADRO C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000915394250 1071698022 /nfs/dbraw/zinc/69/80/22/1071698022.db2.gz RUKOQDJRIKILFW-WBVHZDCISA-N 1 0 414.462 -0.131 20 0 HBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000915622740 1071717430 /nfs/dbraw/zinc/71/74/30/1071717430.db2.gz DZHMZDGGNJQTEV-HNNXBMFYSA-N 1 0 418.498 -0.417 20 0 HBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000915622743 1071717321 /nfs/dbraw/zinc/71/73/21/1071717321.db2.gz DZHMZDGGNJQTEV-OAHLLOKOSA-N 1 0 418.498 -0.417 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000915649109 1071717829 /nfs/dbraw/zinc/71/78/29/1071717829.db2.gz PHTDURTWBPYZNI-UHFFFAOYSA-N 1 0 410.496 -0.125 20 0 HBADRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cn2)CC1 ZINC000915706045 1071719782 /nfs/dbraw/zinc/71/97/82/1071719782.db2.gz AJRYPWLBQCDCLV-VURMDHGXSA-N 1 0 412.494 -0.050 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000915751957 1071721096 /nfs/dbraw/zinc/72/10/96/1071721096.db2.gz CSCKHCTZQJNSPY-UHFFFAOYSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000915755213 1071721192 /nfs/dbraw/zinc/72/11/92/1071721192.db2.gz JOPWYONBXYAWRT-UHFFFAOYSA-N 1 0 403.483 -0.258 20 0 HBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000915759682 1071721153 /nfs/dbraw/zinc/72/11/53/1071721153.db2.gz PNWRHBJNBKDKNO-UHFFFAOYSA-N 1 0 416.526 -0.297 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc2)CC1 ZINC000915774976 1071722145 /nfs/dbraw/zinc/72/21/45/1071722145.db2.gz MRRPDROUNDEZEP-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915775028 1071722057 /nfs/dbraw/zinc/72/20/57/1071722057.db2.gz TWHQKMGGNJJWDO-UHFFFAOYSA-N 1 0 416.526 -0.297 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000915775591 1071722097 /nfs/dbraw/zinc/72/20/97/1071722097.db2.gz RZPXKDCVYJBOTN-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO CN(CCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000915776909 1071722088 /nfs/dbraw/zinc/72/20/88/1071722088.db2.gz BFZCMQGZJBDNRB-UHFFFAOYSA-N 1 0 411.528 -0.225 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000916259218 1071756463 /nfs/dbraw/zinc/75/64/63/1071756463.db2.gz XJWAEUUUSAVLTK-UHFFFAOYSA-N 1 0 418.608 -0.074 20 0 HBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000916382515 1071757443 /nfs/dbraw/zinc/75/74/43/1071757443.db2.gz GTLQEMHFLMPNNM-UHFFFAOYSA-N 1 0 418.608 -0.074 20 0 HBADRO Cn1c2ncn(CC(=O)Nc3ccccc3N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000916557096 1071763559 /nfs/dbraw/zinc/76/35/59/1071763559.db2.gz SICNYLNUXWTRKD-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c(=O)n2C ZINC000916557423 1071763681 /nfs/dbraw/zinc/76/36/81/1071763681.db2.gz NRWHFSUVROZGNQ-UHFFFAOYSA-N 1 0 411.466 -0.176 20 0 HBADRO COCCN(C(=O)C[NH2+]C(C)(C)CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000916572824 1071764346 /nfs/dbraw/zinc/76/43/46/1071764346.db2.gz PLHOVYDPDZTENM-UHFFFAOYSA-N 1 0 419.482 -0.081 20 0 HBADRO C[NH+](C)CCn1nnnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000916702968 1071774221 /nfs/dbraw/zinc/77/42/21/1071774221.db2.gz MPPBXRWASOVINZ-KRWDZBQOSA-N 1 0 418.483 -0.175 20 0 HBADRO C[NH+](C)CCn1nnnc1SCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000916702969 1071774095 /nfs/dbraw/zinc/77/40/95/1071774095.db2.gz MPPBXRWASOVINZ-QGZVFWFLSA-N 1 0 418.483 -0.175 20 0 HBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnnn1CC[NH+](C)C)C2=O ZINC000916703101 1071774121 /nfs/dbraw/zinc/77/41/21/1071774121.db2.gz RIEQZPFDEIQIJR-UHFFFAOYSA-N 1 0 410.504 -0.141 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc2S1(=O)=O ZINC000916744967 1071774856 /nfs/dbraw/zinc/77/48/56/1071774856.db2.gz PGLKOODYYAGEFK-UHFFFAOYSA-N 1 0 424.523 -0.203 20 0 HBADRO COCC(=O)NC1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000917119938 1071787223 /nfs/dbraw/zinc/78/72/23/1071787223.db2.gz LLYHHPFOWMKDIV-UHFFFAOYSA-N 1 0 409.487 -0.111 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000917324814 1071800084 /nfs/dbraw/zinc/80/00/84/1071800084.db2.gz GPSGKLMJNPPUTJ-UHFFFAOYSA-N 1 0 418.494 -0.175 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000917325097 1071800013 /nfs/dbraw/zinc/80/00/13/1071800013.db2.gz HHVXOCABCZLIBD-UHFFFAOYSA-N 1 0 418.494 -0.129 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)CNC(C)=O)cc2)CC1 ZINC000917325832 1071800051 /nfs/dbraw/zinc/80/00/51/1071800051.db2.gz OJKPVISGUQQMLB-UHFFFAOYSA-N 1 0 419.482 -0.438 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000917326518 1071800722 /nfs/dbraw/zinc/80/07/22/1071800722.db2.gz ZZBDXWUECYYVTC-UHFFFAOYSA-N 1 0 418.494 -0.175 20 0 HBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(N)=O)cn3)CC1)C2=O ZINC000917433712 1071807795 /nfs/dbraw/zinc/80/77/95/1071807795.db2.gz KQEVGGBYQXOGEM-UHFFFAOYSA-N 1 0 401.471 -0.724 20 0 HBADRO CCCS(=O)(=O)NC1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000917458525 1071807877 /nfs/dbraw/zinc/80/78/77/1071807877.db2.gz JMWYLDICTZOJCZ-UHFFFAOYSA-N 1 0 401.533 -0.246 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000917623103 1071818378 /nfs/dbraw/zinc/81/83/78/1071818378.db2.gz MSHHVSGQZITHHJ-UHFFFAOYSA-N 1 0 424.523 -0.155 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000917629380 1071819091 /nfs/dbraw/zinc/81/90/91/1071819091.db2.gz YGFZYEGKSSAAFJ-UHFFFAOYSA-N 1 0 410.496 -0.545 20 0 HBADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000918118716 1071845599 /nfs/dbraw/zinc/84/55/99/1071845599.db2.gz CLIJXKILXASLQA-KRWDZBQOSA-N 1 0 416.592 -0.320 20 0 HBADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000918118718 1071845543 /nfs/dbraw/zinc/84/55/43/1071845543.db2.gz CLIJXKILXASLQA-QGZVFWFLSA-N 1 0 416.592 -0.320 20 0 HBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)N1CC[NH+](C)CC1 ZINC000918253471 1071851164 /nfs/dbraw/zinc/85/11/64/1071851164.db2.gz SMZBXSIQCUOYQI-INIZCTEOSA-N 1 0 400.487 -0.011 20 0 HBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1)N1CC[NH+](C)CC1 ZINC000918253472 1071851229 /nfs/dbraw/zinc/85/12/29/1071851229.db2.gz SMZBXSIQCUOYQI-MRXNPFEDSA-N 1 0 400.487 -0.011 20 0 HBADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918263059 1071851993 /nfs/dbraw/zinc/85/19/93/1071851993.db2.gz IQHQMCWBMRQNAT-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000918263582 1071851701 /nfs/dbraw/zinc/85/17/01/1071851701.db2.gz GKJOKCKRBLHHLK-UHFFFAOYSA-N 1 0 411.528 -0.178 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000918313284 1071854331 /nfs/dbraw/zinc/85/43/31/1071854331.db2.gz ABMBYYKHKSGFLX-UHFFFAOYSA-N 1 0 409.512 -0.519 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000918313380 1071854486 /nfs/dbraw/zinc/85/44/86/1071854486.db2.gz DYPFXBPZXIKJQG-UHFFFAOYSA-N 1 0 423.539 -0.129 20 0 HBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000918314343 1071855251 /nfs/dbraw/zinc/85/52/51/1071855251.db2.gz VPKJZIZMHAUTQV-UHFFFAOYSA-N 1 0 423.539 -0.129 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000918318471 1071857739 /nfs/dbraw/zinc/85/77/39/1071857739.db2.gz IWJAIYQPQXUAHO-UHFFFAOYSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000918405551 1071864965 /nfs/dbraw/zinc/86/49/65/1071864965.db2.gz WYRRUHLRYMGWFY-UHFFFAOYSA-N 1 0 423.539 -0.129 20 0 HBADRO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918410458 1071865435 /nfs/dbraw/zinc/86/54/35/1071865435.db2.gz ZYENYLFUKIQNPX-UHFFFAOYSA-N 1 0 403.483 -0.306 20 0 HBADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918412526 1071866227 /nfs/dbraw/zinc/86/62/27/1071866227.db2.gz DALGEMAZWGIKPE-UHFFFAOYSA-N 1 0 416.526 -0.343 20 0 HBADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000918419223 1071869193 /nfs/dbraw/zinc/86/91/93/1071869193.db2.gz DADQQZMDPCIIHV-UHFFFAOYSA-N 1 0 416.526 -0.343 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000918425954 1071870549 /nfs/dbraw/zinc/87/05/49/1071870549.db2.gz SSMFWYLPLOKRLN-HNNXBMFYSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000918425955 1071870373 /nfs/dbraw/zinc/87/03/73/1071870373.db2.gz SSMFWYLPLOKRLN-OAHLLOKOSA-N 1 0 423.539 -0.083 20 0 HBADRO C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000918464853 1071875565 /nfs/dbraw/zinc/87/55/65/1071875565.db2.gz HDHDHDMYVDNDNJ-GFCCVEGCSA-N 1 0 402.455 -0.439 20 0 HBADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000918464854 1071875510 /nfs/dbraw/zinc/87/55/10/1071875510.db2.gz HDHDHDMYVDNDNJ-LBPRGKRZSA-N 1 0 402.455 -0.439 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000919243363 1071943779 /nfs/dbraw/zinc/94/37/79/1071943779.db2.gz ROGPQZQXMIZTAG-CVEARBPZSA-N 1 0 419.544 -0.183 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000919243364 1071943869 /nfs/dbraw/zinc/94/38/69/1071943869.db2.gz ROGPQZQXMIZTAG-HOTGVXAUSA-N 1 0 419.544 -0.183 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000919243365 1071943939 /nfs/dbraw/zinc/94/39/39/1071943939.db2.gz ROGPQZQXMIZTAG-HZPDHXFCSA-N 1 0 419.544 -0.183 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000919243366 1071943983 /nfs/dbraw/zinc/94/39/83/1071943983.db2.gz ROGPQZQXMIZTAG-JKSUJKDBSA-N 1 0 419.544 -0.183 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CCN2CCCS2(=O)=O)C1 ZINC000919440218 1071967905 /nfs/dbraw/zinc/96/79/05/1071967905.db2.gz FAGVZORYTKKPML-HNNXBMFYSA-N 1 0 405.517 -0.572 20 0 HBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CCN2CCCS2(=O)=O)C1 ZINC000919440219 1071967987 /nfs/dbraw/zinc/96/79/87/1071967987.db2.gz FAGVZORYTKKPML-OAHLLOKOSA-N 1 0 405.517 -0.572 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919506527 1071976891 /nfs/dbraw/zinc/97/68/91/1071976891.db2.gz CJBKKGSKJGZNSH-PBHICJAKSA-N 1 0 404.467 -0.439 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919506528 1071977057 /nfs/dbraw/zinc/97/70/57/1071977057.db2.gz CJBKKGSKJGZNSH-RHSMWYFYSA-N 1 0 404.467 -0.439 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919506529 1071976939 /nfs/dbraw/zinc/97/69/39/1071976939.db2.gz CJBKKGSKJGZNSH-WMLDXEAASA-N 1 0 404.467 -0.439 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919506530 1071976964 /nfs/dbraw/zinc/97/69/64/1071976964.db2.gz CJBKKGSKJGZNSH-YOEHRIQHSA-N 1 0 404.467 -0.439 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000919506543 1071976875 /nfs/dbraw/zinc/97/68/75/1071976875.db2.gz CQDXWJDQKPFHBH-HNNXBMFYSA-N 1 0 418.494 -0.049 20 0 HBADRO CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000919506544 1071976868 /nfs/dbraw/zinc/97/68/68/1071976868.db2.gz CQDXWJDQKPFHBH-OAHLLOKOSA-N 1 0 418.494 -0.049 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000919941187 1072018733 /nfs/dbraw/zinc/01/87/33/1072018733.db2.gz GEAGGXYENSQWLE-UHFFFAOYSA-N 1 0 420.532 -0.130 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000919966352 1072021205 /nfs/dbraw/zinc/02/12/05/1072021205.db2.gz GKUMSOBZFULXAI-UHFFFAOYSA-N 1 0 420.491 -0.161 20 0 HBADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(=O)n(C)c(=O)n1C ZINC000920256617 1072035858 /nfs/dbraw/zinc/03/58/58/1072035858.db2.gz QVSIRTYGKGPSLL-UHFFFAOYSA-N 1 0 409.487 -0.405 20 0 HBADRO O=C(C[NH+]1CCC(C(=O)NCCO)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000920258697 1072036028 /nfs/dbraw/zinc/03/60/28/1072036028.db2.gz ZHUBNQFJUOSMHP-UHFFFAOYSA-N 1 0 408.524 -0.147 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000920309432 1072037128 /nfs/dbraw/zinc/03/71/28/1072037128.db2.gz IIBXRFPRHSZPFR-GASCZTMLSA-N 1 0 419.617 -0.073 20 0 HBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000920309436 1072037085 /nfs/dbraw/zinc/03/70/85/1072037085.db2.gz IIBXRFPRHSZPFR-GJZGRUSLSA-N 1 0 419.617 -0.073 20 0 HBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000920309440 1072036898 /nfs/dbraw/zinc/03/68/98/1072036898.db2.gz IIBXRFPRHSZPFR-HUUCEWRRSA-N 1 0 419.617 -0.073 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000920309789 1072037791 /nfs/dbraw/zinc/03/77/91/1072037791.db2.gz ORVXFJRAURMBJT-UHFFFAOYSA-N 1 0 404.606 -0.935 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000920320728 1072038267 /nfs/dbraw/zinc/03/82/67/1072038267.db2.gz OOGIOYOWTQWHFL-HNNXBMFYSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000920320733 1072038294 /nfs/dbraw/zinc/03/82/94/1072038294.db2.gz OOGIOYOWTQWHFL-OAHLLOKOSA-N 1 0 423.539 -0.083 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC000920443792 1072041961 /nfs/dbraw/zinc/04/19/61/1072041961.db2.gz NBNABGLJZZAMHL-INIZCTEOSA-N 1 0 404.446 -0.522 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC000920443793 1072042088 /nfs/dbraw/zinc/04/20/88/1072042088.db2.gz NBNABGLJZZAMHL-MRXNPFEDSA-N 1 0 404.446 -0.522 20 0 HBADRO CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2S1(=O)=O ZINC000920444106 1072042009 /nfs/dbraw/zinc/04/20/09/1072042009.db2.gz VRKGBVXIWSEUBT-UHFFFAOYSA-N 1 0 408.480 -0.303 20 0 HBADRO COCCS(=O)(=O)CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000920457256 1072043267 /nfs/dbraw/zinc/04/32/67/1072043267.db2.gz OVSLMOWGIFNBJY-UHFFFAOYSA-N 1 0 405.561 -0.010 20 0 HBADRO Cn1c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000920605851 1072048117 /nfs/dbraw/zinc/04/81/17/1072048117.db2.gz VUFCLXUUGYUONF-UHFFFAOYSA-N 1 0 417.466 -0.525 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC000920768599 1072051923 /nfs/dbraw/zinc/05/19/23/1072051923.db2.gz GJULESUMQDTFHZ-UHFFFAOYSA-N 1 0 401.577 -0.111 20 0 HBADRO C[NH+]1CCC(NC(=S)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000920994387 1072053043 /nfs/dbraw/zinc/05/30/43/1072053043.db2.gz WYPDFEKMORCBBL-CQSZACIVSA-N 1 0 424.614 -0.910 20 0 HBADRO NC(=O)CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000921073168 1072053546 /nfs/dbraw/zinc/05/35/46/1072053546.db2.gz BNEFECRTOPZYIL-UHFFFAOYSA-N 1 0 415.541 -0.568 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000921167271 1072055646 /nfs/dbraw/zinc/05/56/46/1072055646.db2.gz BGXFDJYKBGVYDT-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000921167288 1072055669 /nfs/dbraw/zinc/05/56/69/1072055669.db2.gz CCNZSUPNFWFMDO-UHFFFAOYSA-N 1 0 416.507 -0.053 20 0 HBADRO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000941971639 1072164026 /nfs/dbraw/zinc/16/40/26/1072164026.db2.gz UFUAJAXVBAHZQM-ZBDIRKKZSA-N 1 0 417.510 -0.176 20 0 HBADRO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000941987226 1072164796 /nfs/dbraw/zinc/16/47/96/1072164796.db2.gz DLWNOKRUGZFWPY-NXNSZQSLSA-N 1 0 417.510 -0.176 20 0 HBADRO CO[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944038473 1072196716 /nfs/dbraw/zinc/19/67/16/1072196716.db2.gz SDIAUHCGEQZMLH-JHSWVUKBSA-N 1 0 407.511 -0.137 20 0 HBADRO CO[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944043925 1072195637 /nfs/dbraw/zinc/19/56/37/1072195637.db2.gz IYLXBPRMBNKACH-NXNSZQSLSA-N 1 0 417.510 -0.176 20 0 HBADRO CO[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944044738 1072195505 /nfs/dbraw/zinc/19/55/05/1072195505.db2.gz QUWUYDMLFZMGHP-ZBDIRKKZSA-N 1 0 417.510 -0.176 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC000969217977 1068224992 /nfs/dbraw/zinc/22/49/92/1068224992.db2.gz KIIPTKFWCRUCPB-XEIOYGOASA-N 1 0 400.435 -0.313 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000969278049 1068229965 /nfs/dbraw/zinc/22/99/65/1068229965.db2.gz BXMKZXVBMKAWOC-VEXYZSIHSA-N 1 0 409.446 -0.008 20 0 HBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)cn1 ZINC000969322533 1068235563 /nfs/dbraw/zinc/23/55/63/1068235563.db2.gz GXCVGAAZXASVII-AXSMETJDSA-N 1 0 403.483 -0.830 20 0 HBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)n1 ZINC000969322718 1068236074 /nfs/dbraw/zinc/23/60/74/1068236074.db2.gz KDCGRRQUSBNESL-CFDVNRPPSA-N 1 0 403.483 -0.830 20 0 HBADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC000969327442 1068237161 /nfs/dbraw/zinc/23/71/61/1068237161.db2.gz SHYDEUDQJMWISW-AXSMETJDSA-N 1 0 407.511 -0.544 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000969335341 1068239699 /nfs/dbraw/zinc/23/96/99/1068239699.db2.gz LHAUDNNYJJORBX-VEXYZSIHSA-N 1 0 409.446 -0.008 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000969407514 1068247154 /nfs/dbraw/zinc/24/71/54/1068247154.db2.gz JEBULIAIVDTYAN-PITCONLNSA-N 1 0 404.511 -0.415 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000969648469 1068256637 /nfs/dbraw/zinc/25/66/37/1068256637.db2.gz CBTMFLGGDKJZHR-XEIOYGOASA-N 1 0 400.435 -0.313 20 0 HBADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969649205 1068257060 /nfs/dbraw/zinc/25/70/60/1068257060.db2.gz FAZJYSVLKAYRGY-VZKYEUNXSA-N 1 0 404.467 -0.499 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000969650535 1068258032 /nfs/dbraw/zinc/25/80/32/1068258032.db2.gz QEENWISCTRQAAG-XEIOYGOASA-N 1 0 400.435 -0.313 20 0 HBADRO C[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CN(CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000970188182 1068322132 /nfs/dbraw/zinc/32/21/32/1068322132.db2.gz PXEHJENCZMOWPT-BMMUQAPUSA-N 1 0 404.511 -0.430 20 0 HBADRO C[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CN(CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000970188183 1068321946 /nfs/dbraw/zinc/32/19/46/1068321946.db2.gz PXEHJENCZMOWPT-FGSOTHKPSA-N 1 0 404.511 -0.430 20 0 HBADRO Cn1c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc(=O)n(C)c1=O ZINC000978555931 1069234626 /nfs/dbraw/zinc/23/46/26/1069234626.db2.gz KRLUNWRUBAECJQ-SQHVCIQUSA-N 1 0 400.479 -0.699 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[nH]1 ZINC000984125578 1070854246 /nfs/dbraw/zinc/85/42/46/1070854246.db2.gz RANUGZUMPATSPO-ITCTVVDESA-N 1 0 401.467 -0.068 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[nH]1 ZINC000984125581 1070854545 /nfs/dbraw/zinc/85/45/45/1070854545.db2.gz RANUGZUMPATSPO-SCQTYWGTSA-N 1 0 401.467 -0.068 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc(=O)[nH]2)C1 ZINC000984139382 1070906012 /nfs/dbraw/zinc/90/60/12/1070906012.db2.gz JGSWJPQLWRXMLN-BVWOBERRSA-N 1 0 401.467 -0.210 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)NCc2nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc(=O)[nH]2)C1 ZINC000984139389 1070906227 /nfs/dbraw/zinc/90/62/27/1070906227.db2.gz JGSWJPQLWRXMLN-ODRUYCQJSA-N 1 0 401.467 -0.210 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC000984143380 1070916077 /nfs/dbraw/zinc/91/60/77/1070916077.db2.gz GEAZALCUPZDXIH-ITCTVVDESA-N 1 0 401.467 -0.068 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC000984143385 1070916169 /nfs/dbraw/zinc/91/61/69/1070916169.db2.gz GEAZALCUPZDXIH-SCQTYWGTSA-N 1 0 401.467 -0.068 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)C1 ZINC000984144674 1070919815 /nfs/dbraw/zinc/91/98/15/1070919815.db2.gz SGOBZEVHZORGDF-BVWOBERRSA-N 1 0 401.467 -0.210 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)C1 ZINC000984144675 1070919553 /nfs/dbraw/zinc/91/95/53/1070919553.db2.gz SGOBZEVHZORGDF-ODRUYCQJSA-N 1 0 401.467 -0.210 20 0 HBADRO Cn1c(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc(=O)n(C)c1=O ZINC000985550993 1071343918 /nfs/dbraw/zinc/34/39/18/1071343918.db2.gz NSUACAORRSGGLO-BCDMZGRMSA-N 1 0 402.495 -0.070 20 0 HBADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC000990877040 1070299243 /nfs/dbraw/zinc/29/92/43/1070299243.db2.gz VBMHDQXFFKXYOC-WZSRKYPNSA-N 1 0 400.483 -0.335 20 0 HBADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2n2ccnn2)CC1 ZINC000990898025 1070306916 /nfs/dbraw/zinc/30/69/16/1070306916.db2.gz JTUBBBWVMMMDGP-KNEKCZJMSA-N 1 0 414.510 -0.089 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC000990905146 1070307600 /nfs/dbraw/zinc/30/76/00/1070307600.db2.gz DMJUPHOOBWAEPI-MTSZKFMLSA-N 1 0 400.483 -0.191 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC000990905768 1070307674 /nfs/dbraw/zinc/30/76/74/1070307674.db2.gz GIGLFVRHCAVCBI-AXSMETJDSA-N 1 0 412.494 -0.335 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000990913895 1070309721 /nfs/dbraw/zinc/30/97/21/1070309721.db2.gz BYMYJGBUDUDSJQ-AXSMETJDSA-N 1 0 412.494 -0.335 20 0 HBADRO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](n3ccnn3)C2)CC1 ZINC000990913911 1070310212 /nfs/dbraw/zinc/31/02/12/1070310212.db2.gz CQZKNGPJKGATFA-KNEKCZJMSA-N 1 0 414.510 -0.089 20 0 HBADRO O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC000990914189 1070310039 /nfs/dbraw/zinc/31/00/39/1070310039.db2.gz FZJIMAUVTSUUDJ-WZSRKYPNSA-N 1 0 400.483 -0.335 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000990967385 1070318857 /nfs/dbraw/zinc/31/88/57/1070318857.db2.gz GFOSBOGQCMJEEB-MTSZKFMLSA-N 1 0 400.483 -0.191 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC000994712292 1072058021 /nfs/dbraw/zinc/05/80/21/1072058021.db2.gz PIPSKTXMCFBKER-SUMCQTLJSA-N 1 0 400.483 -0.205 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC000994712321 1072057842 /nfs/dbraw/zinc/05/78/42/1072057842.db2.gz PIPSKTXMCFBKER-UFYUIRFASA-N 1 0 400.483 -0.205 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)nn3)C2)C1 ZINC000994714728 1072058080 /nfs/dbraw/zinc/05/80/80/1072058080.db2.gz KDRGBJNBXORADV-LTUQZUHASA-N 1 0 400.483 -0.347 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)nn3)C2)C1 ZINC000994714733 1072057810 /nfs/dbraw/zinc/05/78/10/1072057810.db2.gz KDRGBJNBXORADV-XTENKEOPSA-N 1 0 400.483 -0.347 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC000994715769 1072057998 /nfs/dbraw/zinc/05/79/98/1072057998.db2.gz QVMVVZHZCLITEY-BCDMZGRMSA-N 1 0 400.483 -0.203 20 0 HBADRO C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)nn2)C1 ZINC000994720891 1072058572 /nfs/dbraw/zinc/05/85/72/1072058572.db2.gz RFKLVGQAKCXUEJ-LTUQZUHASA-N 1 0 400.483 -0.347 20 0 HBADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)nn2)C1 ZINC000994720894 1072058655 /nfs/dbraw/zinc/05/86/55/1072058655.db2.gz RFKLVGQAKCXUEJ-XTENKEOPSA-N 1 0 400.483 -0.347 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC000994721008 1072058507 /nfs/dbraw/zinc/05/85/07/1072058507.db2.gz UDHKQZPFAKWEPV-SUMCQTLJSA-N 1 0 400.483 -0.205 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC000994721010 1072058604 /nfs/dbraw/zinc/05/86/04/1072058604.db2.gz UDHKQZPFAKWEPV-UFYUIRFASA-N 1 0 400.483 -0.205 20 0 HBADRO O=C(C[NH+]1CCCC1)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000995484117 1072202284 /nfs/dbraw/zinc/20/22/84/1072202284.db2.gz KZHBFCSNWGNVLU-DLHZGZTKSA-N 1 0 402.495 -0.567 20 0 HBADRO O=C(C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000995484125 1072202310 /nfs/dbraw/zinc/20/23/10/1072202310.db2.gz KZHBFCSNWGNVLU-LHFCKMJTSA-N 1 0 402.495 -0.567 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2=O)C1 ZINC000995485400 1072202874 /nfs/dbraw/zinc/20/28/74/1072202874.db2.gz JCPTVXKWVOIJTM-DLHZGZTKSA-N 1 0 402.495 -0.567 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2=O)C1 ZINC000995485408 1072202972 /nfs/dbraw/zinc/20/29/72/1072202972.db2.gz JCPTVXKWVOIJTM-LHFCKMJTSA-N 1 0 402.495 -0.567 20 0 HBADRO Cn1c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2(C)C)cc(=O)n(C)c1=O ZINC000996067652 1068979828 /nfs/dbraw/zinc/97/98/28/1068979828.db2.gz FCKSYMFXWDJYAC-HOIZKXCTSA-N 1 0 402.495 -0.166 20 0 HBADRO Cn1c(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2(C)C)cc(=O)n(C)c1=O ZINC000996067660 1068979866 /nfs/dbraw/zinc/97/98/66/1068979866.db2.gz FCKSYMFXWDJYAC-ZHHZMWCQSA-N 1 0 402.495 -0.166 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC000996817077 1068995846 /nfs/dbraw/zinc/99/58/46/1068995846.db2.gz JGBNQFQSROPAAR-GJNTUIEKSA-N 1 0 404.511 -0.319 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC000996818960 1068996515 /nfs/dbraw/zinc/99/65/15/1068996515.db2.gz PVVUMWUTOILQLE-BCDMZGRMSA-N 1 0 404.511 -0.286 20 0 HBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000996819636 1068996598 /nfs/dbraw/zinc/99/65/98/1068996598.db2.gz RMJBEDMSUOBPJZ-PVHWUHCKSA-N 1 0 404.511 -0.286 20 0 HBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000996819640 1068996453 /nfs/dbraw/zinc/99/64/53/1068996453.db2.gz RMJBEDMSUOBPJZ-QZFZTSDASA-N 1 0 404.511 -0.286 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH]c(=O)c2=O)CC[N@@H+]1C ZINC000997005187 1069005445 /nfs/dbraw/zinc/00/54/45/1069005445.db2.gz SBDZZFIDDLIILX-SUJAAXHWSA-N 1 0 403.483 -0.485 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000997008432 1069005372 /nfs/dbraw/zinc/00/53/72/1069005372.db2.gz TUEIASNUQVOMJN-UVQHHTHUSA-N 1 0 403.483 -0.714 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1C ZINC000997014533 1069005388 /nfs/dbraw/zinc/00/53/88/1069005388.db2.gz ZHGIULOWARYRCH-SUJAAXHWSA-N 1 0 403.483 -0.865 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1C ZINC000997027565 1069005268 /nfs/dbraw/zinc/00/52/68/1069005268.db2.gz CJVZGSZRNRVJIK-GADBESIXSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1C ZINC000997027567 1069005417 /nfs/dbraw/zinc/00/54/17/1069005417.db2.gz CNPXOXUSJBZSHQ-FQKPHLNHSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C3)CC[N@@H+]1C ZINC000997028419 1069005282 /nfs/dbraw/zinc/00/52/82/1069005282.db2.gz GWSJTBXNLOICLE-FQKPHLNHSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2ncn(C)c2=O)CC[N@@H+]1C ZINC000997030052 1069006089 /nfs/dbraw/zinc/00/60/89/1069006089.db2.gz QYURWHBZIZQPIQ-HMDCTGQHSA-N 1 0 404.515 -0.050 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2nc(C)n(C)c2=O)CC[N@@H+]1C ZINC000997030308 1069005950 /nfs/dbraw/zinc/00/59/50/1069005950.db2.gz WNDGWURSALHTIU-HMDCTGQHSA-N 1 0 404.515 -0.131 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1C ZINC000997035437 1069006546 /nfs/dbraw/zinc/00/65/46/1069006546.db2.gz XANXPMGYRJWPCP-CWVYHPPDSA-N 1 0 403.483 -0.073 20 0 HBADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C3)CC[N@@H+]1C ZINC000997335187 1069029303 /nfs/dbraw/zinc/02/93/03/1069029303.db2.gz WPPXHURLDZGTBP-SUJAAXHWSA-N 1 0 403.483 -0.865 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)CC[N@@H+]1C ZINC000997365492 1069031192 /nfs/dbraw/zinc/03/11/92/1069031192.db2.gz VHMWXOSFUSYLPL-GADBESIXSA-N 1 0 403.487 -0.645 20 0 HBADRO Cn1c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc(=O)n(C)c1=O ZINC000997919050 1069113400 /nfs/dbraw/zinc/11/34/00/1069113400.db2.gz LYPMOISSDJINPP-BCDMZGRMSA-N 1 0 402.495 -0.164 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C3)CC[N@@H+]1C ZINC000998015214 1069116165 /nfs/dbraw/zinc/11/61/65/1069116165.db2.gz KPRCLOGLAIFUBQ-CWVYHPPDSA-N 1 0 403.483 -0.073 20 0 HBADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)O1 ZINC000998654113 1069128507 /nfs/dbraw/zinc/12/85/07/1069128507.db2.gz IJXRYGLQGQDMCQ-JSRQGNBESA-N 1 0 404.511 -0.034 20 0 HBADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC([NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000999140892 1069131566 /nfs/dbraw/zinc/13/15/66/1069131566.db2.gz LJAVCYLFWQUNPI-UYXMCWRTSA-N 1 0 404.511 -0.287 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000999146314 1069131970 /nfs/dbraw/zinc/13/19/70/1069131970.db2.gz XACHFESQSONPSV-ZEGDFKOZSA-N 1 0 404.511 -0.321 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C3)CC[N@@H+]1C ZINC000999317981 1069142341 /nfs/dbraw/zinc/14/23/41/1069142341.db2.gz XYNBCEDPWNESEA-HMDCTGQHSA-N 1 0 404.515 -0.131 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000999746076 1069147191 /nfs/dbraw/zinc/14/71/91/1069147191.db2.gz AIDSKNZUDPEKRS-FWCYYJLNSA-N 1 0 404.511 -0.286 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000999746078 1069147341 /nfs/dbraw/zinc/14/73/41/1069147341.db2.gz AIDSKNZUDPEKRS-PITCONLNSA-N 1 0 404.511 -0.286 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000999749302 1069147419 /nfs/dbraw/zinc/14/74/19/1069147419.db2.gz CBZWPKIRVIPNTC-SGTQZHETSA-N 1 0 404.511 -0.319 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000999749308 1069147391 /nfs/dbraw/zinc/14/73/91/1069147391.db2.gz CBZWPKIRVIPNTC-UQZKUAJDSA-N 1 0 404.511 -0.319 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC001003133898 1069286671 /nfs/dbraw/zinc/28/66/71/1069286671.db2.gz TUEIASNUQVOMJN-DFMBRWPFSA-N 1 0 403.483 -0.714 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH]c(=O)c2=O)CC[N@@H+]1C ZINC001003151751 1069287264 /nfs/dbraw/zinc/28/72/64/1069287264.db2.gz SBDZZFIDDLIILX-QCODTGAPSA-N 1 0 403.483 -0.485 20 0 HBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1C ZINC001003155986 1069287319 /nfs/dbraw/zinc/28/73/19/1069287319.db2.gz ZHGIULOWARYRCH-QCODTGAPSA-N 1 0 403.483 -0.865 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C3)CC[N@@H+]1C ZINC001003159691 1069288339 /nfs/dbraw/zinc/28/83/39/1069288339.db2.gz GWSJTBXNLOICLE-KHMAMNHCSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2nc(C)n(C)c2=O)CC[N@@H+]1C ZINC001003171449 1069288244 /nfs/dbraw/zinc/28/82/44/1069288244.db2.gz WNDGWURSALHTIU-JJTUDDRGSA-N 1 0 404.515 -0.131 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1C ZINC001003174195 1069287704 /nfs/dbraw/zinc/28/77/04/1069287704.db2.gz CJVZGSZRNRVJIK-RHBQXOTJSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1C ZINC001003174197 1069287821 /nfs/dbraw/zinc/28/78/21/1069287821.db2.gz CNPXOXUSJBZSHQ-KHMAMNHCSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2ncn(C)c2=O)CC[N@@H+]1C ZINC001003175325 1069288103 /nfs/dbraw/zinc/28/81/03/1069288103.db2.gz QYURWHBZIZQPIQ-JJTUDDRGSA-N 1 0 404.515 -0.050 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1C ZINC001003175772 1069289077 /nfs/dbraw/zinc/28/90/77/1069289077.db2.gz XANXPMGYRJWPCP-JKJDWNRSSA-N 1 0 403.483 -0.073 20 0 HBADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C3)CC[N@@H+]1C ZINC001003352656 1069295892 /nfs/dbraw/zinc/29/58/92/1069295892.db2.gz WPPXHURLDZGTBP-QCODTGAPSA-N 1 0 403.483 -0.865 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)CC[N@@H+]1C ZINC001003373129 1069298270 /nfs/dbraw/zinc/29/82/70/1069298270.db2.gz VHMWXOSFUSYLPL-RHBQXOTJSA-N 1 0 403.487 -0.645 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C3)CC[N@@H+]1C ZINC001003837209 1069332005 /nfs/dbraw/zinc/33/20/05/1069332005.db2.gz KPRCLOGLAIFUBQ-JKJDWNRSSA-N 1 0 403.483 -0.073 20 0 HBADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)O1 ZINC001004389010 1069379270 /nfs/dbraw/zinc/37/92/70/1069379270.db2.gz IJXRYGLQGQDMCQ-UHDSXZAQSA-N 1 0 404.511 -0.034 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C3)CC[N@@H+]1C ZINC001005096655 1069431140 /nfs/dbraw/zinc/43/11/40/1069431140.db2.gz XYNBCEDPWNESEA-JJTUDDRGSA-N 1 0 404.515 -0.131 20 0 HBADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC001005740713 1069493553 /nfs/dbraw/zinc/49/35/53/1069493553.db2.gz GXZLLXMTSAHSDO-BCDMZGRMSA-N 1 0 402.495 -0.070 20 0 HBADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)O1 ZINC001006249135 1069939082 /nfs/dbraw/zinc/93/90/82/1069939082.db2.gz PEVWNRORTRDGLV-UUAJXVIYSA-N 1 0 404.511 -0.034 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001020406210 1068219322 /nfs/dbraw/zinc/21/93/22/1068219322.db2.gz NDRUGRWXIRRTGJ-FNDPAJJVSA-N 1 0 404.511 -0.369 20 0 HBADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001020406277 1068220243 /nfs/dbraw/zinc/22/02/43/1068220243.db2.gz OYRWQHDHWWVUMA-LGCAEZQNSA-N 1 0 404.511 -0.241 20 0 HBADRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001020406278 1068220271 /nfs/dbraw/zinc/22/02/71/1068220271.db2.gz OYRWQHDHWWVUMA-OKZCHTIRSA-N 1 0 404.511 -0.241 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001020406317 1068220102 /nfs/dbraw/zinc/22/01/02/1068220102.db2.gz QVFURVJIRACVNI-MBLYQLFDSA-N 1 0 404.511 -0.274 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001020406318 1068220312 /nfs/dbraw/zinc/22/03/12/1068220312.db2.gz QVFURVJIRACVNI-RILBSKOWSA-N 1 0 404.511 -0.274 20 0 HBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001020408230 1068220118 /nfs/dbraw/zinc/22/01/18/1068220118.db2.gz ZRSVUUUJEZSHKK-DIJZNCSHSA-N 1 0 404.511 -0.226 20 0 HBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001020408231 1068220258 /nfs/dbraw/zinc/22/02/58/1068220258.db2.gz ZRSVUUUJEZSHKK-MOWIGOMVSA-N 1 0 404.511 -0.226 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001022452491 1068584496 /nfs/dbraw/zinc/58/44/96/1068584496.db2.gz NDRUGRWXIRRTGJ-DDVYYSQMSA-N 1 0 404.511 -0.369 20 0 HBADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001022452613 1068584639 /nfs/dbraw/zinc/58/46/39/1068584639.db2.gz OYRWQHDHWWVUMA-BRQRNXEGSA-N 1 0 404.511 -0.241 20 0 HBADRO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001022452614 1068584602 /nfs/dbraw/zinc/58/46/02/1068584602.db2.gz OYRWQHDHWWVUMA-PFNDUONCSA-N 1 0 404.511 -0.241 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001022452762 1068584476 /nfs/dbraw/zinc/58/44/76/1068584476.db2.gz QVFURVJIRACVNI-ABNYHJHQSA-N 1 0 404.511 -0.274 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001022452763 1068584629 /nfs/dbraw/zinc/58/46/29/1068584629.db2.gz QVFURVJIRACVNI-JLWFXMPYSA-N 1 0 404.511 -0.274 20 0 HBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001022454729 1068584977 /nfs/dbraw/zinc/58/49/77/1068584977.db2.gz ZRSVUUUJEZSHKK-ISHOXDSKSA-N 1 0 404.511 -0.226 20 0 HBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001022454731 1068585265 /nfs/dbraw/zinc/58/52/65/1068585265.db2.gz ZRSVUUUJEZSHKK-VBDRTNPFSA-N 1 0 404.511 -0.226 20 0 HBADRO Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001023500464 1068841080 /nfs/dbraw/zinc/84/10/80/1068841080.db2.gz VJTGAKVRKNPQPP-PVHWUHCKSA-N 1 0 402.495 -0.164 20 0 HBADRO Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001023500465 1068841356 /nfs/dbraw/zinc/84/13/56/1068841356.db2.gz VJTGAKVRKNPQPP-QZFZTSDASA-N 1 0 402.495 -0.164 20 0 HBADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2O)cn1 ZINC001023935614 1068907929 /nfs/dbraw/zinc/90/79/29/1068907929.db2.gz YVQJTRRAWAXFFX-CTISPVFFSA-N 1 0 403.483 -0.830 20 0 HBADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2O)n1 ZINC001023955032 1068910289 /nfs/dbraw/zinc/91/02/89/1068910289.db2.gz IFBUMZFRQGKHRU-IUYMENBFSA-N 1 0 403.483 -0.830 20 0 HBADRO Cn1c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001024069643 1068913746 /nfs/dbraw/zinc/91/37/46/1068913746.db2.gz HGRMFUIYFLZTIU-PVHWUHCKSA-N 1 0 402.495 -0.164 20 0 HBADRO Cn1c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001024069644 1068913797 /nfs/dbraw/zinc/91/37/97/1068913797.db2.gz HGRMFUIYFLZTIU-QZFZTSDASA-N 1 0 402.495 -0.164 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001024649299 1068956581 /nfs/dbraw/zinc/95/65/81/1068956581.db2.gz SUBUHSXQGZGQML-PFPDTZPXSA-N 1 0 400.435 -0.313 20 0 HBADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O ZINC001024796018 1068968651 /nfs/dbraw/zinc/96/86/51/1068968651.db2.gz GJRXVDSFPIXJDI-DETOBHCWSA-N 1 0 404.467 -0.499 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001024864017 1068972946 /nfs/dbraw/zinc/97/29/46/1068972946.db2.gz KIIPTKFWCRUCPB-PFPDTZPXSA-N 1 0 400.435 -0.313 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001024893830 1068978787 /nfs/dbraw/zinc/97/87/87/1068978787.db2.gz BXMKZXVBMKAWOC-CXHXORAHSA-N 1 0 409.446 -0.008 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024914331 1068984235 /nfs/dbraw/zinc/98/42/35/1068984235.db2.gz LHAUDNNYJJORBX-CXHXORAHSA-N 1 0 409.446 -0.008 20 0 HBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC001024916933 1068985340 /nfs/dbraw/zinc/98/53/40/1068985340.db2.gz GXCVGAAZXASVII-CTISPVFFSA-N 1 0 403.483 -0.830 20 0 HBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001024917069 1068985875 /nfs/dbraw/zinc/98/58/75/1068985875.db2.gz KDCGRRQUSBNESL-IUYMENBFSA-N 1 0 403.483 -0.830 20 0 HBADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024919250 1068988229 /nfs/dbraw/zinc/98/82/29/1068988229.db2.gz SHYDEUDQJMWISW-CTISPVFFSA-N 1 0 407.511 -0.544 20 0 HBADRO Cn1c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)n(C)c1=O ZINC001025024076 1069000776 /nfs/dbraw/zinc/00/07/76/1069000776.db2.gz FENFJNYHDCEPDB-PVHWUHCKSA-N 1 0 402.495 -0.022 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025061663 1069004812 /nfs/dbraw/zinc/00/48/12/1069004812.db2.gz CBTMFLGGDKJZHR-PFPDTZPXSA-N 1 0 400.435 -0.313 20 0 HBADRO CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025061762 1069005399 /nfs/dbraw/zinc/00/53/99/1069005399.db2.gz FAZJYSVLKAYRGY-DETOBHCWSA-N 1 0 404.467 -0.499 20 0 HBADRO O=C(N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025064183 1069007228 /nfs/dbraw/zinc/00/72/28/1069007228.db2.gz QEENWISCTRQAAG-PFPDTZPXSA-N 1 0 400.435 -0.313 20 0 HBADRO Cn1c(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001027498843 1069221870 /nfs/dbraw/zinc/22/18/70/1069221870.db2.gz OBEZRIBIOCGERJ-PVHWUHCKSA-N 1 0 402.495 -0.070 20 0 HBADRO Cn1c(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001027498844 1069221827 /nfs/dbraw/zinc/22/18/27/1069221827.db2.gz OBEZRIBIOCGERJ-QZFZTSDASA-N 1 0 402.495 -0.070 20 0 HBADRO NC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001028703641 1069666230 /nfs/dbraw/zinc/66/62/30/1069666230.db2.gz IQLKSIPKUXMUMC-PVHWUHCKSA-N 1 0 404.511 -0.428 20 0 HBADRO NC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001028703642 1069666326 /nfs/dbraw/zinc/66/63/26/1069666326.db2.gz IQLKSIPKUXMUMC-QZFZTSDASA-N 1 0 404.511 -0.428 20 0 HBADRO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001028704394 1069667729 /nfs/dbraw/zinc/66/77/29/1069667729.db2.gz YRPZNEYJWCBJPA-SGTQZHETSA-N 1 0 404.511 -0.461 20 0 HBADRO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001028704395 1069667546 /nfs/dbraw/zinc/66/75/46/1069667546.db2.gz YRPZNEYJWCBJPA-UQZKUAJDSA-N 1 0 404.511 -0.461 20 0 HBADRO Cn1c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001029786691 1071317695 /nfs/dbraw/zinc/31/76/95/1071317695.db2.gz BSELAXWXOAIZMH-PVHWUHCKSA-N 1 0 402.495 -0.212 20 0 HBADRO Cn1c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001029786692 1071317773 /nfs/dbraw/zinc/31/77/73/1071317773.db2.gz BSELAXWXOAIZMH-QZFZTSDASA-N 1 0 402.495 -0.212 20 0 HBADRO Cn1c(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001034322284 1069478119 /nfs/dbraw/zinc/47/81/19/1069478119.db2.gz BDCXOIAGZAJTRD-PVHWUHCKSA-N 1 0 402.495 -0.022 20 0 HBADRO Cn1c(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001034322300 1069478051 /nfs/dbraw/zinc/47/80/51/1069478051.db2.gz BDCXOIAGZAJTRD-QZFZTSDASA-N 1 0 402.495 -0.022 20 0 HBADRO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2 ZINC001075434735 1068573242 /nfs/dbraw/zinc/57/32/42/1068573242.db2.gz YMRMYABYPWLVOX-CNRFMZSYSA-N 1 0 402.499 -0.022 20 0 HBADRO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2 ZINC001075434736 1068573096 /nfs/dbraw/zinc/57/30/96/1068573096.db2.gz YMRMYABYPWLVOX-NTCWUJLTSA-N 1 0 402.499 -0.022 20 0 HBADRO Cn1c(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc(=O)n(C)c1=O ZINC001076066827 1070281612 /nfs/dbraw/zinc/28/16/12/1070281612.db2.gz UUWOWIZPGHTHRU-CVWKWFHFSA-N 1 0 400.479 -0.460 20 0 HBADRO CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1=O ZINC001077417200 1070385828 /nfs/dbraw/zinc/38/58/28/1070385828.db2.gz JRALOWYRKOWWIE-ZAJFYCSQSA-N 1 0 406.483 -0.708 20 0 HBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079163160 1069714961 /nfs/dbraw/zinc/71/49/61/1069714961.db2.gz SSGAWKBGKZFUKN-LUMDGCDRSA-N 1 0 418.538 -0.038 20 0 HBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079165187 1069714928 /nfs/dbraw/zinc/71/49/28/1069714928.db2.gz INDOSQNDFOFRQI-KNEKCZJMSA-N 1 0 404.511 -0.139 20 0 HBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079165188 1069715173 /nfs/dbraw/zinc/71/51/73/1069715173.db2.gz INDOSQNDFOFRQI-LUMDGCDRSA-N 1 0 404.511 -0.139 20 0 HBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079165189 1069715091 /nfs/dbraw/zinc/71/50/91/1069715091.db2.gz INDOSQNDFOFRQI-LYPURALISA-N 1 0 404.511 -0.139 20 0 HBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH+](CCO)CC1 ZINC001079165190 1069715070 /nfs/dbraw/zinc/71/50/70/1069715070.db2.gz INDOSQNDFOFRQI-YDWBTVLJSA-N 1 0 404.511 -0.139 20 0 HBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079165852 1069715048 /nfs/dbraw/zinc/71/50/48/1069715048.db2.gz JWYZEIDUIURXDJ-LUMDGCDRSA-N 1 0 418.538 -0.038 20 0 HBADRO CO[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959586 1069723934 /nfs/dbraw/zinc/72/39/34/1069723934.db2.gz NYWLDCRYFFRDJV-PZLJCXPPSA-N 1 0 420.510 -0.054 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)CC1 ZINC001082652009 1069730174 /nfs/dbraw/zinc/73/01/74/1069730174.db2.gz AHBIVTHQPAAUMK-ADEZNJNTSA-N 1 0 404.511 -0.463 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001082652125 1069730601 /nfs/dbraw/zinc/73/06/01/1069730601.db2.gz GQVUDOWTQNSHDW-PPVJBERMSA-N 1 0 404.511 -0.430 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)CC1 ZINC001082653303 1069730719 /nfs/dbraw/zinc/73/07/19/1069730719.db2.gz FALQMHJGZLIMDM-ADEZNJNTSA-N 1 0 418.538 -0.169 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082658165 1069730648 /nfs/dbraw/zinc/73/06/48/1069730648.db2.gz PNGXKRAYOJTVNE-DRRXZNNHSA-N 1 0 401.529 -0.490 20 0 HBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]21 ZINC001083149037 1069745192 /nfs/dbraw/zinc/74/51/92/1069745192.db2.gz VRPVOMHFZCQGPC-MBQAYPMFSA-N 1 0 404.467 -0.737 20 0 HBADRO CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)C1=O ZINC001083654347 1070606437 /nfs/dbraw/zinc/60/64/37/1070606437.db2.gz JRALOWYRKOWWIE-QKMYFLCJSA-N 1 0 406.483 -0.708 20 0 HBADRO Cn1c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc(=O)n(C)c1=O ZINC001084993034 1069828624 /nfs/dbraw/zinc/82/86/24/1069828624.db2.gz HWVLCVYKKMZBRF-IVYTYQSKSA-N 1 0 414.506 -0.070 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001086152387 1070034403 /nfs/dbraw/zinc/03/44/03/1070034403.db2.gz CCCJSHIJOOUUDH-XWEXYQFDSA-N 1 0 404.511 -0.415 20 0 HBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001086152870 1070034283 /nfs/dbraw/zinc/03/42/83/1070034283.db2.gz NXYBPXSCMKOIEB-DWAJMVOZSA-N 1 0 404.511 -0.382 20 0 HBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001086152871 1070034566 /nfs/dbraw/zinc/03/45/66/1070034566.db2.gz NXYBPXSCMKOIEB-IYVASERJSA-N 1 0 404.511 -0.382 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001086153631 1070034491 /nfs/dbraw/zinc/03/44/91/1070034491.db2.gz SJOKDWJRQRIATM-SXQRKYDFSA-N 1 0 404.511 -0.382 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001086432693 1070080358 /nfs/dbraw/zinc/08/03/58/1070080358.db2.gz CCCJSHIJOOUUDH-ZVDAJOARSA-N 1 0 404.511 -0.415 20 0 HBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001086433164 1070080119 /nfs/dbraw/zinc/08/01/19/1070080119.db2.gz NXYBPXSCMKOIEB-FTVVLMGSSA-N 1 0 404.511 -0.382 20 0 HBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001086433165 1070080340 /nfs/dbraw/zinc/08/03/40/1070080340.db2.gz NXYBPXSCMKOIEB-ZDTHTLKFSA-N 1 0 404.511 -0.382 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001086433284 1070080158 /nfs/dbraw/zinc/08/01/58/1070080158.db2.gz SJOKDWJRQRIATM-KERJEIAASA-N 1 0 404.511 -0.382 20 0 HBADRO Cn1c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC001086762903 1070960216 /nfs/dbraw/zinc/96/02/16/1070960216.db2.gz HHXGLRNRBFSISO-GVXURXMUSA-N 1 0 402.495 -0.118 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001086763211 1070960093 /nfs/dbraw/zinc/96/00/93/1070960093.db2.gz YEWCADFGLAFYNC-CESLEGSUSA-N 1 0 418.538 -0.025 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2NCc2nnnn2C)cn1 ZINC001086988212 1071147082 /nfs/dbraw/zinc/14/70/82/1071147082.db2.gz KDDRRXRCXLLLRI-KISBBLTOSA-N 1 0 400.487 -0.157 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2NCc2nc(=O)n(C)[nH]2)cn1 ZINC001086988237 1071147019 /nfs/dbraw/zinc/14/70/19/1071147019.db2.gz LVVWHBNJRZFVAE-BCHHIPDFSA-N 1 0 413.482 -0.651 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2NCc2cnon2)cn1 ZINC001086989214 1071147260 /nfs/dbraw/zinc/14/72/60/1071147260.db2.gz OHUABUHNCUVGKH-OGCZYDBJSA-N 1 0 402.455 -0.061 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2NCc2nc(=O)n(C)[nH]2)cn1 ZINC001086998497 1071147097 /nfs/dbraw/zinc/14/70/97/1071147097.db2.gz PDTLGGCBVLPVAE-LJIZCISZSA-N 1 0 401.471 -0.506 20 0 HBADRO CN1CCC[C@@H]([NH2+]Cc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)C1=O ZINC001087258360 1068905434 /nfs/dbraw/zinc/90/54/34/1068905434.db2.gz HCRYBFVZZODPGP-ITCTVVDESA-N 1 0 401.467 -0.068 20 0 HBADRO CN1CCC[C@H]([NH2+]Cc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)C1=O ZINC001087258361 1068906016 /nfs/dbraw/zinc/90/60/16/1068906016.db2.gz HCRYBFVZZODPGP-SCQTYWGTSA-N 1 0 401.467 -0.068 20 0 HBADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001087665247 1071063756 /nfs/dbraw/zinc/06/37/56/1071063756.db2.gz FMTUXQZQHFVOST-DDVYYSQMSA-N 1 0 402.495 -0.024 20 0 HBADRO Cn1c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]3C2)cc(=O)n(C)c1=O ZINC001088046758 1071194887 /nfs/dbraw/zinc/19/48/87/1071194887.db2.gz MTPUVMZSYGJMQZ-LHLOFPQZSA-N 1 0 414.506 -0.212 20 0 HBADRO Cn1c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]3C2)cc(=O)n(C)c1=O ZINC001088115458 1071238781 /nfs/dbraw/zinc/23/87/81/1071238781.db2.gz SSJAPUFDJGLKNB-PEZLKRJXSA-N 1 0 402.495 -0.068 20 0 HBADRO O=C(C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001088350883 1069027016 /nfs/dbraw/zinc/02/70/16/1069027016.db2.gz KHZQQHCPWSDTIH-UWGWQUPMSA-N 1 0 404.511 -0.271 20 0 HBADRO O=C(C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001088350884 1069027102 /nfs/dbraw/zinc/02/71/02/1069027102.db2.gz KHZQQHCPWSDTIH-YYXZMQKJSA-N 1 0 404.511 -0.271 20 0 HBADRO C[C@@]12CN(CC(=O)N3CCNC(=O)C3)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001091864574 1071147238 /nfs/dbraw/zinc/14/72/38/1071147238.db2.gz ICTPTFVSIDWZNG-YWCZOLQUSA-N 1 0 404.511 -0.460 20 0 HBADRO C[C@@]12CN(CC(=O)N3CCNC(=O)C3)C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001091867522 1071147282 /nfs/dbraw/zinc/14/72/82/1071147282.db2.gz KXTLOVGNBFNJDO-SBWWDHJXSA-N 1 0 402.495 -0.852 20 0 HBADRO Cn1c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@]3(C)C2)cc(=O)n(C)c1=O ZINC001091868845 1071147207 /nfs/dbraw/zinc/14/72/07/1071147207.db2.gz YFQXAFSQBLLUNF-RJUXOHSTSA-N 1 0 414.506 -0.212 20 0 HBADRO Cn1c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@]3(C)C2)cc(=O)n(C)c1=O ZINC001092034984 1071147812 /nfs/dbraw/zinc/14/78/12/1071147812.db2.gz PIBYJJUAJPMKRQ-SSMQKUSXSA-N 1 0 402.495 -0.068 20 0 HBADRO C[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001092841862 1071150177 /nfs/dbraw/zinc/15/01/77/1071150177.db2.gz DPLKZQSFOSFCGQ-ILXNVATRSA-N 1 0 418.538 -0.182 20 0 HBADRO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](C)C2)CC1 ZINC001092842711 1071150375 /nfs/dbraw/zinc/15/03/75/1071150375.db2.gz LMXFIRIZEODMRP-VOIFDKMZSA-N 1 0 418.538 -0.215 20 0 HBADRO C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001092842804 1071150321 /nfs/dbraw/zinc/15/03/21/1071150321.db2.gz QGISBJZAUWJFEP-JBFMPCTHSA-N 1 0 402.495 -0.309 20 0 HBADRO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)n1 ZINC001093930160 1071157020 /nfs/dbraw/zinc/15/70/20/1071157020.db2.gz GFKRAEUZBQXZQZ-BVINOMLHSA-N 1 0 403.483 -0.034 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001093930184 1071157053 /nfs/dbraw/zinc/15/70/53/1071157053.db2.gz HAROFGJXEYJCSP-JBFMPCTHSA-N 1 0 402.495 -0.309 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC[C@@H]12)N1CCNC(=O)C1 ZINC001094474182 1071159972 /nfs/dbraw/zinc/15/99/72/1071159972.db2.gz QJVYEPLCJMSRKE-MSKASUHDSA-N 1 0 416.522 -0.271 20 0 HBADRO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC[C@@H]12)N1CCNC(=O)C1 ZINC001094519557 1071160611 /nfs/dbraw/zinc/16/06/11/1071160611.db2.gz NGHHCUXGLGSFMX-OVNJDOEUSA-N 1 0 404.511 -0.127 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001104434599 1068739916 /nfs/dbraw/zinc/73/99/16/1068739916.db2.gz QGGAPYBIROMQGH-SGPSVCNZSA-N 1 0 404.511 -0.558 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104444244 1068762662 /nfs/dbraw/zinc/76/26/62/1068762662.db2.gz MFQMRABPRZEDQQ-UHDSXZAQSA-N 1 0 403.545 -0.339 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001106455241 1071673949 /nfs/dbraw/zinc/67/39/49/1071673949.db2.gz HXBBICOSSBCVJY-GJDKHYBNSA-N 1 0 418.538 -0.168 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)CC1 ZINC001106455316 1071674061 /nfs/dbraw/zinc/67/40/61/1071674061.db2.gz MQYYKSGARIFEOZ-VOIFDKMZSA-N 1 0 418.538 -0.215 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001106455327 1071674097 /nfs/dbraw/zinc/67/40/97/1071674097.db2.gz NGASUBKBVVQFOJ-ILXNVATRSA-N 1 0 418.538 -0.182 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106461841 1071675767 /nfs/dbraw/zinc/67/57/67/1071675767.db2.gz OWJGIWATZLMKLA-UHDSXZAQSA-N 1 0 403.545 -0.387 20 0 HBADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C ZINC001106464202 1071675814 /nfs/dbraw/zinc/67/58/14/1071675814.db2.gz LPPNZUCMCFYZHE-UHDSXZAQSA-N 1 0 403.545 -0.339 20 0 HBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)C1 ZINC001109301552 1070211862 /nfs/dbraw/zinc/21/18/62/1070211862.db2.gz CVYOPNQLWARSDE-LJIZCISZSA-N 1 0 400.545 -0.096 20 0 HBADRO CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2 ZINC001109302094 1070211699 /nfs/dbraw/zinc/21/16/99/1070211699.db2.gz VMLUAAHWGPBGAW-LJIZCISZSA-N 1 0 400.545 -0.048 20 0 HBADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)O1 ZINC001109442656 1070223574 /nfs/dbraw/zinc/22/35/74/1070223574.db2.gz AGKMNYXTXKLLEF-UHDSXZAQSA-N 1 0 402.561 -0.292 20 0 HBADRO CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109715931 1070253501 /nfs/dbraw/zinc/25/35/01/1070253501.db2.gz KEKKSQPMJDWXEL-CAEXGNQWSA-N 1 0 402.517 -0.978 20 0 HBADRO CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001109721448 1070256068 /nfs/dbraw/zinc/25/60/68/1070256068.db2.gz DYZOGMMNEMCBTL-LEOABGAYSA-N 1 0 400.545 -0.109 20 0 HBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001109721607 1070255917 /nfs/dbraw/zinc/25/59/17/1070255917.db2.gz OIYAQDMNMMSPMT-LEOABGAYSA-N 1 0 400.545 -0.286 20 0 HBADRO CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001109721632 1070255976 /nfs/dbraw/zinc/25/59/76/1070255976.db2.gz PXCTYVFOGWSEQR-LEOABGAYSA-N 1 0 400.545 -0.061 20 0 HBADRO CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001109724264 1070255239 /nfs/dbraw/zinc/25/52/39/1070255239.db2.gz KCMITLITLSHYSK-LEOABGAYSA-N 1 0 400.545 -0.238 20 0 HBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)C1 ZINC001110574298 1071798310 /nfs/dbraw/zinc/79/83/10/1071798310.db2.gz CVYOPNQLWARSDE-QCODTGAPSA-N 1 0 400.545 -0.096 20 0 HBADRO CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2 ZINC001110574522 1071798522 /nfs/dbraw/zinc/79/85/22/1071798522.db2.gz VMLUAAHWGPBGAW-QCODTGAPSA-N 1 0 400.545 -0.048 20 0 HBADRO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)O1 ZINC001110709473 1071837134 /nfs/dbraw/zinc/83/71/34/1071837134.db2.gz AGKMNYXTXKLLEF-OVYGPGRDSA-N 1 0 402.561 -0.292 20 0 HBADRO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)N1CCNC(=O)C1 ZINC001112481862 1068325232 /nfs/dbraw/zinc/32/52/32/1068325232.db2.gz YOENTWLSIIFKPS-OUAXYLIVSA-N 1 0 416.522 -0.414 20 0 HBADRO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)N1CCNC(=O)C1 ZINC001112533117 1069275034 /nfs/dbraw/zinc/27/50/34/1069275034.db2.gz OWCYJYXPSXIGAL-SZDLEDHQSA-N 1 0 404.511 -0.269 20 0 HBADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001125485358 1068460582 /nfs/dbraw/zinc/46/05/82/1068460582.db2.gz IPVBEVYKFUQHFM-ZDUSSCGKSA-N 1 0 400.888 -0.057 20 0 HBADRO NC(=O)c1ncn(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC001125548636 1068568800 /nfs/dbraw/zinc/56/88/00/1068568800.db2.gz VWJBBIDQSQMCCX-INIZCTEOSA-N 1 0 412.498 -0.167 20 0 HBADRO NC(=O)c1ncn(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC001125548641 1068568775 /nfs/dbraw/zinc/56/87/75/1068568775.db2.gz VWJBBIDQSQMCCX-MRXNPFEDSA-N 1 0 412.498 -0.167 20 0 HBADRO Cc1nn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(=O)n1C ZINC001125967772 1069192975 /nfs/dbraw/zinc/19/29/75/1069192975.db2.gz VAXBEYKOMWIUGZ-KRWDZBQOSA-N 1 0 400.483 -0.096 20 0 HBADRO Cc1nn(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(=O)n1C ZINC001125967773 1069192900 /nfs/dbraw/zinc/19/29/00/1069192900.db2.gz VAXBEYKOMWIUGZ-QGZVFWFLSA-N 1 0 400.483 -0.096 20 0 HBADRO COC1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CS(=O)(=O)C1 ZINC001125971159 1069196506 /nfs/dbraw/zinc/19/65/06/1069196506.db2.gz TYPGRNVZOWVGCM-INIZCTEOSA-N 1 0 409.508 -0.186 20 0 HBADRO COC1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CS(=O)(=O)C1 ZINC001125971165 1069196649 /nfs/dbraw/zinc/19/66/49/1069196649.db2.gz TYPGRNVZOWVGCM-MRXNPFEDSA-N 1 0 409.508 -0.186 20 0 HBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCCC(=O)C1=O ZINC001127183231 1070974529 /nfs/dbraw/zinc/97/45/29/1070974529.db2.gz BPVZBZLSZBFQRZ-KRWDZBQOSA-N 1 0 402.495 -0.027 20 0 HBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC001127580376 1072097545 /nfs/dbraw/zinc/09/75/45/1072097545.db2.gz GREDVZLJVSBPLG-CVEARBPZSA-N 1 0 410.500 -0.321 20 0 HBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC001127580377 1072097695 /nfs/dbraw/zinc/09/76/95/1072097695.db2.gz GREDVZLJVSBPLG-HOTGVXAUSA-N 1 0 410.500 -0.321 20 0 HBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC001127580378 1072097583 /nfs/dbraw/zinc/09/75/83/1072097583.db2.gz GREDVZLJVSBPLG-HZPDHXFCSA-N 1 0 410.500 -0.321 20 0 HBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 ZINC001127580379 1072097782 /nfs/dbraw/zinc/09/77/82/1072097782.db2.gz GREDVZLJVSBPLG-JKSUJKDBSA-N 1 0 410.500 -0.321 20 0 HBADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC001128012130 1069114170 /nfs/dbraw/zinc/11/41/70/1069114170.db2.gz XWKJTVLEOBPIBZ-BBWFWOEESA-N 1 0 414.572 -0.305 20 0 HBADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC001128012131 1069113853 /nfs/dbraw/zinc/11/38/53/1069113853.db2.gz XWKJTVLEOBPIBZ-GVDBMIGSSA-N 1 0 414.572 -0.305 20 0 HBADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC001128012132 1069114031 /nfs/dbraw/zinc/11/40/31/1069114031.db2.gz XWKJTVLEOBPIBZ-ULQDDVLXSA-N 1 0 414.572 -0.305 20 0 HBADRO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC001128012133 1069114272 /nfs/dbraw/zinc/11/42/72/1069114272.db2.gz XWKJTVLEOBPIBZ-YESZJQIVSA-N 1 0 414.572 -0.305 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)[C@H]1c1nccn1C ZINC001128174692 1069215070 /nfs/dbraw/zinc/21/50/70/1069215070.db2.gz GXPYZHPDRFKLHD-NJAFHUGGSA-N 1 0 406.531 -0.149 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)[C@H]1c1nccn1C ZINC001128174693 1069214921 /nfs/dbraw/zinc/21/49/21/1069214921.db2.gz GXPYZHPDRFKLHD-SZMVWBNQSA-N 1 0 406.531 -0.149 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001128387944 1069283200 /nfs/dbraw/zinc/28/32/00/1069283200.db2.gz ZUTSVSVHCHZWGI-INIZCTEOSA-N 1 0 420.514 -0.588 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001128387945 1069283120 /nfs/dbraw/zinc/28/31/20/1069283120.db2.gz ZUTSVSVHCHZWGI-MRXNPFEDSA-N 1 0 420.514 -0.588 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(C)(=O)=O)oc1C ZINC001128491887 1069348690 /nfs/dbraw/zinc/34/86/90/1069348690.db2.gz GMTBGEFRSZJGHT-UHFFFAOYSA-N 1 0 401.485 -0.146 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001128492933 1069352554 /nfs/dbraw/zinc/35/25/54/1069352554.db2.gz XPOUMHPEOHRXBH-PHZGNYQRSA-N 1 0 401.529 -0.409 20 0 HBADRO C[NH+]1CCC(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)(N2CCOCC2)CC1 ZINC001129720218 1070561407 /nfs/dbraw/zinc/56/14/07/1070561407.db2.gz MFLGBESZHBVGBR-UHFFFAOYSA-N 1 0 423.539 -0.603 20 0 HBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)CN3CCC(=O)NC3=O)cc2)CC1 ZINC001129740467 1070562632 /nfs/dbraw/zinc/56/26/32/1070562632.db2.gz CYECTYMBURQVFK-UHFFFAOYSA-N 1 0 401.467 -0.058 20 0 HBADRO COC1(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CS(=O)(=O)C1 ZINC001129742566 1070563344 /nfs/dbraw/zinc/56/33/44/1070563344.db2.gz KXODZFUIXAETGG-UHFFFAOYSA-N 1 0 409.508 -0.186 20 0 HBADRO C[NH+]1CCC(CNC(=O)Cn2nnc3ccccc3c2=O)(N2CCOCC2)CC1 ZINC001129846204 1070565183 /nfs/dbraw/zinc/56/51/83/1070565183.db2.gz APECYWXZKYYSNZ-UHFFFAOYSA-N 1 0 400.483 -0.296 20 0 HBADRO C[NH+]1CCC(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)(N2CCOCC2)CC1 ZINC001129848546 1070565856 /nfs/dbraw/zinc/56/58/56/1070565856.db2.gz VSIDWNMMBMGNIG-UHFFFAOYSA-N 1 0 423.539 -0.603 20 0 HBADRO COC(=O)c1cccn(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1=O ZINC001129851992 1070565699 /nfs/dbraw/zinc/56/56/99/1070565699.db2.gz QXZSESOUCBUNKI-UHFFFAOYSA-N 1 0 406.483 -0.452 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1 ZINC001129858544 1070565755 /nfs/dbraw/zinc/56/57/55/1070565755.db2.gz ZBABAEVIDWXAMR-JKJDWNRSSA-N 1 0 401.471 -0.323 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)Nc1cnccn1 ZINC001129937609 1070571387 /nfs/dbraw/zinc/57/13/87/1070571387.db2.gz BKWOFIZFNBQZKT-OKCUJJGMSA-N 1 0 424.465 -0.528 20 0 HBADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937613 1070571199 /nfs/dbraw/zinc/57/11/99/1070571199.db2.gz BRAWOVSJRIQVLJ-WZSRKYPNSA-N 1 0 418.498 -0.804 20 0 HBADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937615 1070571473 /nfs/dbraw/zinc/57/14/73/1070571473.db2.gz BRMPLLFUODJPRV-AXSMETJDSA-N 1 0 423.539 -0.132 20 0 HBADRO CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937667 1070571346 /nfs/dbraw/zinc/57/13/46/1070571346.db2.gz DORZRKKYHUVVFV-WZSRKYPNSA-N 1 0 402.499 -0.089 20 0 HBADRO CN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)C1CC1 ZINC001129937855 1070571446 /nfs/dbraw/zinc/57/14/46/1070571446.db2.gz IHCUKMVCVXQARU-WZSRKYPNSA-N 1 0 400.483 -0.336 20 0 HBADRO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937902 1070571111 /nfs/dbraw/zinc/57/11/11/1070571111.db2.gz JZURZWHRKYJBSJ-WZSRKYPNSA-N 1 0 402.499 -0.185 20 0 HBADRO CS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937920 1070571250 /nfs/dbraw/zinc/57/12/50/1070571250.db2.gz KONVVPGCRMLXPZ-KDNLLOOPSA-N 1 0 409.512 -0.522 20 0 HBADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937930 1070571174 /nfs/dbraw/zinc/57/11/74/1070571174.db2.gz KYHXDGIIOLTEQF-WZSRKYPNSA-N 1 0 418.498 -0.804 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)NCC1CCC1 ZINC001129938071 1070571434 /nfs/dbraw/zinc/57/14/34/1070571434.db2.gz LLAHIHSICJRXAX-FGIYMWPYSA-N 1 0 414.510 -0.041 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)Nc1ccon1 ZINC001129938089 1070571296 /nfs/dbraw/zinc/57/12/96/1070571296.db2.gz LTMYYRXABNFIIX-MXYUDHFUSA-N 1 0 413.438 -0.330 20 0 HBADRO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938146 1070571408 /nfs/dbraw/zinc/57/14/08/1070571408.db2.gz ORCBMOLRJWVJED-FGIYMWPYSA-N 1 0 414.510 -0.089 20 0 HBADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938161 1070571494 /nfs/dbraw/zinc/57/14/94/1070571494.db2.gz PDRILFQEUBYUGV-AXSMETJDSA-N 1 0 417.514 -0.249 20 0 HBADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938218 1070572042 /nfs/dbraw/zinc/57/20/42/1070572042.db2.gz RNWDYTRKDUAZEM-FTBKSCEHSA-N 1 0 402.499 -0.042 20 0 HBADRO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938286 1070572153 /nfs/dbraw/zinc/57/21/53/1070572153.db2.gz UUIFKGNXIZZCOF-WZSRKYPNSA-N 1 0 402.499 -0.041 20 0 HBADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938366 1070572005 /nfs/dbraw/zinc/57/20/05/1070572005.db2.gz VSEFGUCCTRLPJS-KNEKCZJMSA-N 1 0 418.498 -0.804 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)NCC1CC1 ZINC001129938389 1070571761 /nfs/dbraw/zinc/57/17/61/1070571761.db2.gz WRFQZXITJZQWEV-WZSRKYPNSA-N 1 0 400.483 -0.431 20 0 HBADRO O=C(NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1)C1CC1 ZINC001129938420 1070571831 /nfs/dbraw/zinc/57/18/31/1070571831.db2.gz XQOHFEISTNEGOG-AXSMETJDSA-N 1 0 400.483 -0.431 20 0 HBADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938422 1070571978 /nfs/dbraw/zinc/57/19/78/1070571978.db2.gz XTJOYWDZFXQNJD-WZSRKYPNSA-N 1 0 402.499 -0.090 20 0 HBADRO O=C(NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1)C1CC1 ZINC001129939658 1070572116 /nfs/dbraw/zinc/57/21/16/1070572116.db2.gz QJHOJQMEOGGLGX-IECFSIQFSA-N 1 0 402.499 -0.039 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1)NCC1CC1 ZINC001129939689 1070572088 /nfs/dbraw/zinc/57/20/88/1070572088.db2.gz RQEDOXABCSLSOK-YUAHOQAQSA-N 1 0 402.499 -0.039 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129940977 1070571951 /nfs/dbraw/zinc/57/19/51/1070571951.db2.gz CVZXGECWWRWHMC-RBZJEDDUSA-N 1 0 403.487 -0.099 20 0 HBADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1)Nc1ccon1 ZINC001130014099 1070577578 /nfs/dbraw/zinc/57/75/78/1070577578.db2.gz BDVIOMFBRAIKEG-ZSAUSMIDSA-N 1 0 401.427 -0.186 20 0 HBADRO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130223037 1070602047 /nfs/dbraw/zinc/60/20/47/1070602047.db2.gz KSRLSLDHTNWJAL-BQPVFAOMSA-N 1 0 404.471 -0.948 20 0 HBADRO CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130223159 1070602111 /nfs/dbraw/zinc/60/21/11/1070602111.db2.gz OVPKMEMJLYVCKN-ZRGUGPCDSA-N 1 0 418.498 -0.558 20 0 HBADRO CN(C)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130223447 1070601936 /nfs/dbraw/zinc/60/19/36/1070601936.db2.gz UVJYVGGGUVUKRE-ZRGUGPCDSA-N 1 0 418.498 -0.605 20 0 HBADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOCCO)[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130223641 1070602087 /nfs/dbraw/zinc/60/20/87/1070602087.db2.gz ZOAPUHMZTLSDOV-ZTOOVHTFSA-N 1 0 421.498 -0.685 20 0 HBADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOCCO)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130293127 1070607878 /nfs/dbraw/zinc/60/78/78/1070607878.db2.gz MKVBBXDVXKWPAQ-QAGZKXQMSA-N 1 0 421.538 -0.106 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O ZINC001130497378 1070627889 /nfs/dbraw/zinc/62/78/89/1070627889.db2.gz SMVFNJKOBDEKDP-UHFFFAOYSA-N 1 0 424.523 -0.447 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130628446 1070638462 /nfs/dbraw/zinc/63/84/62/1070638462.db2.gz RONIKRDAAYIMIB-PBYRECKOSA-N 1 0 416.482 -0.817 20 0 HBADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2[NH2+]CCNS(C)(=O)=O)c1 ZINC001130628496 1070639959 /nfs/dbraw/zinc/63/99/59/1070639959.db2.gz UNVAESNHTBGZHT-BZDNYCRLSA-N 1 0 423.539 -0.723 20 0 HBADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2[NH2+]CCS(C)(=O)=O)c1 ZINC001130628573 1070639995 /nfs/dbraw/zinc/63/99/95/1070639995.db2.gz ZAGDLNFZOUTITP-BZDNYCRLSA-N 1 0 408.524 -0.228 20 0 HBADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2[NH2+]CC(=O)NC(N)=O)c1 ZINC001130630587 1070639879 /nfs/dbraw/zinc/63/98/79/1070639879.db2.gz PIVASFHUGUMICO-QMHOLRBPSA-N 1 0 404.471 -0.686 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1 ZINC001130680536 1070645267 /nfs/dbraw/zinc/64/52/67/1070645267.db2.gz VZTHSSOJVZZXJW-QUEVPRLRSA-N 1 0 404.471 -0.673 20 0 HBADRO CCN1C(=O)c2ccc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2S1(=O)=O ZINC001130707053 1070647637 /nfs/dbraw/zinc/64/76/37/1070647637.db2.gz JKIQUGICZRKGEM-UHFFFAOYSA-N 1 0 408.480 -0.303 20 0 HBADRO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001130707485 1070655463 /nfs/dbraw/zinc/65/54/63/1070655463.db2.gz WFBJGQJKOUUEBU-UHFFFAOYSA-N 1 0 420.514 -0.508 20 0 HBADRO Cn1ncc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1I ZINC001130707509 1070655348 /nfs/dbraw/zinc/65/53/48/1070655348.db2.gz WVURROUPYZTSHO-UHFFFAOYSA-N 1 0 405.240 -0.129 20 0 HBADRO O=C(NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOCCO)O2)n[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130792575 1070675248 /nfs/dbraw/zinc/67/52/48/1070675248.db2.gz KXJVJEIIIRBDSH-CQZDKXCPSA-N 1 0 421.498 -0.337 20 0 HBADRO CCn1c(=O)c2ccccc2n(CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1=O ZINC001130806134 1070675356 /nfs/dbraw/zinc/67/53/56/1070675356.db2.gz DAWDINJNPAQIDB-UHFFFAOYSA-N 1 0 403.483 -0.339 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001131008760 1070700457 /nfs/dbraw/zinc/70/04/57/1070700457.db2.gz BPZUDBABMQZHGQ-UHFFFAOYSA-N 1 0 415.494 -0.463 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC001131008895 1070700515 /nfs/dbraw/zinc/70/05/15/1070700515.db2.gz FZDSUSYPDGMDLV-NRFANRHFSA-N 1 0 415.494 -0.142 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC001131008896 1070700420 /nfs/dbraw/zinc/70/04/20/1070700420.db2.gz FZDSUSYPDGMDLV-OAQYLSRUSA-N 1 0 415.494 -0.142 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001131009583 1070700389 /nfs/dbraw/zinc/70/03/89/1070700389.db2.gz SNLQYDSCPSQANX-UHFFFAOYSA-N 1 0 416.500 -0.608 20 0 HBADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001131031181 1070703295 /nfs/dbraw/zinc/70/32/95/1070703295.db2.gz KYLSKTNPONLUMY-CNUKPYSBSA-N 1 0 404.471 -0.686 20 0 HBADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001131035491 1070703857 /nfs/dbraw/zinc/70/38/57/1070703857.db2.gz CTXCAAUAHWZCLR-UMAXZENGSA-N 1 0 408.524 -0.228 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cncn1C ZINC001131035921 1070703755 /nfs/dbraw/zinc/70/37/55/1070703755.db2.gz UDXHJXORMHKTIX-BIPJRYNTSA-N 1 0 416.482 -0.817 20 0 HBADRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001131038510 1070704367 /nfs/dbraw/zinc/70/43/67/1070704367.db2.gz VUINYZJXULVMFN-UMAXZENGSA-N 1 0 423.539 -0.723 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C ZINC001131074010 1070713227 /nfs/dbraw/zinc/71/32/27/1070713227.db2.gz UYFAJTAONWJGDW-PAURTPPISA-N 1 0 404.471 -0.673 20 0 HBADRO CNC(=O)[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1 ZINC001131517539 1070740829 /nfs/dbraw/zinc/74/08/29/1070740829.db2.gz SRTXQSHCXVOHCO-DGUWLTKGSA-N 1 0 400.479 -0.281 20 0 HBADRO CNC(=O)[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1 ZINC001131517540 1070740970 /nfs/dbraw/zinc/74/09/70/1070740970.db2.gz SRTXQSHCXVOHCO-KQHFAPEESA-N 1 0 400.479 -0.281 20 0 HBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001131533371 1070742775 /nfs/dbraw/zinc/74/27/75/1070742775.db2.gz AITBIBFMZIUWFM-WTPKRDNOSA-N 1 0 420.510 -0.149 20 0 HBADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001131533556 1070742708 /nfs/dbraw/zinc/74/27/08/1070742708.db2.gz MCZQKGXBVDOBJE-XUGVXITMSA-N 1 0 406.483 -0.410 20 0 HBADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001132760418 1070806449 /nfs/dbraw/zinc/80/64/49/1070806449.db2.gz CGPIXNBKRQEAIJ-HBFSDRIKSA-N 1 0 406.483 -0.215 20 0 HBADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001132760419 1070805958 /nfs/dbraw/zinc/80/59/58/1070805958.db2.gz CGPIXNBKRQEAIJ-WSTZPKSXSA-N 1 0 406.483 -0.215 20 0 HBADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC001132761135 1070806046 /nfs/dbraw/zinc/80/60/46/1070806046.db2.gz NTSRAHMVVCYGJE-KRWDZBQOSA-N 1 0 400.501 -0.492 20 0 HBADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC001132761136 1070806294 /nfs/dbraw/zinc/80/62/94/1070806294.db2.gz NTSRAHMVVCYGJE-QGZVFWFLSA-N 1 0 400.501 -0.492 20 0 HBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC001132908113 1070812600 /nfs/dbraw/zinc/81/26/00/1070812600.db2.gz YZGDZIOGSQMAFC-UHFFFAOYSA-N 1 0 421.523 -0.184 20 0 HBADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307001 1070883281 /nfs/dbraw/zinc/88/32/81/1070883281.db2.gz DNIDCZIOWFBYPE-CABCVRRESA-N 1 0 412.512 -0.479 20 0 HBADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307006 1070883352 /nfs/dbraw/zinc/88/33/52/1070883352.db2.gz DNIDCZIOWFBYPE-GJZGRUSLSA-N 1 0 412.512 -0.479 20 0 HBADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307007 1070883662 /nfs/dbraw/zinc/88/36/62/1070883662.db2.gz DNIDCZIOWFBYPE-HUUCEWRRSA-N 1 0 412.512 -0.479 20 0 HBADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307008 1070883521 /nfs/dbraw/zinc/88/35/21/1070883521.db2.gz DNIDCZIOWFBYPE-LSDHHAIUSA-N 1 0 412.512 -0.479 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001135673135 1070954327 /nfs/dbraw/zinc/95/43/27/1070954327.db2.gz XMBRXXOEKNQOMK-KRWDZBQOSA-N 1 0 407.490 -0.518 20 0 HBADRO C[NH+]1CCN(CCCNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001135673136 1070954399 /nfs/dbraw/zinc/95/43/99/1070954399.db2.gz XMBRXXOEKNQOMK-QGZVFWFLSA-N 1 0 407.490 -0.518 20 0 HBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(CC[NH+]4CCCC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001135693871 1070955612 /nfs/dbraw/zinc/95/56/12/1070955612.db2.gz ZNJLJFMXLIYRFT-KZNAEPCWSA-N 1 0 404.515 -0.850 20 0 HBADRO CN1CC[N@H+](C)CC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1 ZINC001135785827 1070961588 /nfs/dbraw/zinc/96/15/88/1070961588.db2.gz GODCVQWJZQUDHM-UHFFFAOYSA-N 1 0 404.540 -0.106 20 0 HBADRO C[NH+]1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001135847679 1070962910 /nfs/dbraw/zinc/96/29/10/1070962910.db2.gz JIVHRSXQKMYGBK-UHFFFAOYSA-N 1 0 416.569 -0.129 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001135908957 1070965212 /nfs/dbraw/zinc/96/52/12/1070965212.db2.gz VNNXGBPYXDIIEQ-KRWDZBQOSA-N 1 0 423.558 -0.061 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001135908958 1070965102 /nfs/dbraw/zinc/96/51/02/1070965102.db2.gz VNNXGBPYXDIIEQ-QGZVFWFLSA-N 1 0 423.558 -0.061 20 0 HBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001135909032 1070965143 /nfs/dbraw/zinc/96/51/43/1070965143.db2.gz YPIYQVNAFJTAHL-UHFFFAOYSA-N 1 0 409.491 -0.351 20 0 HBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)CC2)c1 ZINC001135962350 1070966734 /nfs/dbraw/zinc/96/67/34/1070966734.db2.gz PANDAOJCZJRPMZ-QGZVFWFLSA-N 1 0 414.514 -0.185 20 0 HBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001135975126 1070967271 /nfs/dbraw/zinc/96/72/71/1070967271.db2.gz DBNXZORHABZRFN-DZGCQCFKSA-N 1 0 404.558 -0.518 20 0 HBADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001135975127 1070967159 /nfs/dbraw/zinc/96/71/59/1070967159.db2.gz DBNXZORHABZRFN-HIFRSBDPSA-N 1 0 404.558 -0.518 20 0 HBADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001135975128 1070967303 /nfs/dbraw/zinc/96/73/03/1070967303.db2.gz DBNXZORHABZRFN-UKRRQHHQSA-N 1 0 404.558 -0.518 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001135975129 1070967224 /nfs/dbraw/zinc/96/72/24/1070967224.db2.gz DBNXZORHABZRFN-ZFWWWQNUSA-N 1 0 404.558 -0.518 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187738 1070977303 /nfs/dbraw/zinc/97/73/03/1070977303.db2.gz KWNSGUBSIAWGIF-CVEARBPZSA-N 1 0 400.545 -0.834 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187739 1070977093 /nfs/dbraw/zinc/97/70/93/1070977093.db2.gz KWNSGUBSIAWGIF-HOTGVXAUSA-N 1 0 400.545 -0.834 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187740 1070977020 /nfs/dbraw/zinc/97/70/20/1070977020.db2.gz KWNSGUBSIAWGIF-HZPDHXFCSA-N 1 0 400.545 -0.834 20 0 HBADRO CN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187741 1070977178 /nfs/dbraw/zinc/97/71/78/1070977178.db2.gz KWNSGUBSIAWGIF-JKSUJKDBSA-N 1 0 400.545 -0.834 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H]1c1nccn1C ZINC001136188137 1070976947 /nfs/dbraw/zinc/97/69/47/1070976947.db2.gz XXTKEUYJDCGXHB-ROUUACIJSA-N 1 0 406.531 -0.148 20 0 HBADRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C[N@@H+]2C1 ZINC001136201583 1070978663 /nfs/dbraw/zinc/97/86/63/1070978663.db2.gz NYUFOUNJRPOACJ-FGTMMUONSA-N 1 0 413.588 -0.257 20 0 HBADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C[N@@H+]2C1 ZINC001136201584 1070978746 /nfs/dbraw/zinc/97/87/46/1070978746.db2.gz NYUFOUNJRPOACJ-KURKYZTESA-N 1 0 413.588 -0.257 20 0 HBADRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C[N@@H+]2C1 ZINC001136201585 1070978436 /nfs/dbraw/zinc/97/84/36/1070978436.db2.gz NYUFOUNJRPOACJ-KZNAEPCWSA-N 1 0 413.588 -0.257 20 0 HBADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C[N@@H+]2C1 ZINC001136201586 1070978365 /nfs/dbraw/zinc/97/83/65/1070978365.db2.gz NYUFOUNJRPOACJ-SQNIBIBYSA-N 1 0 413.588 -0.257 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001136201782 1070978419 /nfs/dbraw/zinc/97/84/19/1070978419.db2.gz WCWNRXOOMLZRDB-DLBZAZTESA-N 1 0 401.577 -0.257 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001136201783 1070978652 /nfs/dbraw/zinc/97/86/52/1070978652.db2.gz WCWNRXOOMLZRDB-IAGOWNOFSA-N 1 0 401.577 -0.257 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001136201784 1070978520 /nfs/dbraw/zinc/97/85/20/1070978520.db2.gz WCWNRXOOMLZRDB-IRXDYDNUSA-N 1 0 401.577 -0.257 20 0 HBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001136201785 1070978427 /nfs/dbraw/zinc/97/84/27/1070978427.db2.gz WCWNRXOOMLZRDB-SJORKVTESA-N 1 0 401.577 -0.257 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001136235123 1070981506 /nfs/dbraw/zinc/98/15/06/1070981506.db2.gz HOERNNPMWVKZMB-KPZWWZAWSA-N 1 0 423.495 -0.444 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001136235124 1070981565 /nfs/dbraw/zinc/98/15/65/1070981565.db2.gz HOERNNPMWVKZMB-KZULUSFZSA-N 1 0 423.495 -0.444 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001136235125 1070981698 /nfs/dbraw/zinc/98/16/98/1070981698.db2.gz HOERNNPMWVKZMB-SGTLLEGYSA-N 1 0 423.495 -0.444 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001136235126 1070981767 /nfs/dbraw/zinc/98/17/67/1070981767.db2.gz HOERNNPMWVKZMB-XIKOKIGWSA-N 1 0 423.495 -0.444 20 0 HBADRO CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001136235203 1070982363 /nfs/dbraw/zinc/98/23/63/1070982363.db2.gz JGANWBQEVHMRTR-INIZCTEOSA-N 1 0 402.561 -0.446 20 0 HBADRO CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136235204 1070982401 /nfs/dbraw/zinc/98/24/01/1070982401.db2.gz JGANWBQEVHMRTR-MRXNPFEDSA-N 1 0 402.561 -0.446 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001136236878 1070985288 /nfs/dbraw/zinc/98/52/88/1070985288.db2.gz KGYNQLGLLFUPGB-HKUYNNGSSA-N 1 0 411.524 -0.080 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001136236879 1070985022 /nfs/dbraw/zinc/98/50/22/1070985022.db2.gz KGYNQLGLLFUPGB-IEBWSBKVSA-N 1 0 411.524 -0.080 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001136236880 1070985194 /nfs/dbraw/zinc/98/51/94/1070985194.db2.gz KGYNQLGLLFUPGB-MJGOQNOKSA-N 1 0 411.524 -0.080 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001136236881 1070985340 /nfs/dbraw/zinc/98/53/40/1070985340.db2.gz KGYNQLGLLFUPGB-PKOBYXMFSA-N 1 0 411.524 -0.080 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001136251258 1070986028 /nfs/dbraw/zinc/98/60/28/1070986028.db2.gz WQOBQJHOARWXAM-KBPBESRZSA-N 1 0 421.564 -0.137 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001136251259 1070986243 /nfs/dbraw/zinc/98/62/43/1070986243.db2.gz WQOBQJHOARWXAM-KGLIPLIRSA-N 1 0 421.564 -0.137 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001136251260 1070986038 /nfs/dbraw/zinc/98/60/38/1070986038.db2.gz WQOBQJHOARWXAM-UONOGXRCSA-N 1 0 421.564 -0.137 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001136251261 1070986250 /nfs/dbraw/zinc/98/62/50/1070986250.db2.gz WQOBQJHOARWXAM-ZIAGYGMSSA-N 1 0 421.564 -0.137 20 0 HBADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001136317467 1070992756 /nfs/dbraw/zinc/99/27/56/1070992756.db2.gz ORXRKXPIJNQGMK-CVEARBPZSA-N 1 0 421.585 -0.231 20 0 HBADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001136317468 1070992534 /nfs/dbraw/zinc/99/25/34/1070992534.db2.gz ORXRKXPIJNQGMK-HOTGVXAUSA-N 1 0 421.585 -0.231 20 0 HBADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001136317469 1070992637 /nfs/dbraw/zinc/99/26/37/1070992637.db2.gz ORXRKXPIJNQGMK-HZPDHXFCSA-N 1 0 421.585 -0.231 20 0 HBADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001136317470 1070992678 /nfs/dbraw/zinc/99/26/78/1070992678.db2.gz ORXRKXPIJNQGMK-JKSUJKDBSA-N 1 0 421.585 -0.231 20 0 HBADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC001136317699 1070993240 /nfs/dbraw/zinc/99/32/40/1070993240.db2.gz XBNVYXIYENDLNF-AWEZNQCLSA-N 1 0 407.558 -0.478 20 0 HBADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC001136317700 1070993277 /nfs/dbraw/zinc/99/32/77/1070993277.db2.gz XBNVYXIYENDLNF-CQSZACIVSA-N 1 0 407.558 -0.478 20 0 HBADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC001136323495 1070994058 /nfs/dbraw/zinc/99/40/58/1070994058.db2.gz DIXKAMHCGKFFJA-HNNXBMFYSA-N 1 0 403.526 -0.175 20 0 HBADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC001136323496 1070994154 /nfs/dbraw/zinc/99/41/54/1070994154.db2.gz DIXKAMHCGKFFJA-OAHLLOKOSA-N 1 0 403.526 -0.175 20 0 HBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001136325937 1070993956 /nfs/dbraw/zinc/99/39/56/1070993956.db2.gz NXJFNKJVLDAWIF-UHFFFAOYSA-N 1 0 420.510 -0.303 20 0 HBADRO CN1CC[N@H+](C)CC(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC001136365977 1070996674 /nfs/dbraw/zinc/99/66/74/1070996674.db2.gz QOPBKTCUUDHSKL-UHFFFAOYSA-N 1 0 420.539 -0.111 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001136419693 1071001619 /nfs/dbraw/zinc/00/16/19/1071001619.db2.gz NNLMOEJOZHLFIB-INIZCTEOSA-N 1 0 418.560 -0.466 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001136419694 1071001519 /nfs/dbraw/zinc/00/15/19/1071001519.db2.gz NNLMOEJOZHLFIB-MRXNPFEDSA-N 1 0 418.560 -0.466 20 0 HBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001136428054 1071001332 /nfs/dbraw/zinc/00/13/32/1071001332.db2.gz JBUBPIODNNGLMS-UHFFFAOYSA-N 1 0 419.592 -0.333 20 0 HBADRO CN1CCn2nc(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)cc2S1(=O)=O ZINC001136472833 1071003252 /nfs/dbraw/zinc/00/32/52/1071003252.db2.gz RUAPZCRJAKNEMI-UHFFFAOYSA-N 1 0 419.511 -0.406 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001136491348 1071004347 /nfs/dbraw/zinc/00/43/47/1071004347.db2.gz NUDUQKQSIRGEGO-UHFFFAOYSA-N 1 0 411.528 -0.470 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1c1nccn1C ZINC001136516778 1071004901 /nfs/dbraw/zinc/00/49/01/1071004901.db2.gz IEDDUEGSYOCYLN-PVAVHDDUSA-N 1 0 420.514 -0.588 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1c1nccn1C ZINC001136516779 1071005267 /nfs/dbraw/zinc/00/52/67/1071005267.db2.gz IEDDUEGSYOCYLN-XIRDDKMYSA-N 1 0 420.514 -0.588 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cn1 ZINC001136517166 1071005307 /nfs/dbraw/zinc/00/53/07/1071005307.db2.gz TVCCNCOEDLTNCR-CVEARBPZSA-N 1 0 420.514 -0.414 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cn1 ZINC001136517167 1071004939 /nfs/dbraw/zinc/00/49/39/1071004939.db2.gz TVCCNCOEDLTNCR-HOTGVXAUSA-N 1 0 420.514 -0.414 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cn1 ZINC001136517168 1071005101 /nfs/dbraw/zinc/00/51/01/1071005101.db2.gz TVCCNCOEDLTNCR-HZPDHXFCSA-N 1 0 420.514 -0.414 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cn1 ZINC001136517169 1071004846 /nfs/dbraw/zinc/00/48/46/1071004846.db2.gz TVCCNCOEDLTNCR-JKSUJKDBSA-N 1 0 420.514 -0.414 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1c1ccnn1C ZINC001136517324 1071005157 /nfs/dbraw/zinc/00/51/57/1071005157.db2.gz XLYDSBOVXOYPIW-OLMNPRSZSA-N 1 0 420.514 -0.588 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1c1ccnn1C ZINC001136517325 1071005815 /nfs/dbraw/zinc/00/58/15/1071005815.db2.gz XLYDSBOVXOYPIW-QGTPRVQTSA-N 1 0 420.514 -0.588 20 0 HBADRO CN(C)S(=O)(=O)NCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001136544162 1071006188 /nfs/dbraw/zinc/00/61/88/1071006188.db2.gz LOEANBRVUYNIPA-UHFFFAOYSA-N 1 0 411.528 -0.239 20 0 HBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC001136557465 1071007023 /nfs/dbraw/zinc/00/70/23/1071007023.db2.gz DVFXMTZKLCFSKO-ROUUACIJSA-N 1 0 422.501 -0.096 20 0 HBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC001136557466 1071007170 /nfs/dbraw/zinc/00/71/70/1071007170.db2.gz DVFXMTZKLCFSKO-ZWKOTPCHSA-N 1 0 422.501 -0.096 20 0 HBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001136563408 1071007699 /nfs/dbraw/zinc/00/76/99/1071007699.db2.gz AMZMPVDWTGTWRH-GASCZTMLSA-N 1 0 420.514 -0.545 20 0 HBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001136563409 1071007469 /nfs/dbraw/zinc/00/74/69/1071007469.db2.gz AMZMPVDWTGTWRH-GJZGRUSLSA-N 1 0 420.514 -0.545 20 0 HBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001136563410 1071007509 /nfs/dbraw/zinc/00/75/09/1071007509.db2.gz AMZMPVDWTGTWRH-HUUCEWRRSA-N 1 0 420.514 -0.545 20 0 HBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001136565936 1071007282 /nfs/dbraw/zinc/00/72/82/1071007282.db2.gz PVASKERRTLKKLB-HNNXBMFYSA-N 1 0 400.487 -0.262 20 0 HBADRO CC[N@H+](CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC001136592138 1071008247 /nfs/dbraw/zinc/00/82/47/1071008247.db2.gz OVOZOSBDPOQRRF-UHFFFAOYSA-N 1 0 403.526 -0.031 20 0 HBADRO C[NH+](C)C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136606279 1071008523 /nfs/dbraw/zinc/00/85/23/1071008523.db2.gz VJADBRSVDQNAKO-CYBMUJFWSA-N 1 0 403.526 -0.079 20 0 HBADRO C[NH+](C)C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136606280 1071008379 /nfs/dbraw/zinc/00/83/79/1071008379.db2.gz VJADBRSVDQNAKO-ZDUSSCGKSA-N 1 0 403.526 -0.079 20 0 HBADRO NS(=O)(=O)c1nc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n2ccccc12 ZINC001136610029 1071008686 /nfs/dbraw/zinc/00/86/86/1071008686.db2.gz LQHJKSYVPHZQAW-UHFFFAOYSA-N 1 0 420.495 -0.638 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC001136627371 1071009288 /nfs/dbraw/zinc/00/92/88/1071009288.db2.gz GTXXQINIHZTOAJ-HNNXBMFYSA-N 1 0 415.535 -0.604 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC001136627372 1071009366 /nfs/dbraw/zinc/00/93/66/1071009366.db2.gz GTXXQINIHZTOAJ-OAHLLOKOSA-N 1 0 415.535 -0.604 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001136629606 1071009426 /nfs/dbraw/zinc/00/94/26/1071009426.db2.gz QZTAEDPVXUEUIE-KRWDZBQOSA-N 1 0 408.474 -0.025 20 0 HBADRO CN1CC[NH+](CC2CCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)CC2)CC1 ZINC001136645677 1071011372 /nfs/dbraw/zinc/01/13/72/1071011372.db2.gz QWJMTSOJTQOCBY-UHFFFAOYSA-N 1 0 410.544 -0.383 20 0 HBADRO C[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC001136650789 1071011468 /nfs/dbraw/zinc/01/14/68/1071011468.db2.gz LIWVABQNMHPXIS-CRAIPNDOSA-N 1 0 421.517 -0.272 20 0 HBADRO C[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC001136650790 1071011518 /nfs/dbraw/zinc/01/15/18/1071011518.db2.gz LIWVABQNMHPXIS-MAUKXSAKSA-N 1 0 421.517 -0.272 20 0 HBADRO C[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC001136650791 1071011193 /nfs/dbraw/zinc/01/11/93/1071011193.db2.gz LIWVABQNMHPXIS-QAPCUYQASA-N 1 0 421.517 -0.272 20 0 HBADRO C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC001136650792 1071011011 /nfs/dbraw/zinc/01/10/11/1071011011.db2.gz LIWVABQNMHPXIS-YJBOKZPZSA-N 1 0 421.517 -0.272 20 0 HBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001136651662 1071011072 /nfs/dbraw/zinc/01/10/72/1071011072.db2.gz PXUHGBGWZGHARV-DZOHQFGASA-N 1 0 406.531 -0.700 20 0 HBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001136651663 1071011315 /nfs/dbraw/zinc/01/13/15/1071011315.db2.gz PXUHGBGWZGHARV-VDHUWJSZSA-N 1 0 406.531 -0.700 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001136657477 1071011981 /nfs/dbraw/zinc/01/19/81/1071011981.db2.gz SKLQZTAEIKVHBY-BRWVUGGUSA-N 1 0 421.498 -0.698 20 0 HBADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001136658034 1071012217 /nfs/dbraw/zinc/01/22/17/1071012217.db2.gz LBPRETJNKNOVDW-UHFFFAOYSA-N 1 0 413.500 -0.478 20 0 HBADRO CN(C)c1nc(N)nc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC001136659495 1071011832 /nfs/dbraw/zinc/01/18/32/1071011832.db2.gz GXEPKXGGHFIGLX-UHFFFAOYSA-N 1 0 404.519 -0.026 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136660587 1071013718 /nfs/dbraw/zinc/01/37/18/1071013718.db2.gz VPDJDMXBNUDGCL-PBHICJAKSA-N 1 0 407.490 -0.058 20 0 HBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136660588 1071013287 /nfs/dbraw/zinc/01/32/87/1071013287.db2.gz VPDJDMXBNUDGCL-RHSMWYFYSA-N 1 0 407.490 -0.058 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136660589 1071013572 /nfs/dbraw/zinc/01/35/72/1071013572.db2.gz VPDJDMXBNUDGCL-WMLDXEAASA-N 1 0 407.490 -0.058 20 0 HBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136660590 1071013612 /nfs/dbraw/zinc/01/36/12/1071013612.db2.gz VPDJDMXBNUDGCL-YOEHRIQHSA-N 1 0 407.490 -0.058 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC001136669914 1071014756 /nfs/dbraw/zinc/01/47/56/1071014756.db2.gz UYWRUVVGSBPADX-ACJLOTCBSA-N 1 0 412.512 -0.115 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC001136669915 1071015008 /nfs/dbraw/zinc/01/50/08/1071015008.db2.gz UYWRUVVGSBPADX-FZKQIMNGSA-N 1 0 412.512 -0.115 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC001136669916 1071015136 /nfs/dbraw/zinc/01/51/36/1071015136.db2.gz UYWRUVVGSBPADX-SCLBCKFNSA-N 1 0 412.512 -0.115 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC001136669917 1071014828 /nfs/dbraw/zinc/01/48/28/1071014828.db2.gz UYWRUVVGSBPADX-UGSOOPFHSA-N 1 0 412.512 -0.115 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001136684900 1071015763 /nfs/dbraw/zinc/01/57/63/1071015763.db2.gz CPGNVFUTVRIGIR-HNNXBMFYSA-N 1 0 409.462 -0.676 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC001136685137 1071015981 /nfs/dbraw/zinc/01/59/81/1071015981.db2.gz MNIHPRZIHKLUGO-UHFFFAOYSA-N 1 0 421.523 -0.075 20 0 HBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1=NN(CCO)C(=O)CC1 ZINC001136689657 1071016194 /nfs/dbraw/zinc/01/61/94/1071016194.db2.gz OPNGEFKGTPPFHG-UHFFFAOYSA-N 1 0 403.487 -0.534 20 0 HBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccnn2CC[NH+](C)C)c1 ZINC001136711341 1071016524 /nfs/dbraw/zinc/01/65/24/1071016524.db2.gz QEFZIDKQYXMZLF-UHFFFAOYSA-N 1 0 408.484 -0.279 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001136725785 1071016983 /nfs/dbraw/zinc/01/69/83/1071016983.db2.gz ASNUESBVDDJYEV-MNEFBYGVSA-N 1 0 418.542 -0.007 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1nccn1C ZINC001136725786 1071016675 /nfs/dbraw/zinc/01/66/75/1071016675.db2.gz ASNUESBVDDJYEV-SNRMKQJTSA-N 1 0 418.542 -0.007 20 0 HBADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC001136743019 1071016808 /nfs/dbraw/zinc/01/68/08/1071016808.db2.gz GHTXUGQJYBWORA-CYBMUJFWSA-N 1 0 400.476 -0.391 20 0 HBADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC001136743020 1071017195 /nfs/dbraw/zinc/01/71/95/1071017195.db2.gz GHTXUGQJYBWORA-ZDUSSCGKSA-N 1 0 400.476 -0.391 20 0 HBADRO CN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1c1cccnc1 ZINC001136743043 1071017388 /nfs/dbraw/zinc/01/73/88/1071017388.db2.gz GNOIZBJEKMTMJB-RLLQIKCJSA-N 1 0 417.510 -0.497 20 0 HBADRO CN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1c1cccnc1 ZINC001136743044 1071017117 /nfs/dbraw/zinc/01/71/17/1071017117.db2.gz GNOIZBJEKMTMJB-SXLOBPIMSA-N 1 0 417.510 -0.497 20 0 HBADRO O=C(N[C@@H](CO)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC001136743452 1071017311 /nfs/dbraw/zinc/01/73/11/1071017311.db2.gz RPJIFASHONBTGL-MSOLQXFVSA-N 1 0 408.474 -0.561 20 0 HBADRO O=C(N[C@@H](CO)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC001136743453 1071016752 /nfs/dbraw/zinc/01/67/52/1071016752.db2.gz RPJIFASHONBTGL-ROUUACIJSA-N 1 0 408.474 -0.561 20 0 HBADRO O=C(N[C@@H](CO)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)OCc1ccccc1 ZINC001136743560 1071017251 /nfs/dbraw/zinc/01/72/51/1071017251.db2.gz VGRBUGWQJXUWFL-MOPGFXCFSA-N 1 0 420.510 -0.204 20 0 HBADRO O=C(N[C@@H](CO)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)OCc1ccccc1 ZINC001136743561 1071016861 /nfs/dbraw/zinc/01/68/61/1071016861.db2.gz VGRBUGWQJXUWFL-OALUTQOASA-N 1 0 420.510 -0.204 20 0 HBADRO O=C(N[C@H](CO)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)OCc1ccccc1 ZINC001136743562 1071017039 /nfs/dbraw/zinc/01/70/39/1071017039.db2.gz VGRBUGWQJXUWFL-RBUKOAKNSA-N 1 0 420.510 -0.204 20 0 HBADRO O=C(N[C@H](CO)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)OCc1ccccc1 ZINC001136743563 1071017446 /nfs/dbraw/zinc/01/74/46/1071017446.db2.gz VGRBUGWQJXUWFL-RTBURBONSA-N 1 0 420.510 -0.204 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC001136751527 1071017823 /nfs/dbraw/zinc/01/78/23/1071017823.db2.gz LORVVCASWWSGEY-APWZRJJASA-N 1 0 410.540 -0.306 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC001136751528 1071017701 /nfs/dbraw/zinc/01/77/01/1071017701.db2.gz LORVVCASWWSGEY-LPHOPBHVSA-N 1 0 410.540 -0.306 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC001136751529 1071017963 /nfs/dbraw/zinc/01/79/63/1071017963.db2.gz LORVVCASWWSGEY-QFBILLFUSA-N 1 0 410.540 -0.306 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC001136751530 1071018242 /nfs/dbraw/zinc/01/82/42/1071018242.db2.gz LORVVCASWWSGEY-VQIMIIECSA-N 1 0 410.540 -0.306 20 0 HBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001136768016 1071019061 /nfs/dbraw/zinc/01/90/61/1071019061.db2.gz KXFCLYMMAYBJLV-CQSZACIVSA-N 1 0 414.470 -0.358 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832649 1071020166 /nfs/dbraw/zinc/02/01/66/1071020166.db2.gz POQFSCYYODFRAW-BEFAXECRSA-N 1 0 409.508 -0.170 20 0 HBADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832650 1071021092 /nfs/dbraw/zinc/02/10/92/1071021092.db2.gz POQFSCYYODFRAW-DNVCBOLYSA-N 1 0 409.508 -0.170 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832651 1071020652 /nfs/dbraw/zinc/02/06/52/1071020652.db2.gz POQFSCYYODFRAW-HNAYVOBHSA-N 1 0 409.508 -0.170 20 0 HBADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832652 1071020403 /nfs/dbraw/zinc/02/04/03/1071020403.db2.gz POQFSCYYODFRAW-KXBFYZLASA-N 1 0 409.508 -0.170 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cn1 ZINC001136833437 1071020925 /nfs/dbraw/zinc/02/09/25/1071020925.db2.gz PIYOUXRHGLPSMQ-SJORKVTESA-N 1 0 408.503 -0.621 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001136850379 1071020887 /nfs/dbraw/zinc/02/08/87/1071020887.db2.gz RXEHFTNWRPWIDK-HNNXBMFYSA-N 1 0 418.560 -0.562 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001136850380 1071020994 /nfs/dbraw/zinc/02/09/94/1071020994.db2.gz RXEHFTNWRPWIDK-OAHLLOKOSA-N 1 0 418.560 -0.562 20 0 HBADRO CN1CC[N@H+](C)CC(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC001136852191 1071020736 /nfs/dbraw/zinc/02/07/36/1071020736.db2.gz UMGXNJBDRZFFEN-UHFFFAOYSA-N 1 0 402.561 -0.431 20 0 HBADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136874322 1071021647 /nfs/dbraw/zinc/02/16/47/1071021647.db2.gz LFTLLGQPYUPPIT-PBHICJAKSA-N 1 0 423.539 -0.829 20 0 HBADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001136874323 1071021301 /nfs/dbraw/zinc/02/13/01/1071021301.db2.gz LFTLLGQPYUPPIT-RHSMWYFYSA-N 1 0 423.539 -0.829 20 0 HBADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001136874324 1071021242 /nfs/dbraw/zinc/02/12/42/1071021242.db2.gz LFTLLGQPYUPPIT-WMLDXEAASA-N 1 0 423.539 -0.829 20 0 HBADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136874325 1071021708 /nfs/dbraw/zinc/02/17/08/1071021708.db2.gz LFTLLGQPYUPPIT-YOEHRIQHSA-N 1 0 423.539 -0.829 20 0 HBADRO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1C[N@H+](C)CCN1C ZINC001136875017 1071021892 /nfs/dbraw/zinc/02/18/92/1071021892.db2.gz WDXICLIMMHYJFV-PBHICJAKSA-N 1 0 413.544 -0.590 20 0 HBADRO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1C[N@H+](C)CCN1C ZINC001136875018 1071021360 /nfs/dbraw/zinc/02/13/60/1071021360.db2.gz WDXICLIMMHYJFV-RHSMWYFYSA-N 1 0 413.544 -0.590 20 0 HBADRO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1C[N@H+](C)CCN1C ZINC001136875019 1071021593 /nfs/dbraw/zinc/02/15/93/1071021593.db2.gz WDXICLIMMHYJFV-WMLDXEAASA-N 1 0 413.544 -0.590 20 0 HBADRO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1C[N@H+](C)CCN1C ZINC001136875020 1071022342 /nfs/dbraw/zinc/02/23/42/1071022342.db2.gz WDXICLIMMHYJFV-YOEHRIQHSA-N 1 0 413.544 -0.590 20 0 HBADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)CC1 ZINC001136925010 1071023122 /nfs/dbraw/zinc/02/31/22/1071023122.db2.gz GGUOFAXXTUGCLA-UHFFFAOYSA-N 1 0 405.503 -0.442 20 0 HBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001136948051 1071024066 /nfs/dbraw/zinc/02/40/66/1071024066.db2.gz QNAQXFGMYTUXLG-JLAWEPINSA-N 1 0 408.543 -0.073 20 0 HBADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001136948052 1071023962 /nfs/dbraw/zinc/02/39/62/1071023962.db2.gz QNAQXFGMYTUXLG-XBMUEBEBSA-N 1 0 408.543 -0.073 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)CC1 ZINC001137047034 1071031820 /nfs/dbraw/zinc/03/18/20/1071031820.db2.gz ANAOYSKFRFMFDS-UHFFFAOYSA-N 1 0 415.516 -0.121 20 0 HBADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001137071488 1071883366 /nfs/dbraw/zinc/88/33/66/1071883366.db2.gz UMKMGTSDOCWWJW-INIZCTEOSA-N 1 0 400.545 -0.091 20 0 HBADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001137071489 1071883120 /nfs/dbraw/zinc/88/31/20/1071883120.db2.gz UMKMGTSDOCWWJW-MRXNPFEDSA-N 1 0 400.545 -0.091 20 0 HBADRO NC(=O)c1cn(CCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(=O)[nH]c1=O ZINC001137077329 1071883716 /nfs/dbraw/zinc/88/37/16/1071883716.db2.gz NZYZIJMJXCOBNW-UHFFFAOYSA-N 1 0 407.471 -0.459 20 0 HBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001137164848 1071891988 /nfs/dbraw/zinc/89/19/88/1071891988.db2.gz NFVHLOVQAMDDAN-UHFFFAOYSA-N 1 0 405.565 -0.533 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001137164951 1071892039 /nfs/dbraw/zinc/89/20/39/1071892039.db2.gz QKJUXZVOMHMDNW-UHFFFAOYSA-N 1 0 403.487 -0.366 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCN1CCOCC1 ZINC001137643082 1070752999 /nfs/dbraw/zinc/75/29/99/1070752999.db2.gz WRWIISJKKNYBBJ-INIZCTEOSA-N 1 0 402.536 -0.016 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCN1CCOCC1 ZINC001137643083 1070753160 /nfs/dbraw/zinc/75/31/60/1070753160.db2.gz WRWIISJKKNYBBJ-MRXNPFEDSA-N 1 0 402.536 -0.016 20 0 HBADRO Cc1nnc(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)o1 ZINC001142004037 1071266184 /nfs/dbraw/zinc/26/61/84/1071266184.db2.gz CSJKOXCJGMYCMM-UHFFFAOYSA-N 1 0 409.428 -0.301 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2ccn(C)n2)c2nonc21 ZINC001142082422 1071472052 /nfs/dbraw/zinc/47/20/52/1071472052.db2.gz LNLRMSKGPYZQMR-UHFFFAOYSA-N 1 0 407.456 -0.259 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCS(C)(=O)=O)c2nonc21 ZINC001142535969 1069385547 /nfs/dbraw/zinc/38/55/47/1069385547.db2.gz FOZQXANUNWKGMX-UHFFFAOYSA-N 1 0 419.485 -0.801 20 0 HBADRO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142536302 1069385648 /nfs/dbraw/zinc/38/56/48/1069385648.db2.gz LGVLRLXKWVFEKA-CUINURIISA-N 1 0 423.576 -0.283 20 0 HBADRO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142536309 1069385484 /nfs/dbraw/zinc/38/54/84/1069385484.db2.gz LGVLRLXKWVFEKA-JBJRXJHCSA-N 1 0 423.576 -0.283 20 0 HBADRO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142536312 1069385758 /nfs/dbraw/zinc/38/57/58/1069385758.db2.gz LGVLRLXKWVFEKA-WAXYHTEFSA-N 1 0 423.576 -0.283 20 0 HBADRO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142536316 1069385704 /nfs/dbraw/zinc/38/57/04/1069385704.db2.gz LGVLRLXKWVFEKA-WLRQEKSISA-N 1 0 423.576 -0.283 20 0 HBADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001142587939 1070090211 /nfs/dbraw/zinc/09/02/11/1070090211.db2.gz IQTOJIWBJRJBEB-DEORAPPZSA-N 1 0 400.497 -0.143 20 0 HBADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001142587940 1070090321 /nfs/dbraw/zinc/09/03/21/1070090321.db2.gz IQTOJIWBJRJBEB-QSGXVVIFSA-N 1 0 400.497 -0.143 20 0 HBADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001142587941 1070090037 /nfs/dbraw/zinc/09/00/37/1070090037.db2.gz IQTOJIWBJRJBEB-WJNMYVKJSA-N 1 0 400.497 -0.143 20 0 HBADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001142587942 1070089902 /nfs/dbraw/zinc/08/99/02/1070089902.db2.gz IQTOJIWBJRJBEB-XNJHUCFUSA-N 1 0 400.497 -0.143 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C3C[NH+](C)C3)CC2)c2nonc21 ZINC001142595881 1070114114 /nfs/dbraw/zinc/11/41/14/1070114114.db2.gz RISCJOKGOHKZNQ-UHFFFAOYSA-N 1 0 408.484 -0.317 20 0 HBADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001142609562 1070137923 /nfs/dbraw/zinc/13/79/23/1070137923.db2.gz LSBQWZREUYWOSP-GOSISDBHSA-N 1 0 400.527 -0.126 20 0 HBADRO O=C(CN1CCNC(=O)C1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001142609563 1070138262 /nfs/dbraw/zinc/13/82/62/1070138262.db2.gz LSBQWZREUYWOSP-SFHVURJKSA-N 1 0 400.527 -0.126 20 0 HBADRO O=C([C@H]1[C@@H]2COC[C@@H]21)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001142640462 1070225757 /nfs/dbraw/zinc/22/57/57/1070225757.db2.gz YYFWFQCTPYZRBF-AALSBFMBSA-N 1 0 404.492 -0.290 20 0 HBADRO CC(C)C1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCC1 ZINC001142654404 1070262783 /nfs/dbraw/zinc/26/27/83/1070262783.db2.gz OBOZQWKCSYMSOV-NDLNZWKESA-N 1 0 406.443 -0.780 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001143353874 1071031845 /nfs/dbraw/zinc/03/18/45/1071031845.db2.gz QQGIUXFOAKXJHL-IRXDYDNUSA-N 1 0 423.558 -0.158 20 0 HBADRO C[NH+](C)CCn1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC001143438849 1068662574 /nfs/dbraw/zinc/66/25/74/1068662574.db2.gz GWYKKJDWKGRDTO-UHFFFAOYSA-N 1 0 400.487 -0.297 20 0 HBADRO C[NH+](C)CCn1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC001143439043 1068663407 /nfs/dbraw/zinc/66/34/07/1068663407.db2.gz JOAIZXWSXIFOMA-UHFFFAOYSA-N 1 0 400.487 -0.297 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001143469385 1069004836 /nfs/dbraw/zinc/00/48/36/1069004836.db2.gz GENVVIBIRCPVDH-CVEARBPZSA-N 1 0 411.528 -0.070 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001143469388 1069004860 /nfs/dbraw/zinc/00/48/60/1069004860.db2.gz GENVVIBIRCPVDH-HOTGVXAUSA-N 1 0 411.528 -0.070 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001143469393 1069004925 /nfs/dbraw/zinc/00/49/25/1069004925.db2.gz GENVVIBIRCPVDH-HZPDHXFCSA-N 1 0 411.528 -0.070 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001143469395 1069004749 /nfs/dbraw/zinc/00/47/49/1069004749.db2.gz GENVVIBIRCPVDH-JKSUJKDBSA-N 1 0 411.528 -0.070 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC001143470868 1069009722 /nfs/dbraw/zinc/00/97/22/1069009722.db2.gz OZZPPKFCPZDEPJ-HNNXBMFYSA-N 1 0 400.545 -0.740 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCS1(=O)=O)CC2 ZINC001143470869 1069009639 /nfs/dbraw/zinc/00/96/39/1069009639.db2.gz OZZPPKFCPZDEPJ-OAHLLOKOSA-N 1 0 400.545 -0.740 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)C2 ZINC001143667378 1071032615 /nfs/dbraw/zinc/03/26/15/1071032615.db2.gz ZVOKGSJMXQASJX-CUWPLCDZSA-N 1 0 400.479 -0.429 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)C2 ZINC001143667379 1071032407 /nfs/dbraw/zinc/03/24/07/1071032407.db2.gz ZVOKGSJMXQASJX-DSKINZAPSA-N 1 0 400.479 -0.429 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)C2 ZINC001143667380 1071032359 /nfs/dbraw/zinc/03/23/59/1071032359.db2.gz ZVOKGSJMXQASJX-LMNJBCLMSA-N 1 0 400.479 -0.429 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)C2 ZINC001143667381 1071032524 /nfs/dbraw/zinc/03/25/24/1071032524.db2.gz ZVOKGSJMXQASJX-QFUCXCTJSA-N 1 0 400.479 -0.429 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@]1(C(N)=O)CCOC1 ZINC001143669558 1071032458 /nfs/dbraw/zinc/03/24/58/1071032458.db2.gz SPQVJLIKUINPMR-GOSISDBHSA-N 1 0 412.512 -0.401 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001143669559 1071032580 /nfs/dbraw/zinc/03/25/80/1071032580.db2.gz SPQVJLIKUINPMR-SFHVURJKSA-N 1 0 412.512 -0.401 20 0 HBADRO CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]1c1cccnc1 ZINC001143775663 1071033567 /nfs/dbraw/zinc/03/35/67/1071033567.db2.gz CELHYEHMGQQCEG-UXHICEINSA-N 1 0 415.494 -0.254 20 0 HBADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143775887 1071033765 /nfs/dbraw/zinc/03/37/65/1071033765.db2.gz DWSONGOCTGEOQO-UHFFFAOYSA-N 1 0 409.531 -0.438 20 0 HBADRO NS(=O)(=O)c1ccc(OCCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001143776578 1071033811 /nfs/dbraw/zinc/03/38/11/1071033811.db2.gz RDGGWKCFPWLJSK-UHFFFAOYSA-N 1 0 424.523 -0.131 20 0 HBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001143994184 1071038089 /nfs/dbraw/zinc/03/80/89/1071038089.db2.gz HZOODJDXEONPTP-SFHVURJKSA-N 1 0 422.501 -0.096 20 0 HBADRO CNC(=O)/C=C/C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144083012 1071039371 /nfs/dbraw/zinc/03/93/71/1071039371.db2.gz IYISQIRTYQEZLO-DNBZIPOLSA-N 1 0 405.480 -0.880 20 0 HBADRO CN(C(=O)COC1CC[NH+](C)CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001144084744 1071039131 /nfs/dbraw/zinc/03/91/31/1071039131.db2.gz LKVHSUQRNWKKHP-UHFFFAOYSA-N 1 0 409.575 -0.206 20 0 HBADRO COC(=O)/C=C/C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144098758 1071039758 /nfs/dbraw/zinc/03/97/58/1071039758.db2.gz VVWIRHOBZWURMJ-XCARSMKHSA-N 1 0 406.464 -0.453 20 0 HBADRO CN(CC(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1)C(N)=[NH2+] ZINC001144130690 1071040428 /nfs/dbraw/zinc/04/04/28/1071040428.db2.gz OSXWKQQUMIBURO-YQQAZPJKSA-N 1 0 402.499 -0.181 20 0 HBADRO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2c2ccccc2)C1=O ZINC001144131042 1071040544 /nfs/dbraw/zinc/04/05/44/1071040544.db2.gz RYWMIIDBFMNUBP-HRAATJIYSA-N 1 0 414.510 -0.255 20 0 HBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144132255 1071040471 /nfs/dbraw/zinc/04/04/71/1071040471.db2.gz KYCIXTUPWLBECP-CYBMUJFWSA-N 1 0 401.533 -0.367 20 0 HBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144132256 1071040555 /nfs/dbraw/zinc/04/05/55/1071040555.db2.gz KYCIXTUPWLBECP-ZDUSSCGKSA-N 1 0 401.533 -0.367 20 0 HBADRO CN(CC(=O)N1CCCn2c(nc(CNC(=O)c3ccco3)cc2=O)C1)C(N)=[NH2+] ZINC001144132274 1071040491 /nfs/dbraw/zinc/04/04/91/1071040491.db2.gz LMCRMSFRNOTFRS-UHFFFAOYSA-N 1 0 401.427 -0.676 20 0 HBADRO CN(CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1)C(N)=[NH2+] ZINC001144132436 1071040398 /nfs/dbraw/zinc/04/03/98/1071040398.db2.gz QVQPIHWXVPPFNL-IXDOHACOSA-N 1 0 402.499 -0.181 20 0 HBADRO CN(CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)C(N)=[NH2+] ZINC001144132491 1071040499 /nfs/dbraw/zinc/04/04/99/1071040499.db2.gz UHDDMFQHBIHJQH-GJYPPUQNSA-N 1 0 421.523 -0.562 20 0 HBADRO CN(CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(N)=[NH2+] ZINC001144144495 1071040481 /nfs/dbraw/zinc/04/04/81/1071040481.db2.gz YNUMNZHFLMOCMO-ZDUSSCGKSA-N 1 0 408.434 -0.071 20 0 HBADRO CN(CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)OC(C)(C)C)CCC2)C(N)=[NH2+] ZINC001144144664 1071040456 /nfs/dbraw/zinc/04/04/56/1071040456.db2.gz ZPOPSXRVHXRTBH-UHFFFAOYSA-N 1 0 407.475 -0.174 20 0 HBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)CN(C)C(N)=[NH2+])ccc12 ZINC001144149159 1071041121 /nfs/dbraw/zinc/04/11/21/1071041121.db2.gz HHPBQGKNERYUOG-UHFFFAOYSA-N 1 0 402.411 -0.902 20 0 HBADRO CC(=O)O[C@@H](C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144154592 1071041202 /nfs/dbraw/zinc/04/12/02/1071041202.db2.gz PFANWQJWNKEBJC-NZVBXONLSA-N 1 0 408.480 -0.231 20 0 HBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001144189464 1071041490 /nfs/dbraw/zinc/04/14/90/1071041490.db2.gz CFISYRJUCQFWHR-DZGCQCFKSA-N 1 0 418.585 -0.082 20 0 HBADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001144189465 1071041593 /nfs/dbraw/zinc/04/15/93/1071041593.db2.gz CFISYRJUCQFWHR-HIFRSBDPSA-N 1 0 418.585 -0.082 20 0 HBADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001144189466 1071041680 /nfs/dbraw/zinc/04/16/80/1071041680.db2.gz CFISYRJUCQFWHR-UKRRQHHQSA-N 1 0 418.585 -0.082 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001144189467 1071041530 /nfs/dbraw/zinc/04/15/30/1071041530.db2.gz CFISYRJUCQFWHR-ZFWWWQNUSA-N 1 0 418.585 -0.082 20 0 HBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001144203799 1071042763 /nfs/dbraw/zinc/04/27/63/1071042763.db2.gz DROBKVIJTVZSDT-KZNAEPCWSA-N 1 0 406.531 -0.605 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C[NH+]1CCN(C)CC1 ZINC001144209503 1071042264 /nfs/dbraw/zinc/04/22/64/1071042264.db2.gz IRDDLFHOIFLNPX-CVEARBPZSA-N 1 0 412.556 -0.041 20 0 HBADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C[NH+]1CCN(C)CC1 ZINC001144209504 1071042208 /nfs/dbraw/zinc/04/22/08/1071042208.db2.gz IRDDLFHOIFLNPX-HOTGVXAUSA-N 1 0 412.556 -0.041 20 0 HBADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C[NH+]1CCN(C)CC1 ZINC001144209505 1071042009 /nfs/dbraw/zinc/04/20/09/1071042009.db2.gz IRDDLFHOIFLNPX-HZPDHXFCSA-N 1 0 412.556 -0.041 20 0 HBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC001144209506 1071042158 /nfs/dbraw/zinc/04/21/58/1071042158.db2.gz IRDDLFHOIFLNPX-JKSUJKDBSA-N 1 0 412.556 -0.041 20 0 HBADRO C[C@H](CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)C[NH+]1CCN(C)CC1 ZINC001144210111 1071042136 /nfs/dbraw/zinc/04/21/36/1071042136.db2.gz NVECYILSKNTAKU-FMKPAKJESA-N 1 0 418.585 -0.225 20 0 HBADRO C[C@H](CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)C[NH+]1CCN(C)CC1 ZINC001144210112 1071041991 /nfs/dbraw/zinc/04/19/91/1071041991.db2.gz NVECYILSKNTAKU-IIAWOOMASA-N 1 0 418.585 -0.225 20 0 HBADRO C[C@H](CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)C[NH+]1CCN(C)CC1 ZINC001144210113 1071042303 /nfs/dbraw/zinc/04/23/03/1071042303.db2.gz NVECYILSKNTAKU-IJEWVQPXSA-N 1 0 418.585 -0.225 20 0 HBADRO C[C@H](CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)C[NH+]1CCN(C)CC1 ZINC001144210114 1071042186 /nfs/dbraw/zinc/04/21/86/1071042186.db2.gz NVECYILSKNTAKU-YCPHGPKFSA-N 1 0 418.585 -0.225 20 0 HBADRO C[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC001144210126 1071042235 /nfs/dbraw/zinc/04/22/35/1071042235.db2.gz NZXSNBXONHJJLK-PBHICJAKSA-N 1 0 407.490 -0.201 20 0 HBADRO C[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC001144210127 1071042026 /nfs/dbraw/zinc/04/20/26/1071042026.db2.gz NZXSNBXONHJJLK-RHSMWYFYSA-N 1 0 407.490 -0.201 20 0 HBADRO C[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC001144210128 1071042351 /nfs/dbraw/zinc/04/23/51/1071042351.db2.gz NZXSNBXONHJJLK-WMLDXEAASA-N 1 0 407.490 -0.201 20 0 HBADRO C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C[NH+]1CCN(C)CC1 ZINC001144210129 1071042089 /nfs/dbraw/zinc/04/20/89/1071042089.db2.gz NZXSNBXONHJJLK-YOEHRIQHSA-N 1 0 407.490 -0.201 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2=O)cn1 ZINC001144210448 1071042072 /nfs/dbraw/zinc/04/20/72/1071042072.db2.gz UWWFRQDTBLTRRB-DLBZAZTESA-N 1 0 406.531 -0.118 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2=O)cn1 ZINC001144210449 1071042400 /nfs/dbraw/zinc/04/24/00/1071042400.db2.gz UWWFRQDTBLTRRB-IAGOWNOFSA-N 1 0 406.531 -0.118 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2=O)cn1 ZINC001144210450 1071042377 /nfs/dbraw/zinc/04/23/77/1071042377.db2.gz UWWFRQDTBLTRRB-IRXDYDNUSA-N 1 0 406.531 -0.118 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2=O)cn1 ZINC001144210451 1071042116 /nfs/dbraw/zinc/04/21/16/1071042116.db2.gz UWWFRQDTBLTRRB-SJORKVTESA-N 1 0 406.531 -0.118 20 0 HBADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001144221084 1071043449 /nfs/dbraw/zinc/04/34/49/1071043449.db2.gz WCKUFKSZXASOMG-KZNAEPCWSA-N 1 0 406.531 -0.700 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001144246360 1071043364 /nfs/dbraw/zinc/04/33/64/1071043364.db2.gz HUTIAHJJWKGMEP-UONOGXRCSA-N 1 0 411.480 -0.596 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001144246563 1071043307 /nfs/dbraw/zinc/04/33/07/1071043307.db2.gz JMVWFGSGZWUOKQ-JKSUJKDBSA-N 1 0 410.496 -0.457 20 0 HBADRO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001144246565 1071043464 /nfs/dbraw/zinc/04/34/64/1071043464.db2.gz JOXOWQAEUYNFGX-HWMZRRJGSA-N 1 0 413.471 -0.773 20 0 HBADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001144246819 1071043492 /nfs/dbraw/zinc/04/34/92/1071043492.db2.gz VXUDVEWHFGLLIL-VHSXEESVSA-N 1 0 404.286 -0.013 20 0 HBADRO COCCN1C(=O)c2ccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2S1(=O)=O ZINC001144246984 1071043399 /nfs/dbraw/zinc/04/33/99/1071043399.db2.gz ZUCQHHVBSMCGDB-UONOGXRCSA-N 1 0 409.464 -0.632 20 0 HBADRO CS(=O)(=O)N1CC(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC001144294654 1071044004 /nfs/dbraw/zinc/04/40/04/1071044004.db2.gz YRQGRUNWSFUHSZ-UHFFFAOYSA-N 1 0 400.545 -0.282 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 ZINC001144302084 1071043959 /nfs/dbraw/zinc/04/39/59/1071043959.db2.gz YVZKLLGYWLKNHT-KBNUPFEYSA-N 1 0 418.454 -0.780 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001144302085 1071044117 /nfs/dbraw/zinc/04/41/17/1071044117.db2.gz YVZKLLGYWLKNHT-LTUMLOOZSA-N 1 0 418.454 -0.780 20 0 HBADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001144325505 1071045804 /nfs/dbraw/zinc/04/58/04/1071045804.db2.gz CUAVVSCJARTMIO-UGUYLWEFSA-N 1 0 401.471 -0.422 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001144326914 1071046295 /nfs/dbraw/zinc/04/62/95/1071046295.db2.gz ARBRTVLLJQISTA-ZDUSSCGKSA-N 1 0 424.483 -0.224 20 0 HBADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001144331444 1071044491 /nfs/dbraw/zinc/04/44/91/1071044491.db2.gz JNDVKMKEWTUOSO-ZDUSSCGKSA-N 1 0 407.452 -0.570 20 0 HBADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001144333648 1071045445 /nfs/dbraw/zinc/04/54/45/1071045445.db2.gz UNTZLCQSAPEUAE-AWEZNQCLSA-N 1 0 409.450 -0.036 20 0 HBADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144336555 1071045407 /nfs/dbraw/zinc/04/54/07/1071045407.db2.gz WMKCCMYHUDSBSB-NSHDSACASA-N 1 0 410.394 -0.485 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC001144359621 1071047269 /nfs/dbraw/zinc/04/72/69/1071047269.db2.gz URTMXPSZCTWNLX-FXAWDEMLSA-N 1 0 424.567 -0.127 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC001144359622 1071047223 /nfs/dbraw/zinc/04/72/23/1071047223.db2.gz URTMXPSZCTWNLX-PXNSSMCTSA-N 1 0 424.567 -0.127 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC001144359623 1071047332 /nfs/dbraw/zinc/04/73/32/1071047332.db2.gz URTMXPSZCTWNLX-XLIONFOSSA-N 1 0 424.567 -0.127 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC001144359624 1071047359 /nfs/dbraw/zinc/04/73/59/1071047359.db2.gz URTMXPSZCTWNLX-YLJYHZDGSA-N 1 0 424.567 -0.127 20 0 HBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC1 ZINC001144579455 1071050221 /nfs/dbraw/zinc/05/02/21/1071050221.db2.gz MLZHXTZCNGHTIO-UHFFFAOYSA-N 1 0 422.511 -0.392 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CCCS(N)(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001144582443 1071050737 /nfs/dbraw/zinc/05/07/37/1071050737.db2.gz IMMIMVWRUHYMEV-HNNXBMFYSA-N 1 0 414.532 -0.578 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001144582444 1071050698 /nfs/dbraw/zinc/05/06/98/1071050698.db2.gz IMMIMVWRUHYMEV-OAHLLOKOSA-N 1 0 414.532 -0.578 20 0 HBADRO NS(=O)(=O)CCCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001144588077 1071050635 /nfs/dbraw/zinc/05/06/35/1071050635.db2.gz OLBUDXVHQDGYBM-UHFFFAOYSA-N 1 0 416.525 -0.099 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CCCS(N)(=O)=O)C3)O2)CC1 ZINC001144589599 1071051080 /nfs/dbraw/zinc/05/10/80/1071051080.db2.gz PXYBZUFEWPSOBJ-SJLPKXTDSA-N 1 0 402.561 -0.157 20 0 HBADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)CCCS(N)(=O)=O ZINC001144594056 1071051789 /nfs/dbraw/zinc/05/17/89/1071051789.db2.gz ACOSQBPJYUUMFF-UHFFFAOYSA-N 1 0 419.467 -0.015 20 0 HBADRO Cn1cc([C@@H]2[C@@H](C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001144739719 1071054035 /nfs/dbraw/zinc/05/40/35/1071054035.db2.gz TYBCKABZSRDLOO-BRWVUGGUSA-N 1 0 405.499 -0.329 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1=O ZINC001144755872 1071054675 /nfs/dbraw/zinc/05/46/75/1071054675.db2.gz BVLAOEAAYRSUHQ-UHFFFAOYSA-N 1 0 404.467 -0.398 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001144755928 1071054509 /nfs/dbraw/zinc/05/45/09/1071054509.db2.gz CUIMCFBZMKUEFH-UHFFFAOYSA-N 1 0 400.526 -0.342 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC001144756015 1071054655 /nfs/dbraw/zinc/05/46/55/1071054655.db2.gz FWKLWNDQGYBZAD-UHFFFAOYSA-N 1 0 421.502 -0.084 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1=O ZINC001144756258 1071054523 /nfs/dbraw/zinc/05/45/23/1071054523.db2.gz JNAIVZZZNCZORR-UHFFFAOYSA-N 1 0 418.466 -0.134 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1=O ZINC001144757121 1071054496 /nfs/dbraw/zinc/05/44/96/1071054496.db2.gz SZDWETJLXCVEGM-HNNXBMFYSA-N 1 0 423.901 -0.454 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1=O ZINC001144757122 1071054439 /nfs/dbraw/zinc/05/44/39/1071054439.db2.gz SZDWETJLXCVEGM-OAHLLOKOSA-N 1 0 423.901 -0.454 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001144757130 1071054578 /nfs/dbraw/zinc/05/45/78/1071054578.db2.gz UCJSPVMDPQWOHN-HNNXBMFYSA-N 1 0 404.471 -0.591 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001144757131 1071054466 /nfs/dbraw/zinc/05/44/66/1071054466.db2.gz UCJSPVMDPQWOHN-OAHLLOKOSA-N 1 0 404.471 -0.591 20 0 HBADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1S(=O)(=O)NC1CC1 ZINC001144757627 1071054548 /nfs/dbraw/zinc/05/45/48/1071054548.db2.gz YILSFNHDVHLIJQ-UHFFFAOYSA-N 1 0 424.523 -0.018 20 0 HBADRO CSCC[C@H](NC(C)=O)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001144857027 1071056728 /nfs/dbraw/zinc/05/67/28/1071056728.db2.gz LDYBFERLJBYKNO-LBPRGKRZSA-N 1 0 404.514 -0.134 20 0 HBADRO C[NH+]1CCN(c2ccccc2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001144864717 1071057039 /nfs/dbraw/zinc/05/70/39/1071057039.db2.gz GICNDUNNVADETB-UHFFFAOYSA-N 1 0 414.466 -0.494 20 0 HBADRO O=C(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899536 1071059148 /nfs/dbraw/zinc/05/91/48/1071059148.db2.gz LAZNMHLRCFRMCB-CADBVGFASA-N 1 0 406.479 -0.714 20 0 HBADRO O=C(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899537 1071059338 /nfs/dbraw/zinc/05/93/38/1071059338.db2.gz LAZNMHLRCFRMCB-INDMIFKZSA-N 1 0 406.479 -0.714 20 0 HBADRO O=C(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899538 1071059812 /nfs/dbraw/zinc/05/98/12/1071059812.db2.gz LAZNMHLRCFRMCB-WJFTUGDTSA-N 1 0 406.479 -0.714 20 0 HBADRO O=C(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899539 1071059999 /nfs/dbraw/zinc/05/99/99/1071059999.db2.gz LAZNMHLRCFRMCB-ZSYWTGECSA-N 1 0 406.479 -0.714 20 0 HBADRO O=C(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900744 1071060670 /nfs/dbraw/zinc/06/06/70/1071060670.db2.gz UQQZHXOOWCCYCF-CEXWTWQISA-N 1 0 420.506 -0.465 20 0 HBADRO O=C(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900745 1071060530 /nfs/dbraw/zinc/06/05/30/1071060530.db2.gz UQQZHXOOWCCYCF-GBESFXJTSA-N 1 0 420.506 -0.465 20 0 HBADRO O=C(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900746 1071061143 /nfs/dbraw/zinc/06/11/43/1071061143.db2.gz UQQZHXOOWCCYCF-GUDVDZBRSA-N 1 0 420.506 -0.465 20 0 HBADRO O=C(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900747 1071061093 /nfs/dbraw/zinc/06/10/93/1071061093.db2.gz UQQZHXOOWCCYCF-IPMKNSEASA-N 1 0 420.506 -0.465 20 0 HBADRO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901102 1071061124 /nfs/dbraw/zinc/06/11/24/1071061124.db2.gz YRGVDWQJAZOVTM-FKMNWLKXSA-N 1 0 408.495 -0.948 20 0 HBADRO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901103 1071061107 /nfs/dbraw/zinc/06/11/07/1071061107.db2.gz YRGVDWQJAZOVTM-GOKFXCSCSA-N 1 0 408.495 -0.948 20 0 HBADRO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901104 1071061073 /nfs/dbraw/zinc/06/10/73/1071061073.db2.gz YRGVDWQJAZOVTM-UTNGTADYSA-N 1 0 408.495 -0.948 20 0 HBADRO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901105 1071061149 /nfs/dbraw/zinc/06/11/49/1071061149.db2.gz YRGVDWQJAZOVTM-XTZSBGGHSA-N 1 0 408.495 -0.948 20 0 HBADRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144901322 1071061425 /nfs/dbraw/zinc/06/14/25/1071061425.db2.gz BHZWONFSFJQMIZ-IAOVAPTHSA-N 1 0 414.430 -0.871 20 0 HBADRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144901323 1071061530 /nfs/dbraw/zinc/06/15/30/1071061530.db2.gz BHZWONFSFJQMIZ-KBRIMQKVSA-N 1 0 414.430 -0.871 20 0 HBADRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144901324 1071062014 /nfs/dbraw/zinc/06/20/14/1071062014.db2.gz BHZWONFSFJQMIZ-RRQGHBQHSA-N 1 0 414.430 -0.871 20 0 HBADRO C[NH+]1CCC(COc2cccc(F)c2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144901325 1071061878 /nfs/dbraw/zinc/06/18/78/1071061878.db2.gz BHZWONFSFJQMIZ-XOKHGSTOSA-N 1 0 414.430 -0.871 20 0 HBADRO C[N@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901690 1071062611 /nfs/dbraw/zinc/06/26/11/1071062611.db2.gz FNNCVEFVNZONLJ-HUYLIWGRSA-N 1 0 414.458 -0.154 20 0 HBADRO C[N@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901691 1071062282 /nfs/dbraw/zinc/06/22/82/1071062282.db2.gz FNNCVEFVNZONLJ-KCUHQSDYSA-N 1 0 414.458 -0.154 20 0 HBADRO C[N@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901692 1071062444 /nfs/dbraw/zinc/06/24/44/1071062444.db2.gz FNNCVEFVNZONLJ-XWPNQZOQSA-N 1 0 414.458 -0.154 20 0 HBADRO C[N@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901693 1071062727 /nfs/dbraw/zinc/06/27/27/1071062727.db2.gz FNNCVEFVNZONLJ-YGWPLHOASA-N 1 0 414.458 -0.154 20 0 HBADRO [NH3+]C1CCC(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001144906423 1071064094 /nfs/dbraw/zinc/06/40/94/1071064094.db2.gz SVNYTPXLWLHHOE-KRROOZJRSA-N 1 0 406.479 -0.715 20 0 HBADRO [NH3+]C1CCC(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001144906424 1071064161 /nfs/dbraw/zinc/06/41/61/1071064161.db2.gz SVNYTPXLWLHHOE-RYYGJSMKSA-N 1 0 406.479 -0.715 20 0 HBADRO [NH3+]C1CCC(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001144906425 1071064015 /nfs/dbraw/zinc/06/40/15/1071064015.db2.gz SVNYTPXLWLHHOE-WJXUGLSWSA-N 1 0 406.479 -0.715 20 0 HBADRO [NH3+]C1CCC(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001144906426 1071063957 /nfs/dbraw/zinc/06/39/57/1071063957.db2.gz SVNYTPXLWLHHOE-YBTFUSPVSA-N 1 0 406.479 -0.715 20 0 HBADRO O=C(C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907402 1071064593 /nfs/dbraw/zinc/06/45/93/1071064593.db2.gz VRVROQJDDSDWFF-FVVUREQNSA-N 1 0 406.479 -0.999 20 0 HBADRO O=C(C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907406 1071064622 /nfs/dbraw/zinc/06/46/22/1071064622.db2.gz VRVROQJDDSDWFF-IEWDOMPSSA-N 1 0 406.479 -0.999 20 0 HBADRO O=C(C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907407 1071064729 /nfs/dbraw/zinc/06/47/29/1071064729.db2.gz VRVROQJDDSDWFF-UJWQCDCRSA-N 1 0 406.479 -0.999 20 0 HBADRO O=C(C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907408 1071064603 /nfs/dbraw/zinc/06/46/03/1071064603.db2.gz VRVROQJDDSDWFF-ZSXDVEMLSA-N 1 0 406.479 -0.999 20 0 HBADRO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144908156 1071065353 /nfs/dbraw/zinc/06/53/53/1071065353.db2.gz YRZOBOACZOSTLT-AKHDSKFASA-N 1 0 406.479 -0.388 20 0 HBADRO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144908157 1071065200 /nfs/dbraw/zinc/06/52/00/1071065200.db2.gz YRZOBOACZOSTLT-FCGDIQPGSA-N 1 0 406.479 -0.388 20 0 HBADRO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908158 1071065270 /nfs/dbraw/zinc/06/52/70/1071065270.db2.gz YRZOBOACZOSTLT-NCXUSEDFSA-N 1 0 406.479 -0.388 20 0 HBADRO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144908159 1071065150 /nfs/dbraw/zinc/06/51/50/1071065150.db2.gz YRZOBOACZOSTLT-YDZRNGNQSA-N 1 0 406.479 -0.388 20 0 HBADRO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144908379 1071061131 /nfs/dbraw/zinc/06/11/31/1071061131.db2.gz WSXLBVRGUGTRCU-BFHYXJOUSA-N 1 0 420.384 -0.874 20 0 HBADRO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144908380 1071061174 /nfs/dbraw/zinc/06/11/74/1071061174.db2.gz WSXLBVRGUGTRCU-HZSPNIEDSA-N 1 0 420.384 -0.874 20 0 HBADRO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144908381 1071061117 /nfs/dbraw/zinc/06/11/17/1071061117.db2.gz WSXLBVRGUGTRCU-MELADBBJSA-N 1 0 420.384 -0.874 20 0 HBADRO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144908382 1071061090 /nfs/dbraw/zinc/06/10/90/1071061090.db2.gz WSXLBVRGUGTRCU-MGPQQGTHSA-N 1 0 420.384 -0.874 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 ZINC001144932167 1071067120 /nfs/dbraw/zinc/06/71/20/1071067120.db2.gz UGIIDPCYNRFYLN-UHFFFAOYSA-N 1 0 405.480 -0.050 20 0 HBADRO COc1cccc(C[C@@H]([NH3+])C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)c1 ZINC001144933166 1071067462 /nfs/dbraw/zinc/06/74/62/1071067462.db2.gz JOTPQRFFCHJREK-CYBMUJFWSA-N 1 0 401.427 -0.520 20 0 HBADRO COc1cccc(C[C@H]([NH3+])C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)c1 ZINC001144933171 1071067585 /nfs/dbraw/zinc/06/75/85/1071067585.db2.gz JOTPQRFFCHJREK-ZDUSSCGKSA-N 1 0 401.427 -0.520 20 0 HBADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)c1 ZINC001144936640 1071068145 /nfs/dbraw/zinc/06/81/45/1071068145.db2.gz XLLQQAZCIKGLPO-INIZCTEOSA-N 1 0 416.482 -0.196 20 0 HBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)c1 ZINC001144936641 1071068308 /nfs/dbraw/zinc/06/83/08/1071068308.db2.gz XLLQQAZCIKGLPO-MRXNPFEDSA-N 1 0 416.482 -0.196 20 0 HBADRO COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937417 1071068243 /nfs/dbraw/zinc/06/82/43/1071068243.db2.gz QSKNQGQKZVSMRH-MSOLQXFVSA-N 1 0 402.495 -0.040 20 0 HBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937418 1071068179 /nfs/dbraw/zinc/06/81/79/1071068179.db2.gz QSKNQGQKZVSMRH-QZTJIDSGSA-N 1 0 402.495 -0.040 20 0 HBADRO COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937419 1071068276 /nfs/dbraw/zinc/06/82/76/1071068276.db2.gz QSKNQGQKZVSMRH-ROUUACIJSA-N 1 0 402.495 -0.040 20 0 HBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937420 1071068200 /nfs/dbraw/zinc/06/82/00/1071068200.db2.gz QSKNQGQKZVSMRH-ZWKOTPCHSA-N 1 0 402.495 -0.040 20 0 HBADRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)c1 ZINC001144943526 1071067371 /nfs/dbraw/zinc/06/73/71/1071067371.db2.gz KEGKPMCUPBBDJB-MWDXBVQZSA-N 1 0 418.450 -0.399 20 0 HBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)c1 ZINC001144943527 1071068012 /nfs/dbraw/zinc/06/80/12/1071068012.db2.gz KEGKPMCUPBBDJB-YYIAUSFCSA-N 1 0 418.450 -0.399 20 0 HBADRO COC(=O)[C@H](CCC(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)NC(C)=O ZINC001144956623 1071068655 /nfs/dbraw/zinc/06/86/55/1071068655.db2.gz BWRWXWKCXIPUEE-KRWDZBQOSA-N 1 0 420.514 -0.569 20 0 HBADRO COC(=O)[C@H](CCC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)NC(C)=O ZINC001144956894 1071068623 /nfs/dbraw/zinc/06/86/23/1071068623.db2.gz FHHBDQONUVTQCZ-AWEZNQCLSA-N 1 0 423.470 -0.691 20 0 HBADRO COC(=O)[C@H](CCC(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2)NC(C)=O ZINC001144956898 1071069352 /nfs/dbraw/zinc/06/93/52/1071069352.db2.gz FKFXYBMNJLFNHR-INIZCTEOSA-N 1 0 410.515 -0.011 20 0 HBADRO COC(=O)[C@H](CCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)NC(C)=O ZINC001144956927 1071069390 /nfs/dbraw/zinc/06/93/90/1071069390.db2.gz GGQZBXBRGXQXJU-LBPRGKRZSA-N 1 0 416.456 -0.934 20 0 HBADRO COC(=O)[C@H](CCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)NC(C)=O ZINC001144957597 1071068348 /nfs/dbraw/zinc/06/83/48/1071068348.db2.gz UGMKMCRMKZRABT-LUKYLMHMSA-N 1 0 419.482 -0.108 20 0 HBADRO COC(=O)[C@H](CCC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1)NC(C)=O ZINC001144960766 1071068768 /nfs/dbraw/zinc/06/87/68/1071068768.db2.gz ODVWAZXYHRDBGE-KRWDZBQOSA-N 1 0 407.471 -0.599 20 0 HBADRO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145062259 1071071105 /nfs/dbraw/zinc/07/11/05/1071071105.db2.gz ARNOYRBXXJNMGK-HNNXBMFYSA-N 1 0 410.544 -0.242 20 0 HBADRO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145062271 1071070905 /nfs/dbraw/zinc/07/09/05/1071070905.db2.gz ARNOYRBXXJNMGK-OAHLLOKOSA-N 1 0 410.544 -0.242 20 0 HBADRO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145063332 1071072281 /nfs/dbraw/zinc/07/22/81/1071072281.db2.gz FZWQSJWXRHETPI-RDJZCZTQSA-N 1 0 407.490 -0.062 20 0 HBADRO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145063340 1071071897 /nfs/dbraw/zinc/07/18/97/1071071897.db2.gz FZWQSJWXRHETPI-WBVHZDCISA-N 1 0 407.490 -0.062 20 0 HBADRO Cc1c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001146195447 1071082595 /nfs/dbraw/zinc/08/25/95/1071082595.db2.gz BOJRBADTSXDPRH-HNNXBMFYSA-N 1 0 401.471 -0.187 20 0 HBADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001146195448 1071082870 /nfs/dbraw/zinc/08/28/70/1071082870.db2.gz BOJRBADTSXDPRH-OAHLLOKOSA-N 1 0 401.471 -0.187 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001146196160 1071082732 /nfs/dbraw/zinc/08/27/32/1071082732.db2.gz HOXYIWPJIYXWFZ-FHLIZLRMSA-N 1 0 403.483 -0.520 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001146196165 1071082820 /nfs/dbraw/zinc/08/28/20/1071082820.db2.gz HOXYIWPJIYXWFZ-JLSDUUJJSA-N 1 0 403.483 -0.520 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001146196166 1071082977 /nfs/dbraw/zinc/08/29/77/1071082977.db2.gz HOXYIWPJIYXWFZ-OLMNPRSZSA-N 1 0 403.483 -0.520 20 0 HBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001146196167 1071082648 /nfs/dbraw/zinc/08/26/48/1071082648.db2.gz HOXYIWPJIYXWFZ-ZTFGCOKTSA-N 1 0 403.483 -0.520 20 0 HBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001146197184 1071082689 /nfs/dbraw/zinc/08/26/89/1071082689.db2.gz RHOSDQYAYLUODB-MOPGFXCFSA-N 1 0 422.501 -0.632 20 0 HBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001146197185 1071082920 /nfs/dbraw/zinc/08/29/20/1071082920.db2.gz RHOSDQYAYLUODB-OALUTQOASA-N 1 0 422.501 -0.632 20 0 HBADRO CCOC(=O)C1(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC001146245909 1071083350 /nfs/dbraw/zinc/08/33/50/1071083350.db2.gz POSABDMBCNSHOM-UHFFFAOYSA-N 1 0 400.476 -0.229 20 0 HBADRO CCOC(=O)CC1([NH3+])CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC001146247826 1071083981 /nfs/dbraw/zinc/08/39/81/1071083981.db2.gz QOBLTPMARKPZAL-UHFFFAOYSA-N 1 0 400.476 -0.100 20 0 HBADRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC001146247886 1071084091 /nfs/dbraw/zinc/08/40/91/1071084091.db2.gz SYWPADBTIIBYNL-HDJSIYSDSA-N 1 0 413.519 -0.268 20 0 HBADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)nc2)CC1 ZINC001146250300 1071083971 /nfs/dbraw/zinc/08/39/71/1071083971.db2.gz ZKGYALASMORYAL-CVEARBPZSA-N 1 0 407.496 -0.094 20 0 HBADRO COc1cc(N2CCN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)CC2)ccn1 ZINC001146254437 1071084722 /nfs/dbraw/zinc/08/47/22/1071084722.db2.gz DNJIJKYCJXOLKC-CVEARBPZSA-N 1 0 408.480 -0.127 20 0 HBADRO CC1(C)[C@H](C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146262848 1071086272 /nfs/dbraw/zinc/08/62/72/1071086272.db2.gz NNNNQTSYLPDEMC-CVEARBPZSA-N 1 0 407.492 -0.123 20 0 HBADRO CC1(C)[C@H](C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146263547 1071087124 /nfs/dbraw/zinc/08/71/24/1071087124.db2.gz ZAFWJBFAPNIOTM-KGLIPLIRSA-N 1 0 415.493 -0.428 20 0 HBADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CC1 ZINC001146264318 1071087012 /nfs/dbraw/zinc/08/70/12/1071087012.db2.gz AWRSHQIVQUULSA-OCCSQVGLSA-N 1 0 401.485 -0.607 20 0 HBADRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CC1 ZINC001146266305 1071086803 /nfs/dbraw/zinc/08/68/03/1071086803.db2.gz ILHZQRBUNGKTSI-BHTHQVBYSA-N 1 0 414.528 -0.774 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001146284569 1071087849 /nfs/dbraw/zinc/08/78/49/1071087849.db2.gz NGRAMDRNPDMEPK-GOSISDBHSA-N 1 0 422.551 -0.040 20 0 HBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001146284570 1071087884 /nfs/dbraw/zinc/08/78/84/1071087884.db2.gz NGRAMDRNPDMEPK-SFHVURJKSA-N 1 0 422.551 -0.040 20 0 HBADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C ZINC001146373411 1071088569 /nfs/dbraw/zinc/08/85/69/1071088569.db2.gz XWYGMMCGXLJKCE-PSKZRQQASA-N 1 0 423.470 -0.183 20 0 HBADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C ZINC001146373412 1071088502 /nfs/dbraw/zinc/08/85/02/1071088502.db2.gz XWYGMMCGXLJKCE-UZYOAWRESA-N 1 0 423.470 -0.183 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001146388753 1071088921 /nfs/dbraw/zinc/08/89/21/1071088921.db2.gz KLRVGSCLVPWNOX-INIZCTEOSA-N 1 0 410.540 -0.192 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001146388754 1071089796 /nfs/dbraw/zinc/08/97/96/1071089796.db2.gz KLRVGSCLVPWNOX-MRXNPFEDSA-N 1 0 410.540 -0.192 20 0 HBADRO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001146393736 1071089755 /nfs/dbraw/zinc/08/97/55/1071089755.db2.gz MHPLXSLEZDGVPP-LLVKDONJSA-N 1 0 406.440 -0.503 20 0 HBADRO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001146393737 1071089557 /nfs/dbraw/zinc/08/95/57/1071089557.db2.gz MHPLXSLEZDGVPP-NSHDSACASA-N 1 0 406.440 -0.503 20 0 HBADRO C[NH+]1CCC(CO)(NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)CC1 ZINC001146442533 1071090451 /nfs/dbraw/zinc/09/04/51/1071090451.db2.gz BDMUBMDMIDFHIZ-ZDUSSCGKSA-N 1 0 401.508 -0.099 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146444305 1071090980 /nfs/dbraw/zinc/09/09/80/1071090980.db2.gz STYXWEPTPNZSNU-LBPRGKRZSA-N 1 0 403.480 -0.321 20 0 HBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001146468251 1071089592 /nfs/dbraw/zinc/08/95/92/1071089592.db2.gz KXFCLYMMAYBJLV-AWEZNQCLSA-N 1 0 414.470 -0.358 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001146510163 1071091066 /nfs/dbraw/zinc/09/10/66/1071091066.db2.gz INAHCNWCPYNQSH-GFCCVEGCSA-N 1 0 418.516 -0.503 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001146510164 1071090954 /nfs/dbraw/zinc/09/09/54/1071090954.db2.gz INAHCNWCPYNQSH-LBPRGKRZSA-N 1 0 418.516 -0.503 20 0 HBADRO C[C@@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC001146575311 1071093059 /nfs/dbraw/zinc/09/30/59/1071093059.db2.gz KYQRQFFFXYCSLO-CYBMUJFWSA-N 1 0 407.471 -0.412 20 0 HBADRO C[C@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC001146575312 1071093108 /nfs/dbraw/zinc/09/31/08/1071093108.db2.gz KYQRQFFFXYCSLO-ZDUSSCGKSA-N 1 0 407.471 -0.412 20 0 HBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001146617746 1071094273 /nfs/dbraw/zinc/09/42/73/1071094273.db2.gz DPILOHXYHLABKW-KZNAEPCWSA-N 1 0 415.494 -0.369 20 0 HBADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC[C@@H]21 ZINC001146618136 1071094248 /nfs/dbraw/zinc/09/42/48/1071094248.db2.gz HRIFKUOIGGIKDY-UEDNIHKISA-N 1 0 404.511 -0.004 20 0 HBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001146618390 1071094147 /nfs/dbraw/zinc/09/41/47/1071094147.db2.gz IFYHPNYHRLFZSC-UEDNIHKISA-N 1 0 417.510 -0.608 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CCC2 ZINC001146618543 1071094222 /nfs/dbraw/zinc/09/42/22/1071094222.db2.gz MHXSXFCXWXRLLG-GPMSIDNRSA-N 1 0 406.483 -0.771 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)C3)O2)CC1 ZINC001146618545 1071094941 /nfs/dbraw/zinc/09/49/41/1071094941.db2.gz MLKIMCBJKZMTIK-DRJBRKBZSA-N 1 0 409.527 -0.813 20 0 HBADRO CO[C@@H]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001146619296 1071094884 /nfs/dbraw/zinc/09/48/84/1071094884.db2.gz QQDUSZROXPNBRJ-RFVXBFLTSA-N 1 0 403.479 -0.458 20 0 HBADRO Cc1ccc(N(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001146619935 1071095368 /nfs/dbraw/zinc/09/53/68/1071095368.db2.gz VZRRXCOAMMKEDY-QQRQNBNMSA-N 1 0 404.467 -0.558 20 0 HBADRO Cc1ccc(N(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001146619936 1071095276 /nfs/dbraw/zinc/09/52/76/1071095276.db2.gz VZRRXCOAMMKEDY-RDLFHWDQSA-N 1 0 404.467 -0.558 20 0 HBADRO Cc1ccc(N(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001146619937 1071095417 /nfs/dbraw/zinc/09/54/17/1071095417.db2.gz VZRRXCOAMMKEDY-RSCNAKIRSA-N 1 0 404.467 -0.558 20 0 HBADRO Cc1ccc(N(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001146619938 1071095307 /nfs/dbraw/zinc/09/53/07/1071095307.db2.gz VZRRXCOAMMKEDY-XKTCVQHVSA-N 1 0 404.467 -0.558 20 0 HBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001146621895 1071095968 /nfs/dbraw/zinc/09/59/68/1071095968.db2.gz TTYGSVVOKITYDS-BRWVUGGUSA-N 1 0 400.439 -0.888 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@H]2C1 ZINC001146626024 1071096624 /nfs/dbraw/zinc/09/66/24/1071096624.db2.gz FOCFZEYHCNCORT-GWZLXJJCSA-N 1 0 411.499 -0.543 20 0 HBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001146626151 1071096727 /nfs/dbraw/zinc/09/67/27/1071096727.db2.gz ATTQGKQWOWEPNX-KZNAEPCWSA-N 1 0 423.491 -0.755 20 0 HBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001146626667 1071096615 /nfs/dbraw/zinc/09/66/15/1071096615.db2.gz IXILYWDHOQIOLY-YRGRVCCFSA-N 1 0 402.373 -0.007 20 0 HBADRO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)c1 ZINC001146628227 1071093610 /nfs/dbraw/zinc/09/36/10/1071093610.db2.gz CEKHWUJZNMVRFU-GUDVDZBRSA-N 1 0 404.463 -0.033 20 0 HBADRO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)S(C)(=O)=O)c(F)c1 ZINC001146632711 1071097160 /nfs/dbraw/zinc/09/71/60/1071097160.db2.gz RDHISDJPWLKPOA-KWZFETQISA-N 1 0 406.407 -0.310 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001146632858 1071097207 /nfs/dbraw/zinc/09/72/07/1071097207.db2.gz IFMFTYYRJKYZDW-INIZCTEOSA-N 1 0 417.576 -0.941 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001146632861 1071097348 /nfs/dbraw/zinc/09/73/48/1071097348.db2.gz IFMFTYYRJKYZDW-MRXNPFEDSA-N 1 0 417.576 -0.941 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@H]1c1ccnn1C ZINC001146634165 1071097735 /nfs/dbraw/zinc/09/77/35/1071097735.db2.gz VFLYNMWWVNLBPT-AHRSYUTCSA-N 1 0 418.542 -0.053 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H]1c1ccnn1C ZINC001146634167 1071097788 /nfs/dbraw/zinc/09/77/88/1071097788.db2.gz VFLYNMWWVNLBPT-DBVUQKKJSA-N 1 0 418.542 -0.053 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC001146734717 1071098312 /nfs/dbraw/zinc/09/83/12/1071098312.db2.gz YIYOQKMEDUIWAG-INIZCTEOSA-N 1 0 407.496 -0.196 20 0 HBADRO NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC001146734719 1071098201 /nfs/dbraw/zinc/09/82/01/1071098201.db2.gz YIYOQKMEDUIWAG-MRXNPFEDSA-N 1 0 407.496 -0.196 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CC1=CCCCC1 ZINC001146747761 1071099123 /nfs/dbraw/zinc/09/91/23/1071099123.db2.gz CSJPZOCALUBZEA-PCYKNENESA-N 1 0 404.427 -0.716 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC001146781712 1071098275 /nfs/dbraw/zinc/09/82/75/1071098275.db2.gz FLFVQRMPDZEKCL-UHFFFAOYSA-N 1 0 402.455 -0.076 20 0 HBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC001146782028 1071098995 /nfs/dbraw/zinc/09/89/95/1071098995.db2.gz JJMYMPZYMCNKLU-UHFFFAOYSA-N 1 0 407.496 -0.026 20 0 HBADRO CC[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC1 ZINC001146783244 1071099291 /nfs/dbraw/zinc/09/92/91/1071099291.db2.gz WMOMHNSKPCHUMC-IRXDYDNUSA-N 1 0 423.558 -0.158 20 0 HBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC001146783274 1071098756 /nfs/dbraw/zinc/09/87/56/1071098756.db2.gz WSQDIAHOZAISKW-AWEZNQCLSA-N 1 0 414.528 -0.562 20 0 HBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC001146783278 1071099027 /nfs/dbraw/zinc/09/90/27/1071099027.db2.gz WSQDIAHOZAISKW-CQSZACIVSA-N 1 0 414.528 -0.562 20 0 HBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001146792239 1071099606 /nfs/dbraw/zinc/09/96/06/1071099606.db2.gz VGARERJTXKAZKC-CQSZACIVSA-N 1 0 401.471 -0.549 20 0 HBADRO O=C(c1csnn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001146815692 1071099466 /nfs/dbraw/zinc/09/94/66/1071099466.db2.gz KPNCYFFJNAQMQZ-WCQYABFASA-N 1 0 406.493 -0.282 20 0 HBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146832275 1071100347 /nfs/dbraw/zinc/10/03/47/1071100347.db2.gz BFTASJNOKXORHU-PBHICJAKSA-N 1 0 413.540 -0.218 20 0 HBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146832283 1071100494 /nfs/dbraw/zinc/10/04/94/1071100494.db2.gz BFTASJNOKXORHU-RHSMWYFYSA-N 1 0 413.540 -0.218 20 0 HBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146832286 1071100434 /nfs/dbraw/zinc/10/04/34/1071100434.db2.gz BFTASJNOKXORHU-WMLDXEAASA-N 1 0 413.540 -0.218 20 0 HBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146832289 1071100498 /nfs/dbraw/zinc/10/04/98/1071100498.db2.gz BFTASJNOKXORHU-YOEHRIQHSA-N 1 0 413.540 -0.218 20 0 HBADRO Cn1c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC001146833111 1071100384 /nfs/dbraw/zinc/10/03/84/1071100384.db2.gz JTQMDILHDMPNSL-UHFFFAOYSA-N 1 0 403.483 -0.051 20 0 HBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001146840307 1071100528 /nfs/dbraw/zinc/10/05/28/1071100528.db2.gz OMJHKEYOCWLNQV-UHFFFAOYSA-N 1 0 418.560 -0.420 20 0 HBADRO Cc1nc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c[nH]1 ZINC001146863991 1071100457 /nfs/dbraw/zinc/10/04/57/1071100457.db2.gz DXCZGUICUYOTQA-DZGCQCFKSA-N 1 0 402.480 -0.102 20 0 HBADRO O=C(c1cc[nH]c(=O)c1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001146898860 1071101132 /nfs/dbraw/zinc/10/11/32/1071101132.db2.gz GRGKTKYOVMVNDL-LSDHHAIUSA-N 1 0 415.475 -0.033 20 0 HBADRO COc1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)on1 ZINC001146934394 1071101901 /nfs/dbraw/zinc/10/19/01/1071101901.db2.gz FIQGBAQGQXDLBM-GXTWGEPZSA-N 1 0 419.463 -0.137 20 0 HBADRO Cc1ncc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cn1 ZINC001146949349 1071101957 /nfs/dbraw/zinc/10/19/57/1071101957.db2.gz YJKKCTINAXVZAL-JKSUJKDBSA-N 1 0 414.491 -0.035 20 0 HBADRO COC1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CS(=O)(=O)C1 ZINC001146977531 1071102640 /nfs/dbraw/zinc/10/26/40/1071102640.db2.gz DGTQXXRZPLMPLH-UHFFFAOYSA-N 1 0 409.508 -0.058 20 0 HBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977614 1071102733 /nfs/dbraw/zinc/10/27/33/1071102733.db2.gz ODKUAOGIUBCDGS-ARFHVFGLSA-N 1 0 402.561 -0.590 20 0 HBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977619 1071102655 /nfs/dbraw/zinc/10/26/55/1071102655.db2.gz ODKUAOGIUBCDGS-HRCADAONSA-N 1 0 402.561 -0.590 20 0 HBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977621 1071102684 /nfs/dbraw/zinc/10/26/84/1071102684.db2.gz ODKUAOGIUBCDGS-JYJNAYRXSA-N 1 0 402.561 -0.590 20 0 HBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977623 1071102591 /nfs/dbraw/zinc/10/25/91/1071102591.db2.gz ODKUAOGIUBCDGS-XHSDSOJGSA-N 1 0 402.561 -0.590 20 0 HBADRO O=C(c1ccc(=O)[nH]n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001146985635 1071103446 /nfs/dbraw/zinc/10/34/46/1071103446.db2.gz WEBGLUMGZOOMDB-GXTWGEPZSA-N 1 0 416.463 -0.638 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(=O)[nH]n2)c2nonc21 ZINC001146990553 1071103561 /nfs/dbraw/zinc/10/35/61/1071103561.db2.gz XMZRAIALZPNILI-UHFFFAOYSA-N 1 0 407.412 -0.426 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001147026127 1071105248 /nfs/dbraw/zinc/10/52/48/1071105248.db2.gz FCMBICSMNHAHOG-DZGCQCFKSA-N 1 0 405.904 -0.184 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001147026128 1071105021 /nfs/dbraw/zinc/10/50/21/1071105021.db2.gz FCMBICSMNHAHOG-HIFRSBDPSA-N 1 0 405.904 -0.184 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001147026129 1071105150 /nfs/dbraw/zinc/10/51/50/1071105150.db2.gz FCMBICSMNHAHOG-UKRRQHHQSA-N 1 0 405.904 -0.184 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001147026130 1071105168 /nfs/dbraw/zinc/10/51/68/1071105168.db2.gz FCMBICSMNHAHOG-ZFWWWQNUSA-N 1 0 405.904 -0.184 20 0 HBADRO COc1nn(C)cc1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001147027881 1071105113 /nfs/dbraw/zinc/10/51/13/1071105113.db2.gz ANLLREFFKPOGIH-UHFFFAOYSA-N 1 0 423.455 -0.179 20 0 HBADRO COc1cnc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)nc1 ZINC001147041271 1071104304 /nfs/dbraw/zinc/10/43/04/1071104304.db2.gz MNYRYQAZBATARF-UHFFFAOYSA-N 1 0 421.439 -0.123 20 0 HBADRO CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114004 1071105748 /nfs/dbraw/zinc/10/57/48/1071105748.db2.gz UVCARKRSDINHRT-HNNXBMFYSA-N 1 0 408.503 -0.226 20 0 HBADRO CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114005 1071105963 /nfs/dbraw/zinc/10/59/63/1071105963.db2.gz UVCARKRSDINHRT-OAHLLOKOSA-N 1 0 408.503 -0.226 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cn1 ZINC001147114439 1071105811 /nfs/dbraw/zinc/10/58/11/1071105811.db2.gz ZLJAVYMDNWRLBD-AWEZNQCLSA-N 1 0 412.491 -0.225 20 0 HBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cn1 ZINC001147114440 1071105863 /nfs/dbraw/zinc/10/58/63/1071105863.db2.gz ZLJAVYMDNWRLBD-CQSZACIVSA-N 1 0 412.491 -0.225 20 0 HBADRO O=C(c1ccc(=O)[nH]c1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147143842 1071106784 /nfs/dbraw/zinc/10/67/84/1071106784.db2.gz CLIWALNHKDQROU-LSDHHAIUSA-N 1 0 415.475 -0.033 20 0 HBADRO O=C(c1ccc[nH]c1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147176612 1071106403 /nfs/dbraw/zinc/10/64/03/1071106403.db2.gz LHTZQSPMDIDGLQ-LSDHHAIUSA-N 1 0 415.475 -0.033 20 0 HBADRO O=C(c1ccnnc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147195659 1071106562 /nfs/dbraw/zinc/10/65/62/1071106562.db2.gz FIGNDHSJUSACCX-LSDHHAIUSA-N 1 0 400.464 -0.344 20 0 HBADRO Cn1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cn1 ZINC001147281584 1071108215 /nfs/dbraw/zinc/10/82/15/1071108215.db2.gz WVPXIUXUHYXHGI-LSDHHAIUSA-N 1 0 402.480 -0.400 20 0 HBADRO O=C(c1cccc(=O)[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147294868 1071107403 /nfs/dbraw/zinc/10/74/03/1071107403.db2.gz XFZFKUJTKMPWPD-DZGCQCFKSA-N 1 0 415.475 -0.033 20 0 HBADRO Cn1nccc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147330308 1071108354 /nfs/dbraw/zinc/10/83/54/1071108354.db2.gz CCKUKECRKNPCKY-DZGCQCFKSA-N 1 0 402.480 -0.400 20 0 HBADRO Cn1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1 ZINC001147344714 1071109223 /nfs/dbraw/zinc/10/92/23/1071109223.db2.gz GCRSCYIQJIRDSH-DZGCQCFKSA-N 1 0 402.480 -0.400 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001147350841 1071109919 /nfs/dbraw/zinc/10/99/19/1071109919.db2.gz DHZNJJLAKLSSEN-ABHRYQDASA-N 1 0 404.558 -0.474 20 0 HBADRO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@H]1C[N@H+](C)CCN1C ZINC001147350844 1071109849 /nfs/dbraw/zinc/10/98/49/1071109849.db2.gz DHZNJJLAKLSSEN-COMQUAJESA-N 1 0 404.558 -0.474 20 0 HBADRO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@@H]1C[N@H+](C)CCN1C ZINC001147350846 1071110013 /nfs/dbraw/zinc/11/00/13/1071110013.db2.gz DHZNJJLAKLSSEN-OSFYFWSMSA-N 1 0 404.558 -0.474 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001147350848 1071110986 /nfs/dbraw/zinc/11/09/86/1071110986.db2.gz DHZNJJLAKLSSEN-XPCVCDNBSA-N 1 0 404.558 -0.474 20 0 HBADRO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001147352471 1071108964 /nfs/dbraw/zinc/10/89/64/1071108964.db2.gz MDDFEWCEEUQBDN-DVOMOZLQSA-N 1 0 411.528 -0.797 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001147352475 1071108999 /nfs/dbraw/zinc/10/89/99/1071108999.db2.gz MDDFEWCEEUQBDN-HEHGZKQESA-N 1 0 411.528 -0.797 20 0 HBADRO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001147352477 1071109158 /nfs/dbraw/zinc/10/91/58/1071109158.db2.gz MDDFEWCEEUQBDN-WWGRRREGSA-N 1 0 411.528 -0.797 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001147352478 1071109067 /nfs/dbraw/zinc/10/90/67/1071109067.db2.gz MDDFEWCEEUQBDN-XEZPLFJOSA-N 1 0 411.528 -0.797 20 0 HBADRO COc1c(F)cc(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001147352522 1071109243 /nfs/dbraw/zinc/10/92/43/1071109243.db2.gz MJWKZCJLTMWTHX-BXUZGUMPSA-N 1 0 402.492 -0.225 20 0 HBADRO COc1c(F)cc(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001147352527 1071108825 /nfs/dbraw/zinc/10/88/25/1071108825.db2.gz MJWKZCJLTMWTHX-FZMZJTMJSA-N 1 0 402.492 -0.225 20 0 HBADRO COc1c(F)cc(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001147352531 1071109197 /nfs/dbraw/zinc/10/91/97/1071109197.db2.gz MJWKZCJLTMWTHX-RISCZKNCSA-N 1 0 402.492 -0.225 20 0 HBADRO COc1c(F)cc(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001147352533 1071108927 /nfs/dbraw/zinc/10/89/27/1071108927.db2.gz MJWKZCJLTMWTHX-SMDDNHRTSA-N 1 0 402.492 -0.225 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001147353541 1071109276 /nfs/dbraw/zinc/10/92/76/1071109276.db2.gz YIDMDUORHPFHGG-KYOSRNDESA-N 1 0 400.549 -0.546 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001147353542 1071109111 /nfs/dbraw/zinc/10/91/11/1071109111.db2.gz YIDMDUORHPFHGG-LNSITVRQSA-N 1 0 400.549 -0.546 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001147353543 1071108779 /nfs/dbraw/zinc/10/87/79/1071108779.db2.gz YIDMDUORHPFHGG-NJZAAPMLSA-N 1 0 400.549 -0.546 20 0 HBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001147353544 1071108878 /nfs/dbraw/zinc/10/88/78/1071108878.db2.gz YIDMDUORHPFHGG-UXIGCNINSA-N 1 0 400.549 -0.546 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370904 1071109806 /nfs/dbraw/zinc/10/98/06/1071109806.db2.gz SRCFVZZOOLFKMR-BZUAXINKSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370905 1071109999 /nfs/dbraw/zinc/10/99/99/1071109999.db2.gz SRCFVZZOOLFKMR-OAGGEKHMSA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370906 1071110088 /nfs/dbraw/zinc/11/00/88/1071110088.db2.gz SRCFVZZOOLFKMR-OWCLPIDISA-N 1 0 400.545 -0.189 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370907 1071109835 /nfs/dbraw/zinc/10/98/35/1071109835.db2.gz SRCFVZZOOLFKMR-PMPSAXMXSA-N 1 0 400.545 -0.189 20 0 HBADRO O=C(c1ncccn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147412024 1071110692 /nfs/dbraw/zinc/11/06/92/1071110692.db2.gz HPPIDVTXRAIPGL-UONOGXRCSA-N 1 0 400.464 -0.344 20 0 HBADRO O=C(c1cncnc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147426798 1071110784 /nfs/dbraw/zinc/11/07/84/1071110784.db2.gz VGZRYAGUKZOLFC-LSDHHAIUSA-N 1 0 400.464 -0.344 20 0 HBADRO Cc1c(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cnn1C ZINC001147463904 1071111673 /nfs/dbraw/zinc/11/16/73/1071111673.db2.gz QIVBWLIVJCZLQA-JKSUJKDBSA-N 1 0 416.507 -0.092 20 0 HBADRO Cc1scc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1C ZINC001147530663 1071115603 /nfs/dbraw/zinc/11/56/03/1071115603.db2.gz KDQXKVVMKZETAH-NKTGWMFESA-N 1 0 420.451 -0.880 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cc3n(n1)CCNC3=O)CC2 ZINC001147543188 1071113295 /nfs/dbraw/zinc/11/32/95/1071113295.db2.gz CEAOOBSFWXBHHI-UHFFFAOYSA-N 1 0 401.427 -0.896 20 0 HBADRO O=C(c1cc2n(n1)CCNC2=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001147544491 1071114776 /nfs/dbraw/zinc/11/47/76/1071114776.db2.gz VHEMOTWLARWVJL-UHFFFAOYSA-N 1 0 407.438 -0.047 20 0 HBADRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1cc3n(n1)CCNC3=O)CCC2 ZINC001147544781 1071114759 /nfs/dbraw/zinc/11/47/59/1071114759.db2.gz YAJBBPKSFYODKP-UHFFFAOYSA-N 1 0 401.471 -0.053 20 0 HBADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1cc2n(n1)CCNC2=O ZINC001147554002 1071115740 /nfs/dbraw/zinc/11/57/40/1071115740.db2.gz ANWHIKILMJXIFC-UHFFFAOYSA-N 1 0 404.452 -0.814 20 0 HBADRO Cc1n[nH]nc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147569936 1071115841 /nfs/dbraw/zinc/11/58/41/1071115841.db2.gz HVJSKHICOVKPKT-QWHCGFSZSA-N 1 0 403.468 -0.707 20 0 HBADRO O=C(c1ccc(=O)oc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147586739 1071116514 /nfs/dbraw/zinc/11/65/14/1071116514.db2.gz QQNPPRCHKZHJJX-LSDHHAIUSA-N 1 0 416.459 -0.181 20 0 HBADRO O=C(c1cc(=O)cco1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147605424 1071115798 /nfs/dbraw/zinc/11/57/98/1071115798.db2.gz ZTLOKVRRNNSWRS-GOEBONIOSA-N 1 0 416.459 -0.181 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2c[nH]c(=O)cn2)c2nonc21 ZINC001147630410 1071117242 /nfs/dbraw/zinc/11/72/42/1071117242.db2.gz OKZUFMNFMCHQCE-UHFFFAOYSA-N 1 0 407.412 -0.838 20 0 HBADRO C[N@H+](CC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1O ZINC001147640573 1071117986 /nfs/dbraw/zinc/11/79/86/1071117986.db2.gz CGFHOWPGGYENTK-CLCXKQKWSA-N 1 0 401.504 -0.054 20 0 HBADRO C[N@H+](CC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1O ZINC001147640574 1071118070 /nfs/dbraw/zinc/11/80/70/1071118070.db2.gz CGFHOWPGGYENTK-SPYBWZPUSA-N 1 0 401.504 -0.054 20 0 HBADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642084 1071117967 /nfs/dbraw/zinc/11/79/67/1071117967.db2.gz QOTKBHFURMXYCK-MOPGFXCFSA-N 1 0 401.504 -0.052 20 0 HBADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642087 1071117845 /nfs/dbraw/zinc/11/78/45/1071117845.db2.gz QOTKBHFURMXYCK-OALUTQOASA-N 1 0 401.504 -0.052 20 0 HBADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642088 1071118163 /nfs/dbraw/zinc/11/81/63/1071118163.db2.gz QOTKBHFURMXYCK-RBUKOAKNSA-N 1 0 401.504 -0.052 20 0 HBADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642089 1071117948 /nfs/dbraw/zinc/11/79/48/1071117948.db2.gz QOTKBHFURMXYCK-RTBURBONSA-N 1 0 401.504 -0.052 20 0 HBADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)C1=O ZINC001147645859 1071118154 /nfs/dbraw/zinc/11/81/54/1071118154.db2.gz UMFWBEUNOFYWAV-UHFFFAOYSA-N 1 0 421.498 -0.412 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)[C@H]2COCC[NH+]1CCCC1 ZINC001147693369 1071119345 /nfs/dbraw/zinc/11/93/45/1071119345.db2.gz VPBRNBXYFXYKJS-AWEZNQCLSA-N 1 0 403.443 -0.132 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001147693370 1071119271 /nfs/dbraw/zinc/11/92/71/1071119271.db2.gz VPBRNBXYFXYKJS-CQSZACIVSA-N 1 0 403.443 -0.132 20 0 HBADRO CCc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cs1 ZINC001147714860 1071120194 /nfs/dbraw/zinc/12/01/94/1071120194.db2.gz ZJPZOSVHSZHKAL-NKTGWMFESA-N 1 0 420.451 -0.935 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1nccnc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001147752472 1071123327 /nfs/dbraw/zinc/12/33/27/1071123327.db2.gz QORUOQINRXYXOC-AWEZNQCLSA-N 1 0 414.470 -0.444 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1nccnc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001147752473 1071123201 /nfs/dbraw/zinc/12/32/01/1071123201.db2.gz QORUOQINRXYXOC-CQSZACIVSA-N 1 0 414.470 -0.444 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)O2)CC1 ZINC001147753104 1071123917 /nfs/dbraw/zinc/12/39/17/1071123917.db2.gz DTIQQWXDDCZMBI-FOIQADDNSA-N 1 0 402.499 -0.023 20 0 HBADRO NC(=O)c1nccnc1C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001147760433 1071121625 /nfs/dbraw/zinc/12/16/25/1071121625.db2.gz SMKILOSCOSTMPT-UHFFFAOYSA-N 1 0 419.405 -0.146 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001147775917 1071126305 /nfs/dbraw/zinc/12/63/05/1071126305.db2.gz RSJBECIGEXHQLF-DLBZAZTESA-N 1 0 414.572 -0.446 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001147775918 1071126203 /nfs/dbraw/zinc/12/62/03/1071126203.db2.gz RSJBECIGEXHQLF-IAGOWNOFSA-N 1 0 414.572 -0.446 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001147775919 1071126292 /nfs/dbraw/zinc/12/62/92/1071126292.db2.gz RSJBECIGEXHQLF-IRXDYDNUSA-N 1 0 414.572 -0.446 20 0 HBADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001147775920 1071126177 /nfs/dbraw/zinc/12/61/77/1071126177.db2.gz RSJBECIGEXHQLF-SJORKVTESA-N 1 0 414.572 -0.446 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001147831988 1071128038 /nfs/dbraw/zinc/12/80/38/1071128038.db2.gz WFEJXYIXHHJSBP-INIZCTEOSA-N 1 0 419.931 -0.058 20 0 HBADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001147831989 1071128148 /nfs/dbraw/zinc/12/81/48/1071128148.db2.gz WFEJXYIXHHJSBP-MRXNPFEDSA-N 1 0 419.931 -0.058 20 0 HBADRO Cc1ncc(CO)c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c1O ZINC001147835722 1071129186 /nfs/dbraw/zinc/12/91/86/1071129186.db2.gz FOOZOJBGLUQNSY-UHFFFAOYSA-N 1 0 419.526 -0.102 20 0 HBADRO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001147890293 1071129162 /nfs/dbraw/zinc/12/91/62/1071129162.db2.gz ABUKAYDSFHHSAR-INIZCTEOSA-N 1 0 420.514 -0.284 20 0 HBADRO Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001147897935 1071130545 /nfs/dbraw/zinc/13/05/45/1071130545.db2.gz MUXHXHMQXLDADG-UHFFFAOYSA-N 1 0 404.496 -0.061 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898150 1071130516 /nfs/dbraw/zinc/13/05/16/1071130516.db2.gz REGWICOCCYLNSN-BPQIPLTHSA-N 1 0 420.485 -0.214 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898151 1071130640 /nfs/dbraw/zinc/13/06/40/1071130640.db2.gz REGWICOCCYLNSN-NJAFHUGGSA-N 1 0 420.485 -0.214 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898152 1071130700 /nfs/dbraw/zinc/13/07/00/1071130700.db2.gz REGWICOCCYLNSN-RYQLBKOJSA-N 1 0 420.485 -0.214 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898153 1071130599 /nfs/dbraw/zinc/13/05/99/1071130599.db2.gz REGWICOCCYLNSN-SZMVWBNQSA-N 1 0 420.485 -0.214 20 0 HBADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(CC[NH+]3CCCC3)nc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001147979835 1071131244 /nfs/dbraw/zinc/13/12/44/1071131244.db2.gz HIOLUCCMWSWOHZ-NAHOJYEASA-N 1 0 409.483 -0.706 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001148078369 1071132980 /nfs/dbraw/zinc/13/29/80/1071132980.db2.gz HQWQHKQNDGCVGU-BJJXKVORSA-N 1 0 417.553 -0.167 20 0 HBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001148078370 1071132950 /nfs/dbraw/zinc/13/29/50/1071132950.db2.gz HQWQHKQNDGCVGU-DUVNUKRYSA-N 1 0 417.553 -0.167 20 0 HBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001148078371 1071133151 /nfs/dbraw/zinc/13/31/51/1071133151.db2.gz HQWQHKQNDGCVGU-JGGQBBKZSA-N 1 0 417.553 -0.167 20 0 HBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001148078561 1071132876 /nfs/dbraw/zinc/13/28/76/1071132876.db2.gz HQWQHKQNDGCVGU-NOLJZWGESA-N 1 0 417.553 -0.167 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001148079588 1071132909 /nfs/dbraw/zinc/13/29/09/1071132909.db2.gz SSTBSYZCHQGDNO-LLVKDONJSA-N 1 0 401.261 -0.231 20 0 HBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001148079590 1071133081 /nfs/dbraw/zinc/13/30/81/1071133081.db2.gz SSTBSYZCHQGDNO-NSHDSACASA-N 1 0 401.261 -0.231 20 0 HBADRO O=C(c1ccncn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001148166616 1071133791 /nfs/dbraw/zinc/13/37/91/1071133791.db2.gz FQCDSYABPVBDHA-DZGCQCFKSA-N 1 0 400.464 -0.344 20 0 HBADRO Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c(C)c1 ZINC001148253529 1071136725 /nfs/dbraw/zinc/13/67/25/1071136725.db2.gz RJMVRBNQWXTEFQ-LZDVPDMXSA-N 1 0 414.422 -0.942 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001148258549 1071136834 /nfs/dbraw/zinc/13/68/34/1071136834.db2.gz YYFTYCFKVBNEGK-IPELMVKDSA-N 1 0 405.499 -0.111 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001148258551 1071136741 /nfs/dbraw/zinc/13/67/41/1071136741.db2.gz YYFTYCFKVBNEGK-LZQZEXGQSA-N 1 0 405.499 -0.111 20 0 HBADRO C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC001148275175 1071138300 /nfs/dbraw/zinc/13/83/00/1071138300.db2.gz NZPJRNFHJLIGND-AWEZNQCLSA-N 1 0 403.545 -0.115 20 0 HBADRO C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)S(=O)(=O)C1CCOCC1 ZINC001148275176 1071138205 /nfs/dbraw/zinc/13/82/05/1071138205.db2.gz NZPJRNFHJLIGND-CQSZACIVSA-N 1 0 403.545 -0.115 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC001148307897 1071137492 /nfs/dbraw/zinc/13/74/92/1071137492.db2.gz PSMBVXBQBOINLU-CYBMUJFWSA-N 1 0 401.510 -0.325 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC001148307898 1071137563 /nfs/dbraw/zinc/13/75/63/1071137563.db2.gz PSMBVXBQBOINLU-ZDUSSCGKSA-N 1 0 401.510 -0.325 20 0 HBADRO CCc1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001148416800 1071141365 /nfs/dbraw/zinc/14/13/65/1071141365.db2.gz YOQNZDKHROPMNZ-LZDVPDMXSA-N 1 0 414.422 -0.996 20 0 HBADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccc(NC(N)=[NH2+])cc1)C2 ZINC001148646339 1071142222 /nfs/dbraw/zinc/14/22/22/1071142222.db2.gz DFHNNCUJCHVGKQ-UHFFFAOYSA-N 1 0 400.443 -0.156 20 0 HBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001148696871 1071143043 /nfs/dbraw/zinc/14/30/43/1071143043.db2.gz ADUZBASRJYYCDB-UHFFFAOYSA-N 1 0 403.545 -0.004 20 0 HBADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)ccn1 ZINC001148727172 1071143077 /nfs/dbraw/zinc/14/30/77/1071143077.db2.gz JNLTWBFTAAXMGY-CVEARBPZSA-N 1 0 410.496 -0.574 20 0 HBADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)ccn1 ZINC001148727173 1071142917 /nfs/dbraw/zinc/14/29/17/1071142917.db2.gz JNLTWBFTAAXMGY-HOTGVXAUSA-N 1 0 410.496 -0.574 20 0 HBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001148798962 1071143695 /nfs/dbraw/zinc/14/36/95/1071143695.db2.gz BJIRQIKLXVNWFC-MRXNPFEDSA-N 1 0 420.562 -0.168 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC001148882334 1071144534 /nfs/dbraw/zinc/14/45/34/1071144534.db2.gz XSMCREFUWZDGNL-CYBMUJFWSA-N 1 0 412.512 -0.043 20 0 HBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC001148882335 1071144701 /nfs/dbraw/zinc/14/47/01/1071144701.db2.gz XSMCREFUWZDGNL-ZDUSSCGKSA-N 1 0 412.512 -0.043 20 0 HBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001148891904 1071144689 /nfs/dbraw/zinc/14/46/89/1071144689.db2.gz IGRXXWHXGUMOIC-UHFFFAOYSA-N 1 0 407.519 -0.078 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H]1c1ccnn1C ZINC001149005188 1071145620 /nfs/dbraw/zinc/14/56/20/1071145620.db2.gz YEFFHLNMJSKDND-MOPGFXCFSA-N 1 0 406.531 -0.149 20 0 HBADRO CC[NH+]1CCN(c2ccc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001149011715 1071145531 /nfs/dbraw/zinc/14/55/31/1071145531.db2.gz SVFCYTRDOILTGH-RHFVWNJJSA-N 1 0 423.510 -0.598 20 0 HBADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC001149108248 1071082219 /nfs/dbraw/zinc/08/22/19/1071082219.db2.gz IZICCJRFHCSLQG-KSZLIROESA-N 1 0 417.572 -0.166 20 0 HBADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC001149108249 1071081972 /nfs/dbraw/zinc/08/19/72/1071081972.db2.gz IZICCJRFHCSLQG-KURKYZTESA-N 1 0 417.572 -0.166 20 0 HBADRO C[NH+](C)CCCN(C(=O)CNS(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001149109286 1071105205 /nfs/dbraw/zinc/10/52/05/1071105205.db2.gz TYKBDFYDFKJPCP-AWEZNQCLSA-N 1 0 418.541 -0.673 20 0 HBADRO C[NH+](C)CCCN(C(=O)CNS(=O)(=O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001149109288 1071105235 /nfs/dbraw/zinc/10/52/35/1071105235.db2.gz TYKBDFYDFKJPCP-CQSZACIVSA-N 1 0 418.541 -0.673 20 0 HBADRO CCS(=O)(=O)N1CCC(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001156250451 1070126414 /nfs/dbraw/zinc/12/64/14/1070126414.db2.gz AJWZQTFLLUWUIQ-UHFFFAOYSA-N 1 0 417.557 -0.206 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863446 1070551045 /nfs/dbraw/zinc/55/10/45/1070551045.db2.gz YNOVWUKWNUHEKY-STQMWFEESA-N 1 0 416.569 -0.336 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157946527 1070611839 /nfs/dbraw/zinc/61/18/39/1070611839.db2.gz OKKSKVQVIYCDCN-AYMQEEERSA-N 1 0 407.602 -0.104 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157946528 1070611706 /nfs/dbraw/zinc/61/17/06/1070611706.db2.gz OKKSKVQVIYCDCN-SZOQZIPDSA-N 1 0 407.602 -0.104 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157946529 1070611764 /nfs/dbraw/zinc/61/17/64/1070611764.db2.gz OKKSKVQVIYCDCN-WSMBLCCSSA-N 1 0 407.602 -0.104 20 0 HBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157946530 1070611788 /nfs/dbraw/zinc/61/17/88/1070611788.db2.gz OKKSKVQVIYCDCN-ZJOBFFGXSA-N 1 0 407.602 -0.104 20 0 HBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160688839 1071054005 /nfs/dbraw/zinc/05/40/05/1071054005.db2.gz INXTUMSJLVGXFW-ZFWWWQNUSA-N 1 0 422.917 -0.162 20 0 HBADRO NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)CCO1 ZINC001160705652 1071054596 /nfs/dbraw/zinc/05/45/96/1071054596.db2.gz YVXQJCJPBBPWAV-RYUDHWBXSA-N 1 0 403.220 -0.126 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)c(=O)[nH]1 ZINC001160999449 1071100410 /nfs/dbraw/zinc/10/04/10/1071100410.db2.gz DUTKTMARPPKGOF-GFCCVEGCSA-N 1 0 417.470 -0.158 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)c(=O)[nH]1 ZINC001160999450 1071100395 /nfs/dbraw/zinc/10/03/95/1071100395.db2.gz DUTKTMARPPKGOF-LBPRGKRZSA-N 1 0 417.470 -0.158 20 0 HBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081426 1071129711 /nfs/dbraw/zinc/12/97/11/1071129711.db2.gz JWHJVERQNHSBKM-HOTGVXAUSA-N 1 0 420.514 -0.036 20 0 HBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001164389168 718809574 /nfs/dbraw/zinc/80/95/74/718809574.db2.gz GDBMXQHAVHXPKM-UHFFFAOYSA-N 1 0 409.846 -0.014 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1=O ZINC001164526836 1069729352 /nfs/dbraw/zinc/72/93/52/1069729352.db2.gz JDGDCYANNMUFTD-UHFFFAOYSA-N 1 0 406.867 -0.028 20 0 HBADRO COCCN1CCN(C)C2(CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164633916 719270139 /nfs/dbraw/zinc/27/01/39/719270139.db2.gz JSNXBMMDDDZEPP-UHFFFAOYSA-N 1 0 403.531 -0.354 20 0 HBADRO COCCN1CCN(C)C2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)C1=O ZINC001164635458 719268720 /nfs/dbraw/zinc/26/87/20/719268720.db2.gz RIFHQPQHUXKWDL-UHFFFAOYSA-N 1 0 417.558 -0.012 20 0 HBADRO COCCN1CCN(C)C2(CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164640152 719276138 /nfs/dbraw/zinc/27/61/38/719276138.db2.gz NVUJJUPJIJYLPC-UHFFFAOYSA-N 1 0 403.531 -0.354 20 0 HBADRO CN1CCN(c2nccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)n2)CC1 ZINC001164655549 719327050 /nfs/dbraw/zinc/32/70/50/719327050.db2.gz QMZBBAZIACNGIC-UHFFFAOYSA-N 1 0 407.500 -0.172 20 0 HBADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001164698806 719827477 /nfs/dbraw/zinc/82/74/77/719827477.db2.gz VALQAJYZAQVJMI-INIZCTEOSA-N 1 0 414.514 -0.176 20 0 HBADRO COCCNC(=O)[C@H]1Cn2nccc2CN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001164698808 719827422 /nfs/dbraw/zinc/82/74/22/719827422.db2.gz VALQAJYZAQVJMI-MRXNPFEDSA-N 1 0 414.514 -0.176 20 0 HBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164705278 719929678 /nfs/dbraw/zinc/92/96/78/719929678.db2.gz XJOXIDVARZJELV-UHFFFAOYSA-N 1 0 410.526 -0.151 20 0 HBADRO Cn1nnc2c1CCN(c1ccc(S(N)(=O)=O)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716699 720201324 /nfs/dbraw/zinc/20/13/24/720201324.db2.gz RTHDTEALQRAZIA-AWEZNQCLSA-N 1 0 422.515 -0.531 20 0 HBADRO Cn1nnc2c1CCN(c1ccc(S(N)(=O)=O)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716706 720201873 /nfs/dbraw/zinc/20/18/73/720201873.db2.gz RTHDTEALQRAZIA-CQSZACIVSA-N 1 0 422.515 -0.531 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719270 720225827 /nfs/dbraw/zinc/22/58/27/720225827.db2.gz PYSWWMVWZRJRIG-FQEVSTJZSA-N 1 0 403.531 -0.449 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719271 720224999 /nfs/dbraw/zinc/22/49/99/720224999.db2.gz PYSWWMVWZRJRIG-HXUWFJFHSA-N 1 0 403.531 -0.449 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719834 720255247 /nfs/dbraw/zinc/25/52/47/720255247.db2.gz PMQANQIAYBJHIV-FQEVSTJZSA-N 1 0 403.531 -0.449 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719835 720256092 /nfs/dbraw/zinc/25/60/92/720256092.db2.gz PMQANQIAYBJHIV-HXUWFJFHSA-N 1 0 403.531 -0.449 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720320 720217253 /nfs/dbraw/zinc/21/72/53/720217253.db2.gz YGTJHROGZWZZKS-NRFANRHFSA-N 1 0 417.558 -0.107 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720321 720217788 /nfs/dbraw/zinc/21/77/88/720217788.db2.gz YGTJHROGZWZZKS-OAQYLSRUSA-N 1 0 417.558 -0.107 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164735525 720527427 /nfs/dbraw/zinc/52/74/27/720527427.db2.gz ZDZRRFVZDQSDJG-GFCCVEGCSA-N 1 0 408.484 -0.090 20 0 HBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164735526 720527632 /nfs/dbraw/zinc/52/76/32/720527632.db2.gz ZDZRRFVZDQSDJG-LBPRGKRZSA-N 1 0 408.484 -0.090 20 0 HBADRO CNS(=O)(=O)c1cccnc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749673 720959182 /nfs/dbraw/zinc/95/91/82/720959182.db2.gz GIZKCLQPTFVTGQ-UHFFFAOYSA-N 1 0 408.484 -0.168 20 0 HBADRO CN1CC(=O)Nc2cnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc21 ZINC001164750554 720958031 /nfs/dbraw/zinc/95/80/31/720958031.db2.gz KZVUZEUYUQYYME-UHFFFAOYSA-N 1 0 400.443 -0.293 20 0 HBADRO COc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(S(C)(=O)=O)n1 ZINC001164751547 720955983 /nfs/dbraw/zinc/95/59/83/720955983.db2.gz QALPCMPRNKFHSQ-UHFFFAOYSA-N 1 0 424.483 -0.269 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164753207 720969683 /nfs/dbraw/zinc/96/96/83/720969683.db2.gz AYYJSYNMGRSGAP-UHFFFAOYSA-N 1 0 412.447 -0.290 20 0 HBADRO CNS(=O)(=O)c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164753435 720962545 /nfs/dbraw/zinc/96/25/45/720962545.db2.gz FKEUTTYCQHJZNJ-UHFFFAOYSA-N 1 0 408.484 -0.168 20 0 HBADRO COc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(S(C)(=O)=O)n1 ZINC001164794519 721514101 /nfs/dbraw/zinc/51/41/01/721514101.db2.gz RQHJHUWNXIPNIS-UHFFFAOYSA-N 1 0 421.527 -0.147 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(S(N)(=O)=O)cc2F)CC3)CC1 ZINC001164794703 721522432 /nfs/dbraw/zinc/52/24/32/721522432.db2.gz GQXMWPDVYAAECK-UHFFFAOYSA-N 1 0 409.491 -0.168 20 0 HBADRO CNS(=O)(=O)c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164796726 721518451 /nfs/dbraw/zinc/51/84/51/721518451.db2.gz AOMMTPNOFKHZKD-UHFFFAOYSA-N 1 0 405.528 -0.046 20 0 HBADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)nn2)CC1 ZINC001164797656 721594740 /nfs/dbraw/zinc/59/47/40/721594740.db2.gz HHXPPKKPESSLQA-IKGGRYGDSA-N 1 0 402.499 -0.177 20 0 HBADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)nn2)CC1 ZINC001164797657 721594782 /nfs/dbraw/zinc/59/47/82/721594782.db2.gz HHXPPKKPESSLQA-IXDOHACOSA-N 1 0 402.499 -0.177 20 0 HBADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)nn2)CC1 ZINC001164797658 721594666 /nfs/dbraw/zinc/59/46/66/721594666.db2.gz HHXPPKKPESSLQA-ULQDDVLXSA-N 1 0 402.499 -0.177 20 0 HBADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)nn2)CC1 ZINC001164797659 721594767 /nfs/dbraw/zinc/59/47/67/721594767.db2.gz HHXPPKKPESSLQA-YESZJQIVSA-N 1 0 402.499 -0.177 20 0 HBADRO CNS(=O)(=O)c1cccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798381 721515936 /nfs/dbraw/zinc/51/59/36/721515936.db2.gz SUXXLYQFFPZPQH-UHFFFAOYSA-N 1 0 405.528 -0.046 20 0 HBADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)nn2)CC1 ZINC001164804789 721597590 /nfs/dbraw/zinc/59/75/90/721597590.db2.gz YUJZOQTUHHIXFY-BHYGNILZSA-N 1 0 410.482 -0.348 20 0 HBADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)nn2)CC1 ZINC001164804791 721597537 /nfs/dbraw/zinc/59/75/37/721597537.db2.gz YUJZOQTUHHIXFY-HYVNUMGLSA-N 1 0 410.482 -0.348 20 0 HBADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)nn2)CC1 ZINC001164804797 721597597 /nfs/dbraw/zinc/59/75/97/721597597.db2.gz YUJZOQTUHHIXFY-PVAVHDDUSA-N 1 0 410.482 -0.348 20 0 HBADRO C[NH+]1CCN(c2ccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)nn2)CC1 ZINC001164804799 721597604 /nfs/dbraw/zinc/59/76/04/721597604.db2.gz YUJZOQTUHHIXFY-XIRDDKMYSA-N 1 0 410.482 -0.348 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(N)(=O)=O)nn1)CCC2 ZINC001164816082 720242746 /nfs/dbraw/zinc/24/27/46/720242746.db2.gz GAXSTOUCVIBWDG-UHFFFAOYSA-N 1 0 407.500 -0.069 20 0 HBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC001164869416 721269423 /nfs/dbraw/zinc/26/94/23/721269423.db2.gz NULLLVLFCFTVIV-UHFFFAOYSA-N 1 0 411.528 -0.264 20 0 HBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncccc3S(N)(=O)=O)CC2)C1 ZINC001164869826 721263294 /nfs/dbraw/zinc/26/32/94/721263294.db2.gz PAFGUVFSTDTLPL-UHFFFAOYSA-N 1 0 411.528 -0.264 20 0 HBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(S(N)(=O)=O)ccn3)CC2)C1 ZINC001164874794 721288141 /nfs/dbraw/zinc/28/81/41/721288141.db2.gz CJQLUXRMNGXMCQ-UHFFFAOYSA-N 1 0 411.528 -0.264 20 0 HBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(S(N)(=O)=O)nn3)CC2)C1 ZINC001164874826 721290078 /nfs/dbraw/zinc/29/00/78/721290078.db2.gz DAXYHBOCRVTCIG-UHFFFAOYSA-N 1 0 412.516 -0.869 20 0 HBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(S(N)(=O)=O)n3)CC2)C1 ZINC001164878700 721292958 /nfs/dbraw/zinc/29/29/58/721292958.db2.gz TYTXCIIJEGXHMG-UHFFFAOYSA-N 1 0 411.528 -0.264 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890796 721443727 /nfs/dbraw/zinc/44/37/27/721443727.db2.gz FUYXVLDLWCDCNG-CRAIPNDOSA-N 1 0 410.544 -0.111 20 0 HBADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890797 721443452 /nfs/dbraw/zinc/44/34/52/721443452.db2.gz FUYXVLDLWCDCNG-MAUKXSAKSA-N 1 0 410.544 -0.111 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890798 721443578 /nfs/dbraw/zinc/44/35/78/721443578.db2.gz FUYXVLDLWCDCNG-QAPCUYQASA-N 1 0 410.544 -0.111 20 0 HBADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890799 721443407 /nfs/dbraw/zinc/44/34/07/721443407.db2.gz FUYXVLDLWCDCNG-YJBOKZPZSA-N 1 0 410.544 -0.111 20 0 HBADRO COCCN1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1=O ZINC001164923807 721841562 /nfs/dbraw/zinc/84/15/62/721841562.db2.gz WQBYHBOFZSECJO-DLBZAZTESA-N 1 0 404.515 -0.072 20 0 HBADRO COCCN1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1=O ZINC001164923808 721841740 /nfs/dbraw/zinc/84/17/40/721841740.db2.gz WQBYHBOFZSECJO-IAGOWNOFSA-N 1 0 404.515 -0.072 20 0 HBADRO COCCN1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1=O ZINC001164923809 721841669 /nfs/dbraw/zinc/84/16/69/721841669.db2.gz WQBYHBOFZSECJO-IRXDYDNUSA-N 1 0 404.515 -0.072 20 0 HBADRO COCCN1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1=O ZINC001164923810 721841638 /nfs/dbraw/zinc/84/16/38/721841638.db2.gz WQBYHBOFZSECJO-SJORKVTESA-N 1 0 404.515 -0.072 20 0 HBADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C1 ZINC001164954756 721987325 /nfs/dbraw/zinc/98/73/25/721987325.db2.gz WSASLNVDGGJMDP-CVEARBPZSA-N 1 0 409.560 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C1 ZINC001164954757 721987240 /nfs/dbraw/zinc/98/72/40/721987240.db2.gz WSASLNVDGGJMDP-HOTGVXAUSA-N 1 0 409.560 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C1 ZINC001164954758 721987302 /nfs/dbraw/zinc/98/73/02/721987302.db2.gz WSASLNVDGGJMDP-HZPDHXFCSA-N 1 0 409.560 -0.207 20 0 HBADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C1 ZINC001164954759 721987149 /nfs/dbraw/zinc/98/71/49/721987149.db2.gz WSASLNVDGGJMDP-JKSUJKDBSA-N 1 0 409.560 -0.207 20 0 HBADRO CS(=O)(=O)c1nc2c(c(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)n1)CC[NH2+]CC2 ZINC001164966216 722067232 /nfs/dbraw/zinc/06/72/32/722067232.db2.gz YYVMBJYSYKAJMR-GASCZTMLSA-N 1 0 407.540 -0.132 20 0 HBADRO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164977876 722159659 /nfs/dbraw/zinc/15/96/59/722159659.db2.gz YYUQIKJEOSZXDT-UHFFFAOYSA-N 1 0 412.498 -0.046 20 0 HBADRO CN(C)C(=O)COCc1nnc2n1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165011071 721722769 /nfs/dbraw/zinc/72/27/69/721722769.db2.gz NMQGLFICLCAZGF-UHFFFAOYSA-N 1 0 415.502 -0.555 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](O)[C@@H]([NH3+])C2)CN1 ZINC001167090029 1068266026 /nfs/dbraw/zinc/26/60/26/1068266026.db2.gz YRDOEIOMNBUYIT-GUYJKWIASA-N 1 0 403.439 -0.571 20 0 HBADRO COC(=O)c1cc2c(ncnc2N2C[C@@H](O)[C@@H]([NH3+])C2)n1S(=O)(=O)c1ccccc1 ZINC001167093276 1068268186 /nfs/dbraw/zinc/26/81/86/1068268186.db2.gz RJQSPIMRVSQIDW-DZGCQCFKSA-N 1 0 417.447 -0.037 20 0 HBADRO CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)C1CCS(=O)(=O)CC1 ZINC001167100273 1068274345 /nfs/dbraw/zinc/27/43/45/1068274345.db2.gz QBCRYHMUXZGWDB-UHFFFAOYSA-N 1 0 412.516 -0.442 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1=O ZINC001167105266 1068280797 /nfs/dbraw/zinc/28/07/97/1068280797.db2.gz MXKKVWITLJBWFP-HMDCTGQHSA-N 1 0 413.540 -0.410 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1=O ZINC001167105267 1068280897 /nfs/dbraw/zinc/28/08/97/1068280897.db2.gz MXKKVWITLJBWFP-NNXHMXCWSA-N 1 0 413.540 -0.410 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1=O ZINC001167105269 1068280918 /nfs/dbraw/zinc/28/09/18/1068280918.db2.gz MXKKVWITLJBWFP-UUAJXVIYSA-N 1 0 413.540 -0.410 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1=O ZINC001167105271 1068280865 /nfs/dbraw/zinc/28/08/65/1068280865.db2.gz MXKKVWITLJBWFP-VIQHNZTISA-N 1 0 413.540 -0.410 20 0 HBADRO CS(=O)(=O)c1nc2c(c(N3CCC(OCC(=O)NC4CC4)CC3)n1)CC[NH2+]CC2 ZINC001167143254 1068289534 /nfs/dbraw/zinc/28/95/34/1068289534.db2.gz PCTFLXCIDMBQSD-UHFFFAOYSA-N 1 0 423.539 -0.168 20 0 HBADRO COC(=O)[C@H]1COCCC12CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001167161886 1068294743 /nfs/dbraw/zinc/29/47/43/1068294743.db2.gz BQWFIFLKPDTAKS-CYBMUJFWSA-N 1 0 410.496 -0.416 20 0 HBADRO COC(=O)[C@@H]1COCCC12CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001167161888 1068294530 /nfs/dbraw/zinc/29/45/30/1068294530.db2.gz BQWFIFLKPDTAKS-ZDUSSCGKSA-N 1 0 410.496 -0.416 20 0 HBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001167196887 1068299421 /nfs/dbraw/zinc/29/94/21/1068299421.db2.gz IXIQDVPSAVEMCI-AWEZNQCLSA-N 1 0 408.480 -0.707 20 0 HBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001167196889 1068299361 /nfs/dbraw/zinc/29/93/61/1068299361.db2.gz IXIQDVPSAVEMCI-CQSZACIVSA-N 1 0 408.480 -0.707 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001167259655 1068306312 /nfs/dbraw/zinc/30/63/12/1068306312.db2.gz DYDNLECTYFEGKS-KRWDZBQOSA-N 1 0 423.539 -0.062 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2=O)cn1 ZINC001167259681 1068306402 /nfs/dbraw/zinc/30/64/02/1068306402.db2.gz FTPUMJOFXWBSAQ-HOCLYGCPSA-N 1 0 406.487 -0.662 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2=O)cn1 ZINC001167259686 1068306499 /nfs/dbraw/zinc/30/64/99/1068306499.db2.gz FTPUMJOFXWBSAQ-ZBFHGGJFSA-N 1 0 406.487 -0.662 20 0 HBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC001167260421 1068307129 /nfs/dbraw/zinc/30/71/29/1068307129.db2.gz VKSYPJSPAQNVCE-INIZCTEOSA-N 1 0 404.467 -0.174 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2=O)cn1 ZINC001167352192 1068372469 /nfs/dbraw/zinc/37/24/69/1068372469.db2.gz DYDHRHKOXWXGOB-CRAIPNDOSA-N 1 0 405.499 -0.060 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2=O)cn1 ZINC001167352193 1068372771 /nfs/dbraw/zinc/37/27/71/1068372771.db2.gz DYDHRHKOXWXGOB-MAUKXSAKSA-N 1 0 405.499 -0.060 20 0 HBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2=O)cn1 ZINC001167352194 1068372724 /nfs/dbraw/zinc/37/27/24/1068372724.db2.gz DYDHRHKOXWXGOB-QAPCUYQASA-N 1 0 405.499 -0.060 20 0 HBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2=O)cn1 ZINC001167352195 1068373369 /nfs/dbraw/zinc/37/33/69/1068373369.db2.gz DYDHRHKOXWXGOB-YJBOKZPZSA-N 1 0 405.499 -0.060 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001167353361 1068374865 /nfs/dbraw/zinc/37/48/65/1068374865.db2.gz UNZGBDYUMLBUGB-KRWDZBQOSA-N 1 0 424.523 -0.019 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001167353362 1068374711 /nfs/dbraw/zinc/37/47/11/1068374711.db2.gz UNZGBDYUMLBUGB-QGZVFWFLSA-N 1 0 424.523 -0.019 20 0 HBADRO CC(C)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC001167378954 1068388103 /nfs/dbraw/zinc/38/81/03/1068388103.db2.gz IIFVUFDYUIBWPJ-HNNXBMFYSA-N 1 0 403.526 -0.175 20 0 HBADRO CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC001167378955 1068387870 /nfs/dbraw/zinc/38/78/70/1068387870.db2.gz IIFVUFDYUIBWPJ-OAHLLOKOSA-N 1 0 403.526 -0.175 20 0 HBADRO CN1CC[N@H+](C)CC(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1 ZINC001167488679 1068540032 /nfs/dbraw/zinc/54/00/32/1068540032.db2.gz XAKYTINHJWWMIT-UHFFFAOYSA-N 1 0 423.583 -0.398 20 0 HBADRO CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1ccc(CC(N)=O)nn1 ZINC001167524489 1068645784 /nfs/dbraw/zinc/64/57/84/1068645784.db2.gz GIFOVDHZYBENCS-UHFFFAOYSA-N 1 0 402.480 -0.001 20 0 HBADRO C[NH2+]CCNc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001167723625 1069062566 /nfs/dbraw/zinc/06/25/66/1069062566.db2.gz BVGHCBFBNPKAGC-UHFFFAOYSA-N 1 0 423.240 -0.250 20 0 HBADRO CCOC(=O)C1CCN(S(=O)(=O)c2cccnc2-n2nnc(CC[NH3+])n2)CC1 ZINC001167791538 1069239043 /nfs/dbraw/zinc/23/90/43/1069239043.db2.gz OQUPAQANCYPDQQ-UHFFFAOYSA-N 1 0 409.472 -0.478 20 0 HBADRO COc1cccc(C(=O)N2CCC([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)c1 ZINC001167867640 1069290412 /nfs/dbraw/zinc/29/04/12/1069290412.db2.gz QRQXMANRVSRXMU-CBUQMUQRSA-N 1 0 424.494 -0.267 20 0 HBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(NC=[NH2+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001167871083 1069290932 /nfs/dbraw/zinc/29/09/32/1069290932.db2.gz HVWFULOWVNYTET-RGCMKSIDSA-N 1 0 412.355 -0.708 20 0 HBADRO CS(=O)(=O)N1CCN(c2cccc(NCCNC(=O)N3CCOCC3)[nH+]2)CC1 ZINC001167888457 1069299697 /nfs/dbraw/zinc/29/96/97/1069299697.db2.gz PYLJSKRZWGQEID-UHFFFAOYSA-N 1 0 412.516 -0.383 20 0 HBADRO N[C@H]1[C@H](n2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001167970396 1070382401 /nfs/dbraw/zinc/38/24/01/1070382401.db2.gz JGTYRVMWRMQWFC-LOZIBAHKSA-N 1 0 405.499 -0.527 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(=O)[nH]1 ZINC001167970897 1070383309 /nfs/dbraw/zinc/38/33/09/1070383309.db2.gz POTOAYBWLSZJGH-LOZIBAHKSA-N 1 0 406.483 -0.437 20 0 HBADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC001168007665 1070707510 /nfs/dbraw/zinc/70/75/10/1070707510.db2.gz FSDZMFNLEGSCRB-BZUAXINKSA-N 1 0 419.544 -0.290 20 0 HBADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC001168007666 1070707594 /nfs/dbraw/zinc/70/75/94/1070707594.db2.gz FSDZMFNLEGSCRB-OAGGEKHMSA-N 1 0 419.544 -0.290 20 0 HBADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC001168007667 1070707483 /nfs/dbraw/zinc/70/74/83/1070707483.db2.gz FSDZMFNLEGSCRB-OWCLPIDISA-N 1 0 419.544 -0.290 20 0 HBADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC001168007668 1070707517 /nfs/dbraw/zinc/70/75/17/1070707517.db2.gz FSDZMFNLEGSCRB-PMPSAXMXSA-N 1 0 419.544 -0.290 20 0 HBADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC001168007871 1070708676 /nfs/dbraw/zinc/70/86/76/1070708676.db2.gz HTVNCEQQYHKJRO-CABCVRRESA-N 1 0 402.542 -0.455 20 0 HBADRO Cc1ncc(CNC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC001168007878 1070708766 /nfs/dbraw/zinc/70/87/66/1070708766.db2.gz HTVNCEQQYHKJRO-GJZGRUSLSA-N 1 0 402.542 -0.455 20 0 HBADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC001168007882 1070708692 /nfs/dbraw/zinc/70/86/92/1070708692.db2.gz HTVNCEQQYHKJRO-HUUCEWRRSA-N 1 0 402.542 -0.455 20 0 HBADRO Cc1ncc(CNC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC001168007887 1070708801 /nfs/dbraw/zinc/70/88/01/1070708801.db2.gz HTVNCEQQYHKJRO-LSDHHAIUSA-N 1 0 402.542 -0.455 20 0 HBADRO C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC001168045344 1071175424 /nfs/dbraw/zinc/17/54/24/1071175424.db2.gz ZFZXMAVOGKFYKN-BZUAXINKSA-N 1 0 409.574 -0.770 20 0 HBADRO C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC001168045348 1071175291 /nfs/dbraw/zinc/17/52/91/1071175291.db2.gz ZFZXMAVOGKFYKN-OAGGEKHMSA-N 1 0 409.574 -0.770 20 0 HBADRO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC001168045349 1071175446 /nfs/dbraw/zinc/17/54/46/1071175446.db2.gz ZFZXMAVOGKFYKN-OWCLPIDISA-N 1 0 409.574 -0.770 20 0 HBADRO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC001168045351 1071175248 /nfs/dbraw/zinc/17/52/48/1071175248.db2.gz ZFZXMAVOGKFYKN-XHSDSOJGSA-N 1 0 409.574 -0.770 20 0 HBADRO Cn1nc(-n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)c(=O)n(C)c1=O ZINC001168055555 1071247646 /nfs/dbraw/zinc/24/76/46/1071247646.db2.gz HPTHXLJLOUSEHD-UHFFFAOYSA-N 1 0 409.410 -0.942 20 0 HBADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168101462 1069067888 /nfs/dbraw/zinc/06/78/88/1069067888.db2.gz ACDVIRFHSFICQL-CXUGXGMPSA-N 1 0 406.483 -0.433 20 0 HBADRO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168101463 1069067759 /nfs/dbraw/zinc/06/77/59/1069067759.db2.gz ACDVIRFHSFICQL-HPZZRFSDSA-N 1 0 406.483 -0.433 20 0 HBADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168101464 1069067682 /nfs/dbraw/zinc/06/76/82/1069067682.db2.gz ACDVIRFHSFICQL-LBEHMCEESA-N 1 0 406.483 -0.433 20 0 HBADRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168101465 1069067928 /nfs/dbraw/zinc/06/79/28/1069067928.db2.gz ACDVIRFHSFICQL-RMRKRWHISA-N 1 0 406.483 -0.433 20 0 HBADRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001168236231 1069210151 /nfs/dbraw/zinc/21/01/51/1069210151.db2.gz UFJWSQHMKKAIBE-AYCDZVMBSA-N 1 0 412.450 -0.207 20 0 HBADRO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001168236232 1069209999 /nfs/dbraw/zinc/20/99/99/1069209999.db2.gz UFJWSQHMKKAIBE-PYMGOFIGSA-N 1 0 412.450 -0.207 20 0 HBADRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001168261878 1069214365 /nfs/dbraw/zinc/21/43/65/1069214365.db2.gz XBAHBIZNIFIXFQ-AYCDZVMBSA-N 1 0 412.450 -0.207 20 0 HBADRO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001168261879 1069214552 /nfs/dbraw/zinc/21/45/52/1069214552.db2.gz XBAHBIZNIFIXFQ-PYMGOFIGSA-N 1 0 412.450 -0.207 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001168285295 1069386245 /nfs/dbraw/zinc/38/62/45/1069386245.db2.gz SGHSCOACOPGGMO-BRWVUGGUSA-N 1 0 402.561 -0.290 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001168285296 1069386305 /nfs/dbraw/zinc/38/63/05/1069386305.db2.gz SGHSCOACOPGGMO-IKGGRYGDSA-N 1 0 402.561 -0.290 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001168285297 1069386199 /nfs/dbraw/zinc/38/61/99/1069386199.db2.gz SGHSCOACOPGGMO-IXDOHACOSA-N 1 0 402.561 -0.290 20 0 HBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001168285298 1069386283 /nfs/dbraw/zinc/38/62/83/1069386283.db2.gz SGHSCOACOPGGMO-ZACQAIPSSA-N 1 0 402.561 -0.290 20 0 HBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC001168300963 1069394064 /nfs/dbraw/zinc/39/40/64/1069394064.db2.gz QHPMACPEXCCLAE-AWEZNQCLSA-N 1 0 401.533 -0.314 20 0 HBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC001168300964 1069394181 /nfs/dbraw/zinc/39/41/81/1069394181.db2.gz QHPMACPEXCCLAE-CQSZACIVSA-N 1 0 401.533 -0.314 20 0 HBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC001168301345 1069394450 /nfs/dbraw/zinc/39/44/50/1069394450.db2.gz UHXZFCGEAMWZTP-UHFFFAOYSA-N 1 0 400.501 -0.546 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CC[N@H+](C)CCO ZINC001168339942 1069438970 /nfs/dbraw/zinc/43/89/70/1069438970.db2.gz NLJJOOCQGXBQBZ-UHFFFAOYSA-N 1 0 415.512 -0.288 20 0 HBADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001168351044 1069459814 /nfs/dbraw/zinc/45/98/14/1069459814.db2.gz ZTVFRMJTRMQBJL-ZBFHGGJFSA-N 1 0 403.476 -0.668 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168356014 1069545956 /nfs/dbraw/zinc/54/59/56/1069545956.db2.gz IXTXGIFDWAKASD-NPNMTCQASA-N 1 0 403.487 -0.508 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC001168372384 1070535120 /nfs/dbraw/zinc/53/51/20/1070535120.db2.gz WEQXUUGGSGESGR-OALUTQOASA-N 1 0 404.511 -0.270 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@H]1O ZINC001168372504 1070535574 /nfs/dbraw/zinc/53/55/74/1070535574.db2.gz ZCCXEDFCUNBQOK-NPNMTCQASA-N 1 0 403.487 -0.508 20 0 HBADRO C[C@H](Cc1cccc(F)c1)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001168460477 1071592566 /nfs/dbraw/zinc/59/25/66/1071592566.db2.gz TXIGBDGHCYRMHY-GESXYEBJSA-N 1 0 418.429 -0.304 20 0 HBADRO C[C@@H](Cc1cccc(F)c1)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001168460481 1071592404 /nfs/dbraw/zinc/59/24/04/1071592404.db2.gz TXIGBDGHCYRMHY-QTPBGHOSSA-N 1 0 418.429 -0.304 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001168576855 1069072000 /nfs/dbraw/zinc/07/20/00/1069072000.db2.gz IPZAPOWNMZQAOZ-CYBMUJFWSA-N 1 0 407.537 -0.385 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001168576857 1069071963 /nfs/dbraw/zinc/07/19/63/1069071963.db2.gz IPZAPOWNMZQAOZ-ZDUSSCGKSA-N 1 0 407.537 -0.385 20 0 HBADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([NH+]2CCOCC2)CC1 ZINC001168663005 1069187950 /nfs/dbraw/zinc/18/79/50/1069187950.db2.gz FGCTUDJHXFCOFQ-HNNXBMFYSA-N 1 0 412.512 -0.525 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([NH+]2CCOCC2)CC1 ZINC001168663006 1069188008 /nfs/dbraw/zinc/18/80/08/1069188008.db2.gz FGCTUDJHXFCOFQ-OAHLLOKOSA-N 1 0 412.512 -0.525 20 0 HBADRO COC(=O)C1(C)CCC([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC1 ZINC001168752589 1069433055 /nfs/dbraw/zinc/43/30/55/1069433055.db2.gz PDUWHPDGVDUHLB-QBRKBLESSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)C1(C)CCC([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001168772287 1069998963 /nfs/dbraw/zinc/99/89/63/1069998963.db2.gz HQQZKASOVYEDHM-QBRKBLESSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)C1(C)CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001168772808 1070015671 /nfs/dbraw/zinc/01/56/71/1070015671.db2.gz PKGPZBWVRCTJTB-ZZUNWWICSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168824232 1070121483 /nfs/dbraw/zinc/12/14/83/1070121483.db2.gz NWTJRIKQYQTCAP-CHWSQXEVSA-N 1 0 400.476 -0.231 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168824233 1070121293 /nfs/dbraw/zinc/12/12/93/1070121293.db2.gz NWTJRIKQYQTCAP-OLZOCXBDSA-N 1 0 400.476 -0.231 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168824234 1070121394 /nfs/dbraw/zinc/12/13/94/1070121394.db2.gz NWTJRIKQYQTCAP-QWHCGFSZSA-N 1 0 400.476 -0.231 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168824235 1070121422 /nfs/dbraw/zinc/12/14/22/1070121422.db2.gz NWTJRIKQYQTCAP-STQMWFEESA-N 1 0 400.476 -0.231 20 0 HBADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001168839691 1070121215 /nfs/dbraw/zinc/12/12/15/1070121215.db2.gz MUANMJZHEOUCQG-IHRRRGAJSA-N 1 0 411.503 -0.434 20 0 HBADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001168839692 1070121386 /nfs/dbraw/zinc/12/13/86/1070121386.db2.gz MUANMJZHEOUCQG-MCIONIFRSA-N 1 0 411.503 -0.434 20 0 HBADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001168839693 1070121448 /nfs/dbraw/zinc/12/14/48/1070121448.db2.gz MUANMJZHEOUCQG-MJBXVCDLSA-N 1 0 411.503 -0.434 20 0 HBADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001168839694 1070121462 /nfs/dbraw/zinc/12/14/62/1070121462.db2.gz MUANMJZHEOUCQG-RDBSUJKOSA-N 1 0 411.503 -0.434 20 0 HBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nn1ccc(=O)[nH]c1=O ZINC001168868665 1070121432 /nfs/dbraw/zinc/12/14/32/1070121432.db2.gz GQAAJJAHLUKKPB-UHFFFAOYSA-N 1 0 409.468 -0.129 20 0 HBADRO COC(=O)CNS(=O)(=O)c1ccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)nc1 ZINC001168878499 1070122207 /nfs/dbraw/zinc/12/22/07/1070122207.db2.gz CXIGWXKWKHZAFV-UHFFFAOYSA-N 1 0 403.424 -0.366 20 0 HBADRO COc1ccc(CN2CC[C@@H]([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)cc1 ZINC001168919834 1070122236 /nfs/dbraw/zinc/12/22/36/1070122236.db2.gz KSAXIXWUXIVAHL-WMZPXEFJSA-N 1 0 424.494 -0.380 20 0 HBADRO COc1ccc(CN2CC[C@H]([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)cc1 ZINC001168919835 1070122073 /nfs/dbraw/zinc/12/20/73/1070122073.db2.gz KSAXIXWUXIVAHL-YERQHEIISA-N 1 0 424.494 -0.380 20 0 HBADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CCCCCO)CC1 ZINC001169051027 1070126407 /nfs/dbraw/zinc/12/64/07/1070126407.db2.gz WLOITZBFBMMNSE-HNNXBMFYSA-N 1 0 414.528 -0.541 20 0 HBADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CCCCCO)CC1 ZINC001169051028 1070126302 /nfs/dbraw/zinc/12/63/02/1070126302.db2.gz WLOITZBFBMMNSE-OAHLLOKOSA-N 1 0 414.528 -0.541 20 0 HBADRO COC(=O)c1ccc2c(n1)nc(-n1cncc1C[C@@H]([NH3+])CO)nc2N1CCOCC1 ZINC001169072447 1070126389 /nfs/dbraw/zinc/12/63/89/1070126389.db2.gz SGFCYZQKRQFXIO-GFCCVEGCSA-N 1 0 413.438 -0.304 20 0 HBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1O ZINC001169108208 1070127201 /nfs/dbraw/zinc/12/72/01/1070127201.db2.gz PIJHLAHFKNKRNZ-TTZHZZLRSA-N 1 0 417.514 -0.274 20 0 HBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1O ZINC001169108211 1070127252 /nfs/dbraw/zinc/12/72/52/1070127252.db2.gz PIJHLAHFKNKRNZ-WMLVEERVSA-N 1 0 417.514 -0.274 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124659 1070127379 /nfs/dbraw/zinc/12/73/79/1070127379.db2.gz SAPVNBFVVNOWIF-IQVDAOPISA-N 1 0 404.511 -0.131 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124664 1070127324 /nfs/dbraw/zinc/12/73/24/1070127324.db2.gz SAPVNBFVVNOWIF-IUWBYPOXSA-N 1 0 404.511 -0.131 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(CC[NH3+])S(C)(=O)=O ZINC001169160464 1070128270 /nfs/dbraw/zinc/12/82/70/1070128270.db2.gz GHDOLCAYYYSYLG-GFCCVEGCSA-N 1 0 400.505 -0.787 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(CC[NH3+])S(C)(=O)=O ZINC001169160465 1070128104 /nfs/dbraw/zinc/12/81/04/1070128104.db2.gz GHDOLCAYYYSYLG-LBPRGKRZSA-N 1 0 400.505 -0.787 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001169161266 1070128163 /nfs/dbraw/zinc/12/81/63/1070128163.db2.gz ARAWYHJCMYDKKM-AWEZNQCLSA-N 1 0 420.514 -0.136 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001169161267 1070128092 /nfs/dbraw/zinc/12/80/92/1070128092.db2.gz ARAWYHJCMYDKKM-CQSZACIVSA-N 1 0 420.514 -0.136 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CCOCC1 ZINC001169162020 1070128173 /nfs/dbraw/zinc/12/81/73/1070128173.db2.gz RPOZBFKVQPYIOB-HNNXBMFYSA-N 1 0 420.514 -0.169 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CCOCC1 ZINC001169162023 1070128250 /nfs/dbraw/zinc/12/82/50/1070128250.db2.gz RPOZBFKVQPYIOB-OAHLLOKOSA-N 1 0 420.514 -0.169 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCN(CCO)CCO ZINC001169163696 1070128137 /nfs/dbraw/zinc/12/81/37/1070128137.db2.gz RZCPUZDFEWFFEX-INIZCTEOSA-N 1 0 424.546 -0.741 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCN(CCO)CCO ZINC001169163697 1070128217 /nfs/dbraw/zinc/12/82/17/1070128217.db2.gz RZCPUZDFEWFFEX-MRXNPFEDSA-N 1 0 424.546 -0.741 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)S(=O)(=O)CC[NH3+] ZINC001169166214 1070128966 /nfs/dbraw/zinc/12/89/66/1070128966.db2.gz AGGJGVLQPLHPSV-GFCCVEGCSA-N 1 0 400.505 -0.787 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)S(=O)(=O)CC[NH3+] ZINC001169166220 1070129019 /nfs/dbraw/zinc/12/90/19/1070129019.db2.gz AGGJGVLQPLHPSV-LBPRGKRZSA-N 1 0 400.505 -0.787 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001169167559 1070129006 /nfs/dbraw/zinc/12/90/06/1070129006.db2.gz JJESUFMKLXCDLW-AWEZNQCLSA-N 1 0 406.487 -0.559 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)N1CCOCC1 ZINC001169167562 1070128978 /nfs/dbraw/zinc/12/89/78/1070128978.db2.gz JJESUFMKLXCDLW-CQSZACIVSA-N 1 0 406.487 -0.559 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCO ZINC001169170951 1070129946 /nfs/dbraw/zinc/12/99/46/1070129946.db2.gz BPHDYBBKBQKPRI-HNNXBMFYSA-N 1 0 411.503 -0.392 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCO ZINC001169170952 1070130570 /nfs/dbraw/zinc/13/05/70/1070130570.db2.gz BPHDYBBKBQKPRI-OAHLLOKOSA-N 1 0 411.503 -0.392 20 0 HBADRO CCOC(=O)CNC(=O)C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169171265 1070130576 /nfs/dbraw/zinc/13/05/76/1070130576.db2.gz DVKAWQLLMJATRF-CYBMUJFWSA-N 1 0 422.486 -0.739 20 0 HBADRO CCOC(=O)CNC(=O)C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169171266 1070130598 /nfs/dbraw/zinc/13/05/98/1070130598.db2.gz DVKAWQLLMJATRF-ZDUSSCGKSA-N 1 0 422.486 -0.739 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1C(=O)C=CC1=O ZINC001169171956 1070130532 /nfs/dbraw/zinc/13/05/32/1070130532.db2.gz INYCTWWWSYJPSK-CYBMUJFWSA-N 1 0 402.455 -0.493 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1C(=O)C=CC1=O ZINC001169171957 1070130585 /nfs/dbraw/zinc/13/05/85/1070130585.db2.gz INYCTWWWSYJPSK-ZDUSSCGKSA-N 1 0 402.455 -0.493 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001169172538 1070130595 /nfs/dbraw/zinc/13/05/95/1070130595.db2.gz PZHWJIIJHLMYOW-GFCCVEGCSA-N 1 0 412.516 -0.774 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001169172539 1070130519 /nfs/dbraw/zinc/13/05/19/1070130519.db2.gz PZHWJIIJHLMYOW-LBPRGKRZSA-N 1 0 412.516 -0.774 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])N1CCN(C)CC1 ZINC001169172863 1070130542 /nfs/dbraw/zinc/13/05/42/1070130542.db2.gz WKHIYJVBZMYKQB-AWEZNQCLSA-N 1 0 404.519 -0.236 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])N1CCN(C)CC1 ZINC001169172864 1070130525 /nfs/dbraw/zinc/13/05/25/1070130525.db2.gz WKHIYJVBZMYKQB-CQSZACIVSA-N 1 0 404.519 -0.236 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCS(=O)(=O)N(C)C ZINC001169173023 1070130573 /nfs/dbraw/zinc/13/05/73/1070130573.db2.gz XOHBXMZQIFQAQC-CYBMUJFWSA-N 1 0 414.532 -0.527 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCS(=O)(=O)N(C)C ZINC001169173024 1070130589 /nfs/dbraw/zinc/13/05/89/1070130589.db2.gz XOHBXMZQIFQAQC-ZDUSSCGKSA-N 1 0 414.532 -0.527 20 0 HBADRO COC(=O)[C@@H](CCC[NH3+])N[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169173031 1070130535 /nfs/dbraw/zinc/13/05/35/1070130535.db2.gz XVRYXZQQEWOCPX-UONOGXRCSA-N 1 0 408.503 -0.137 20 0 HBADRO COC(=O)[C@@H](CCC[NH3+])N[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169173032 1070130559 /nfs/dbraw/zinc/13/05/59/1070130559.db2.gz XVRYXZQQEWOCPX-ZIAGYGMSSA-N 1 0 408.503 -0.137 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(C(N)=O)CCOCC1 ZINC001169177682 1070131417 /nfs/dbraw/zinc/13/14/17/1070131417.db2.gz UKQGZXGYAJDZGK-CYBMUJFWSA-N 1 0 406.487 -0.383 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1(C(N)=O)CCOCC1 ZINC001169177683 1070131370 /nfs/dbraw/zinc/13/13/70/1070131370.db2.gz UKQGZXGYAJDZGK-ZDUSSCGKSA-N 1 0 406.487 -0.383 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cncc1C[C@@H]([NH3+])CO ZINC001169178743 1070131332 /nfs/dbraw/zinc/13/13/32/1070131332.db2.gz ZPDYVWVNMTXGCD-UONOGXRCSA-N 1 0 403.487 -0.076 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cncc1C[C@@H]([NH3+])CO ZINC001169178749 1070131341 /nfs/dbraw/zinc/13/13/41/1070131341.db2.gz ZPDYVWVNMTXGCD-ZIAGYGMSSA-N 1 0 403.487 -0.076 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CC2(COC2)C1 ZINC001169180761 1070131423 /nfs/dbraw/zinc/13/14/23/1070131423.db2.gz JOVJVBIOLTVVGV-HNNXBMFYSA-N 1 0 404.515 -0.086 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CC2(COC2)C1 ZINC001169180762 1070131385 /nfs/dbraw/zinc/13/13/85/1070131385.db2.gz JOVJVBIOLTVVGV-OAHLLOKOSA-N 1 0 404.515 -0.086 20 0 HBADRO CCOC(=O)CN(CC[NH3+])[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181365 1070131355 /nfs/dbraw/zinc/13/13/55/1070131355.db2.gz OKQAIUHQDCULHY-AWEZNQCLSA-N 1 0 408.503 -0.184 20 0 HBADRO CCOC(=O)CN(CC[NH3+])[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181366 1070131325 /nfs/dbraw/zinc/13/13/25/1070131325.db2.gz OKQAIUHQDCULHY-CQSZACIVSA-N 1 0 408.503 -0.184 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001169181544 1070131410 /nfs/dbraw/zinc/13/14/10/1070131410.db2.gz QWSPWFSESHLLBW-BLVKFPJESA-N 1 0 404.471 -0.223 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001169181545 1070132021 /nfs/dbraw/zinc/13/20/21/1070132021.db2.gz QWSPWFSESHLLBW-BUXKBTBVSA-N 1 0 404.471 -0.223 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001169181546 1070131934 /nfs/dbraw/zinc/13/19/34/1070131934.db2.gz QWSPWFSESHLLBW-CWTRNNRKSA-N 1 0 404.471 -0.223 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001169181547 1070132097 /nfs/dbraw/zinc/13/20/97/1070132097.db2.gz QWSPWFSESHLLBW-HXPMCKFVSA-N 1 0 404.471 -0.223 20 0 HBADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1cnnnc1)S(N)(=O)=O ZINC001169182189 1070132141 /nfs/dbraw/zinc/13/21/41/1070132141.db2.gz RTYORTQBRQCBBQ-UHFFFAOYSA-N 1 0 416.518 -0.056 20 0 HBADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC001169190554 1070128989 /nfs/dbraw/zinc/12/89/89/1070128989.db2.gz HDEVSMDOXFPFDK-KBPBESRZSA-N 1 0 407.471 -0.134 20 0 HBADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC001169190555 1070129067 /nfs/dbraw/zinc/12/90/67/1070129067.db2.gz HDEVSMDOXFPFDK-KGLIPLIRSA-N 1 0 407.471 -0.134 20 0 HBADRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC001169190556 1070129037 /nfs/dbraw/zinc/12/90/37/1070129037.db2.gz HDEVSMDOXFPFDK-UONOGXRCSA-N 1 0 407.471 -0.134 20 0 HBADRO COC(=O)[C@H]1C[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC001169190557 1070128945 /nfs/dbraw/zinc/12/89/45/1070128945.db2.gz HDEVSMDOXFPFDK-ZIAGYGMSSA-N 1 0 407.471 -0.134 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCCO)CC1 ZINC001169191081 1070129049 /nfs/dbraw/zinc/12/90/49/1070129049.db2.gz KSJABLAVLHZCLT-INIZCTEOSA-N 1 0 406.531 -0.008 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCCO)CC1 ZINC001169191082 1070129017 /nfs/dbraw/zinc/12/90/17/1070129017.db2.gz KSJABLAVLHZCLT-MRXNPFEDSA-N 1 0 406.531 -0.008 20 0 HBADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169194197 1070130012 /nfs/dbraw/zinc/13/00/12/1070130012.db2.gz WOHVQYRFKHNUNG-OLZOCXBDSA-N 1 0 422.486 -0.740 20 0 HBADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169194198 1070129832 /nfs/dbraw/zinc/12/98/32/1070129832.db2.gz WOHVQYRFKHNUNG-STQMWFEESA-N 1 0 422.486 -0.740 20 0 HBADRO COC(=O)CC[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169194217 1070129967 /nfs/dbraw/zinc/12/99/67/1070129967.db2.gz WWHZRKHAOQLQFG-OLZOCXBDSA-N 1 0 422.486 -0.611 20 0 HBADRO COC(=O)CC[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169194218 1070129906 /nfs/dbraw/zinc/12/99/06/1070129906.db2.gz WWHZRKHAOQLQFG-STQMWFEESA-N 1 0 422.486 -0.611 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001169196812 1070129887 /nfs/dbraw/zinc/12/98/87/1070129887.db2.gz QBLQOKKLYVAZEJ-HNNXBMFYSA-N 1 0 420.514 -0.217 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001169196813 1070130035 /nfs/dbraw/zinc/13/00/35/1070130035.db2.gz QBLQOKKLYVAZEJ-OAHLLOKOSA-N 1 0 420.514 -0.217 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001169197648 1070129840 /nfs/dbraw/zinc/12/98/40/1070129840.db2.gz WTRYGSXVWAFLEK-JSGCOSHPSA-N 1 0 416.486 -0.583 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001169197649 1070129930 /nfs/dbraw/zinc/12/99/30/1070129930.db2.gz WTRYGSXVWAFLEK-OCCSQVGLSA-N 1 0 416.486 -0.583 20 0 HBADRO COC(=O)CN1CC[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169200642 1070129978 /nfs/dbraw/zinc/12/99/78/1070129978.db2.gz AOYFMMYKIUSXLU-HNNXBMFYSA-N 1 0 420.514 -0.217 20 0 HBADRO COC(=O)CN1CC[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169200643 1070129915 /nfs/dbraw/zinc/12/99/15/1070129915.db2.gz AOYFMMYKIUSXLU-OAHLLOKOSA-N 1 0 420.514 -0.217 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001169206411 1070131969 /nfs/dbraw/zinc/13/19/69/1070131969.db2.gz IJTQARUOFPXBRJ-AWEZNQCLSA-N 1 0 417.514 -0.892 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001169206417 1070132102 /nfs/dbraw/zinc/13/21/02/1070132102.db2.gz IJTQARUOFPXBRJ-CQSZACIVSA-N 1 0 417.514 -0.892 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001169206961 1070132070 /nfs/dbraw/zinc/13/20/70/1070132070.db2.gz IQZYPTCPSMKHSD-CABCVRRESA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001169206965 1070132156 /nfs/dbraw/zinc/13/21/56/1070132156.db2.gz IQZYPTCPSMKHSD-GJZGRUSLSA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001169206969 1070132029 /nfs/dbraw/zinc/13/20/29/1070132029.db2.gz IQZYPTCPSMKHSD-HUUCEWRRSA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001169206970 1070131988 /nfs/dbraw/zinc/13/19/88/1070131988.db2.gz IQZYPTCPSMKHSD-LSDHHAIUSA-N 1 0 418.498 -0.465 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C1C[NH2+]C1)S(C)(=O)=O ZINC001169208310 1070132061 /nfs/dbraw/zinc/13/20/61/1070132061.db2.gz NVIMXGPFCSUQQI-GFCCVEGCSA-N 1 0 412.516 -0.774 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C1C[NH2+]C1)S(C)(=O)=O ZINC001169208311 1070131948 /nfs/dbraw/zinc/13/19/48/1070131948.db2.gz NVIMXGPFCSUQQI-LBPRGKRZSA-N 1 0 412.516 -0.774 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(N)=O)CC1 ZINC001169208948 1070132176 /nfs/dbraw/zinc/13/21/76/1070132176.db2.gz SJQJNVHRGHZDBK-AWEZNQCLSA-N 1 0 405.503 -0.905 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(N)=O)CC1 ZINC001169209174 1070132733 /nfs/dbraw/zinc/13/27/33/1070132733.db2.gz SJQJNVHRGHZDBK-CQSZACIVSA-N 1 0 405.503 -0.905 20 0 HBADRO CNC(=O)N1CC[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169211553 1070132847 /nfs/dbraw/zinc/13/28/47/1070132847.db2.gz GQRPUKGTJSXOEJ-AWEZNQCLSA-N 1 0 405.503 -0.051 20 0 HBADRO CNC(=O)N1CC[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169211554 1070132784 /nfs/dbraw/zinc/13/27/84/1070132784.db2.gz GQRPUKGTJSXOEJ-CQSZACIVSA-N 1 0 405.503 -0.051 20 0 HBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001169212179 1070132865 /nfs/dbraw/zinc/13/28/65/1070132865.db2.gz KUUQJXHEBQFIHL-INIZCTEOSA-N 1 0 417.558 -0.076 20 0 HBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001169212186 1070132618 /nfs/dbraw/zinc/13/26/18/1070132618.db2.gz KUUQJXHEBQFIHL-MRXNPFEDSA-N 1 0 417.558 -0.076 20 0 HBADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC001169213063 1070132838 /nfs/dbraw/zinc/13/28/38/1070132838.db2.gz OFIWSSHRKUARLD-CABCVRRESA-N 1 0 420.514 -0.219 20 0 HBADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC001169213064 1070132816 /nfs/dbraw/zinc/13/28/16/1070132816.db2.gz OFIWSSHRKUARLD-GJZGRUSLSA-N 1 0 420.514 -0.219 20 0 HBADRO COC(=O)[C@H]1C[N@@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC001169213065 1070132690 /nfs/dbraw/zinc/13/26/90/1070132690.db2.gz OFIWSSHRKUARLD-HUUCEWRRSA-N 1 0 420.514 -0.219 20 0 HBADRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC001169213066 1070132767 /nfs/dbraw/zinc/13/27/67/1070132767.db2.gz OFIWSSHRKUARLD-LSDHHAIUSA-N 1 0 420.514 -0.219 20 0 HBADRO COC(=O)C1(O)CC[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169213958 1070132831 /nfs/dbraw/zinc/13/28/31/1070132831.db2.gz VKXXTEHXMYEHMQ-AWEZNQCLSA-N 1 0 421.498 -0.008 20 0 HBADRO COC(=O)C1(O)CC[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169213959 1070132608 /nfs/dbraw/zinc/13/26/08/1070132608.db2.gz VKXXTEHXMYEHMQ-CQSZACIVSA-N 1 0 421.498 -0.008 20 0 HBADRO CC[NH+]1CCC(N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1 ZINC001169229621 1070133700 /nfs/dbraw/zinc/13/37/00/1070133700.db2.gz FSGNGGNRMKXLNL-NPNMTCQASA-N 1 0 405.503 -0.415 20 0 HBADRO CC[NH+]1CCC(N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001169244440 1070134522 /nfs/dbraw/zinc/13/45/22/1070134522.db2.gz OMPNJONRSMEDIV-KSSFIOAISA-N 1 0 419.526 -0.517 20 0 HBADRO COc1cccc(C[C@H]2CN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC[NH2+]2)c1 ZINC001169249378 1070134470 /nfs/dbraw/zinc/13/44/70/1070134470.db2.gz AGLOJWGMBYZKLL-HNNXBMFYSA-N 1 0 407.496 -0.028 20 0 HBADRO COc1cccc(C[C@@H]2CN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC[NH2+]2)c1 ZINC001169249379 1070134667 /nfs/dbraw/zinc/13/46/67/1070134667.db2.gz AGLOJWGMBYZKLL-OAHLLOKOSA-N 1 0 407.496 -0.028 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001169274066 1070134447 /nfs/dbraw/zinc/13/44/47/1070134447.db2.gz WOYJXBFRFHGSJN-CABCVRRESA-N 1 0 413.478 -0.136 20 0 HBADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001169274067 1070134646 /nfs/dbraw/zinc/13/46/46/1070134646.db2.gz WOYJXBFRFHGSJN-GJZGRUSLSA-N 1 0 413.478 -0.136 20 0 HBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001169274068 1070134595 /nfs/dbraw/zinc/13/45/95/1070134595.db2.gz WOYJXBFRFHGSJN-HUUCEWRRSA-N 1 0 413.478 -0.136 20 0 HBADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001169274069 1070135229 /nfs/dbraw/zinc/13/52/29/1070135229.db2.gz WOYJXBFRFHGSJN-LSDHHAIUSA-N 1 0 413.478 -0.136 20 0 HBADRO COC(=O)c1cc(N[C@H](CO)C(N)=O)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001169326608 1070136088 /nfs/dbraw/zinc/13/60/88/1070136088.db2.gz JFLHWTJKMRNTMQ-CYBMUJFWSA-N 1 0 417.426 -0.882 20 0 HBADRO COC(=O)c1cc(N[C@@H](CO)C(N)=O)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001169326613 1070136305 /nfs/dbraw/zinc/13/63/05/1070136305.db2.gz JFLHWTJKMRNTMQ-ZDUSSCGKSA-N 1 0 417.426 -0.882 20 0 HBADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(N[C@H](CO)C(N)=O)n1 ZINC001169328021 1070136257 /nfs/dbraw/zinc/13/62/57/1070136257.db2.gz PHURNQLJUSSIHO-COPLHBTASA-N 1 0 407.471 -0.200 20 0 HBADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(N[C@@H](CO)C(N)=O)n1 ZINC001169328024 1070136077 /nfs/dbraw/zinc/13/60/77/1070136077.db2.gz PHURNQLJUSSIHO-MJVIPROJSA-N 1 0 407.471 -0.200 20 0 HBADRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCCN1CCN(S(C)(=O)=O)CC1 ZINC001169334881 1070136279 /nfs/dbraw/zinc/13/62/79/1070136279.db2.gz AKLDMGAAWWXWRJ-UHFFFAOYSA-N 1 0 411.576 -0.051 20 0 HBADRO CS(=O)(=O)N1CCN(CCNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC1 ZINC001169337503 1070136885 /nfs/dbraw/zinc/13/68/85/1070136885.db2.gz DVLQHJIXCCRKLL-KRWDZBQOSA-N 1 0 407.540 -0.174 20 0 HBADRO CS(=O)(=O)N1CCN(CCNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC1 ZINC001169337504 1070136860 /nfs/dbraw/zinc/13/68/60/1070136860.db2.gz DVLQHJIXCCRKLL-QGZVFWFLSA-N 1 0 407.540 -0.174 20 0 HBADRO C[NH+](C)CCCNC(=O)c1cccnc1NCCN1CCN(S(C)(=O)=O)CC1 ZINC001169342726 1070136900 /nfs/dbraw/zinc/13/69/00/1070136900.db2.gz NJHHXPAXDWVCNL-UHFFFAOYSA-N 1 0 412.560 -0.248 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CO1 ZINC001169347827 1070135303 /nfs/dbraw/zinc/13/53/03/1070135303.db2.gz COTKGKGLUIUNOK-JZRPKSSGSA-N 1 0 422.442 -0.935 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CO1 ZINC001169347832 1070135415 /nfs/dbraw/zinc/13/54/15/1070135415.db2.gz COTKGKGLUIUNOK-KIJLLGNVSA-N 1 0 422.442 -0.935 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CO1 ZINC001169347835 1070136227 /nfs/dbraw/zinc/13/62/27/1070136227.db2.gz COTKGKGLUIUNOK-KSSYENDESA-N 1 0 422.442 -0.935 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CO1 ZINC001169347837 1070136233 /nfs/dbraw/zinc/13/62/33/1070136233.db2.gz COTKGKGLUIUNOK-NZEXEKPDSA-N 1 0 422.442 -0.935 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC)CO1 ZINC001169364964 1070137846 /nfs/dbraw/zinc/13/78/46/1070137846.db2.gz FYYZANLJBIDHRG-HRCADAONSA-N 1 0 415.487 -0.349 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC)CO1 ZINC001169364966 1070138021 /nfs/dbraw/zinc/13/80/21/1070138021.db2.gz FYYZANLJBIDHRG-JYJNAYRXSA-N 1 0 415.487 -0.349 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC)CO1 ZINC001169364968 1070138080 /nfs/dbraw/zinc/13/80/80/1070138080.db2.gz FYYZANLJBIDHRG-OWCLPIDISA-N 1 0 415.487 -0.349 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](NC(=O)CNC(C)=O)C(=O)OC)CO1 ZINC001169364970 1070137977 /nfs/dbraw/zinc/13/79/77/1070137977.db2.gz FYYZANLJBIDHRG-PMPSAXMXSA-N 1 0 415.487 -0.349 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169368020 1070137793 /nfs/dbraw/zinc/13/77/93/1070137793.db2.gz RBWIABGEXNVKTB-LTIDMASMSA-N 1 0 407.467 -0.740 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169368021 1070138005 /nfs/dbraw/zinc/13/80/05/1070138005.db2.gz RBWIABGEXNVKTB-LUKYLMHMSA-N 1 0 407.467 -0.740 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169368023 1070137916 /nfs/dbraw/zinc/13/79/16/1070137916.db2.gz RBWIABGEXNVKTB-QAETUUGQSA-N 1 0 407.467 -0.740 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169368024 1070137894 /nfs/dbraw/zinc/13/78/94/1070137894.db2.gz RBWIABGEXNVKTB-QZWWFDLISA-N 1 0 407.467 -0.740 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CO1 ZINC001169377822 1070137867 /nfs/dbraw/zinc/13/78/67/1070137867.db2.gz VYTOCVKIFRAPJU-HTVCTNPSSA-N 1 0 401.460 -0.742 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CO1 ZINC001169377826 1070137771 /nfs/dbraw/zinc/13/77/71/1070137771.db2.gz VYTOCVKIFRAPJU-PEDHHIEDSA-N 1 0 401.460 -0.742 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CO1 ZINC001169377829 1070138089 /nfs/dbraw/zinc/13/80/89/1070138089.db2.gz VYTOCVKIFRAPJU-QSLWVIQJSA-N 1 0 401.460 -0.742 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CO1 ZINC001169377832 1070137750 /nfs/dbraw/zinc/13/77/50/1070137750.db2.gz VYTOCVKIFRAPJU-YHQUGGNUSA-N 1 0 401.460 -0.742 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001169378466 1070138057 /nfs/dbraw/zinc/13/80/57/1070138057.db2.gz YTDHIRSZDLCINI-OEAJRASXSA-N 1 0 407.471 -0.488 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001169378467 1070137951 /nfs/dbraw/zinc/13/79/51/1070137951.db2.gz YTDHIRSZDLCINI-QCEMKRCNSA-N 1 0 407.471 -0.488 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001169378468 1070138042 /nfs/dbraw/zinc/13/80/42/1070138042.db2.gz YTDHIRSZDLCINI-SYAUCNOPSA-N 1 0 407.471 -0.488 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001169378469 1070137728 /nfs/dbraw/zinc/13/77/28/1070137728.db2.gz YTDHIRSZDLCINI-TUUVXOQKSA-N 1 0 407.471 -0.488 20 0 HBADRO CCOC(=O)[C@H]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CO1 ZINC001169396707 1070138901 /nfs/dbraw/zinc/13/89/01/1070138901.db2.gz LNFJTTDAXBOEGQ-DZGCQCFKSA-N 1 0 400.501 -0.099 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CO1 ZINC001169396708 1070138584 /nfs/dbraw/zinc/13/85/84/1070138584.db2.gz LNFJTTDAXBOEGQ-HIFRSBDPSA-N 1 0 400.501 -0.099 20 0 HBADRO CCOC(=O)[C@H]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CO1 ZINC001169396709 1070138766 /nfs/dbraw/zinc/13/87/66/1070138766.db2.gz LNFJTTDAXBOEGQ-UKRRQHHQSA-N 1 0 400.501 -0.099 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CO1 ZINC001169396710 1070138689 /nfs/dbraw/zinc/13/86/89/1070138689.db2.gz LNFJTTDAXBOEGQ-ZFWWWQNUSA-N 1 0 400.501 -0.099 20 0 HBADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001169438699 1070141435 /nfs/dbraw/zinc/14/14/35/1070141435.db2.gz WLNZQILVHSAEPV-OWDTUVHZSA-N 1 0 407.475 -0.736 20 0 HBADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001169438704 1070141293 /nfs/dbraw/zinc/14/12/93/1070141293.db2.gz WLNZQILVHSAEPV-PBRPVXPMSA-N 1 0 407.475 -0.736 20 0 HBADRO CCN(CC)C(=O)C[C@H](C)n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001169452242 1070141321 /nfs/dbraw/zinc/14/13/21/1070141321.db2.gz LZPDUIPFKUQPFD-CIQGVGRVSA-N 1 0 407.475 -0.398 20 0 HBADRO CCN(CC)C(=O)C[C@@H](C)n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001169452243 1070141556 /nfs/dbraw/zinc/14/15/56/1070141556.db2.gz LZPDUIPFKUQPFD-GFQSEFKGSA-N 1 0 407.475 -0.398 20 0 HBADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001169456930 1070141521 /nfs/dbraw/zinc/14/15/21/1070141521.db2.gz NCEHQPCTLLVDNQ-COXVUDFISA-N 1 0 408.499 -0.498 20 0 HBADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001169456931 1070141371 /nfs/dbraw/zinc/14/13/71/1070141371.db2.gz NCEHQPCTLLVDNQ-JQFCIGGWSA-N 1 0 408.499 -0.498 20 0 HBADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001169457556 1070142306 /nfs/dbraw/zinc/14/23/06/1070142306.db2.gz RXFGFNYGYVRUOC-CSHUHZATSA-N 1 0 422.526 -0.109 20 0 HBADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001169457557 1070142102 /nfs/dbraw/zinc/14/21/02/1070142102.db2.gz RXFGFNYGYVRUOC-GNSPCKGOSA-N 1 0 422.526 -0.109 20 0 HBADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001169460359 1070142215 /nfs/dbraw/zinc/14/22/15/1070142215.db2.gz WGISZMOIFGARKE-OWDTUVHZSA-N 1 0 407.475 -0.736 20 0 HBADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001169460360 1070142357 /nfs/dbraw/zinc/14/23/57/1070142357.db2.gz WGISZMOIFGARKE-PBRPVXPMSA-N 1 0 407.475 -0.736 20 0 HBADRO CCOC(=O)C1(Nc2ncc(C(=O)OC)cc2S(N)(=O)=O)CC[NH+](C)CC1 ZINC001169491717 1070143189 /nfs/dbraw/zinc/14/31/89/1070143189.db2.gz KMOLSNUWTOPTTH-UHFFFAOYSA-N 1 0 400.457 -0.045 20 0 HBADRO COCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001169525365 1070143347 /nfs/dbraw/zinc/14/33/47/1070143347.db2.gz CCAVAKWNRJROQC-IBGZPJMESA-N 1 0 406.520 -0.074 20 0 HBADRO COCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001169525367 1070143226 /nfs/dbraw/zinc/14/32/26/1070143226.db2.gz CCAVAKWNRJROQC-LJQANCHMSA-N 1 0 406.520 -0.074 20 0 HBADRO CC(=O)N1CC[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)C1 ZINC001169548807 1070143370 /nfs/dbraw/zinc/14/33/70/1070143370.db2.gz INVBSJXEVBZKLR-APWZRJJASA-N 1 0 412.556 -0.187 20 0 HBADRO CC(=O)N1CC[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)C1 ZINC001169548808 1070143165 /nfs/dbraw/zinc/14/31/65/1070143165.db2.gz INVBSJXEVBZKLR-LPHOPBHVSA-N 1 0 412.556 -0.187 20 0 HBADRO CC(=O)N1CC[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)C1 ZINC001169548809 1070143331 /nfs/dbraw/zinc/14/33/31/1070143331.db2.gz INVBSJXEVBZKLR-QFBILLFUSA-N 1 0 412.556 -0.187 20 0 HBADRO CC(=O)N1CC[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)C1 ZINC001169548810 1070143340 /nfs/dbraw/zinc/14/33/40/1070143340.db2.gz INVBSJXEVBZKLR-VQIMIIECSA-N 1 0 412.556 -0.187 20 0 HBADRO CC(=O)N1CC[C@@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001169551477 1070144182 /nfs/dbraw/zinc/14/41/82/1070144182.db2.gz YCHYBNDKVIYHNV-IXDOHACOSA-N 1 0 405.524 -0.029 20 0 HBADRO CC(=O)N1CC[C@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001169551478 1070144072 /nfs/dbraw/zinc/14/40/72/1070144072.db2.gz YCHYBNDKVIYHNV-YESZJQIVSA-N 1 0 405.524 -0.029 20 0 HBADRO CC(=O)N1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001169583883 1070145133 /nfs/dbraw/zinc/14/51/33/1070145133.db2.gz GMYGSQKURLOPFL-IBGZPJMESA-N 1 0 406.520 -0.338 20 0 HBADRO CC(=O)N1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001169583885 1070145052 /nfs/dbraw/zinc/14/50/52/1070145052.db2.gz GMYGSQKURLOPFL-LJQANCHMSA-N 1 0 406.520 -0.338 20 0 HBADRO CC(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001169586228 1070145828 /nfs/dbraw/zinc/14/58/28/1070145828.db2.gz VLUMZHNFWQXJEK-AOVUVUSJSA-N 1 0 419.486 -0.888 20 0 HBADRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001169586229 1070146053 /nfs/dbraw/zinc/14/60/53/1070146053.db2.gz VLUMZHNFWQXJEK-PBOZHIJLSA-N 1 0 419.486 -0.888 20 0 HBADRO CC(=O)N1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001169596744 1070144118 /nfs/dbraw/zinc/14/41/18/1070144118.db2.gz JNPMWQUMEPMKRL-VFAJRCTISA-N 1 0 406.483 -0.745 20 0 HBADRO CC(=O)N1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001169596745 1070143915 /nfs/dbraw/zinc/14/39/15/1070143915.db2.gz JNPMWQUMEPMKRL-ZYUBPSHWSA-N 1 0 406.483 -0.745 20 0 HBADRO CC(=O)N1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001169607129 1070145089 /nfs/dbraw/zinc/14/50/89/1070145089.db2.gz BDYPJRDFPAAYNB-BRSBDYLESA-N 1 0 413.540 -0.409 20 0 HBADRO CC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001169607130 1070145073 /nfs/dbraw/zinc/14/50/73/1070145073.db2.gz BDYPJRDFPAAYNB-BSDSXHPESA-N 1 0 413.540 -0.409 20 0 HBADRO CC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001169607131 1070145030 /nfs/dbraw/zinc/14/50/30/1070145030.db2.gz BDYPJRDFPAAYNB-WNRNVDISSA-N 1 0 413.540 -0.409 20 0 HBADRO CC(=O)N1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001169607132 1070145062 /nfs/dbraw/zinc/14/50/62/1070145062.db2.gz BDYPJRDFPAAYNB-XMTFNYHQSA-N 1 0 413.540 -0.409 20 0 HBADRO CC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169615480 1070145677 /nfs/dbraw/zinc/14/56/77/1070145677.db2.gz PJXBFFUCMGGCSO-BRWVUGGUSA-N 1 0 400.545 -0.189 20 0 HBADRO CC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169615482 1070146072 /nfs/dbraw/zinc/14/60/72/1070146072.db2.gz PJXBFFUCMGGCSO-IXDOHACOSA-N 1 0 400.545 -0.189 20 0 HBADRO CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001169661680 1070146817 /nfs/dbraw/zinc/14/68/17/1070146817.db2.gz LXQAISUIHFPQKA-CCECPURYSA-N 1 0 412.443 -0.831 20 0 HBADRO CCOC(=O)N1CCC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001169661681 1070146775 /nfs/dbraw/zinc/14/67/75/1070146775.db2.gz LXQAISUIHFPQKA-OVJXPFRRSA-N 1 0 412.443 -0.831 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1=O ZINC001169742204 1070148547 /nfs/dbraw/zinc/14/85/47/1070148547.db2.gz LNBBBONRPLAEJB-CVEARBPZSA-N 1 0 400.545 -0.882 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1=O ZINC001169742216 1070148605 /nfs/dbraw/zinc/14/86/05/1070148605.db2.gz LNBBBONRPLAEJB-HOTGVXAUSA-N 1 0 400.545 -0.882 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1=O ZINC001169742220 1070148591 /nfs/dbraw/zinc/14/85/91/1070148591.db2.gz LNBBBONRPLAEJB-HZPDHXFCSA-N 1 0 400.545 -0.882 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1=O ZINC001169742223 1070148624 /nfs/dbraw/zinc/14/86/24/1070148624.db2.gz LNBBBONRPLAEJB-JKSUJKDBSA-N 1 0 400.545 -0.882 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169744939 1070149291 /nfs/dbraw/zinc/14/92/91/1070149291.db2.gz KRQMGGCNRGKORI-INIZCTEOSA-N 1 0 404.467 -0.324 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169744940 1070149353 /nfs/dbraw/zinc/14/93/53/1070149353.db2.gz KRQMGGCNRGKORI-MRXNPFEDSA-N 1 0 404.467 -0.324 20 0 HBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758145 1070151892 /nfs/dbraw/zinc/15/18/92/1070151892.db2.gz VFTVELALYXOFIQ-IRXDYDNUSA-N 1 0 415.494 -0.527 20 0 HBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758146 1070151767 /nfs/dbraw/zinc/15/17/67/1070151767.db2.gz VFTVELALYXOFIQ-SJORKVTESA-N 1 0 415.494 -0.527 20 0 HBADRO COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC001169840021 1070153692 /nfs/dbraw/zinc/15/36/92/1070153692.db2.gz FIDTVCRWHDLNMK-AWEZNQCLSA-N 1 0 412.512 -0.040 20 0 HBADRO COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC001169840022 1070154445 /nfs/dbraw/zinc/15/44/45/1070154445.db2.gz FIDTVCRWHDLNMK-CQSZACIVSA-N 1 0 412.512 -0.040 20 0 HBADRO Cc1cn([C@H]2C[C@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169867788 1070155411 /nfs/dbraw/zinc/15/54/11/1070155411.db2.gz JXQPYADAFYUSFR-MMCPYJTDSA-N 1 0 401.485 -0.149 20 0 HBADRO CS(=O)(=O)C1CCC([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001169870547 1070155401 /nfs/dbraw/zinc/15/54/01/1070155401.db2.gz LOOCHOGVIUFXQS-GQGLESIBSA-N 1 0 411.524 -0.495 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+]C1CCC(S(C)(=O)=O)CC1)NC(=O)CNC(C)=O ZINC001169870965 1070155376 /nfs/dbraw/zinc/15/53/76/1070155376.db2.gz PCNQXPVBDAHFMC-GPANFISMSA-N 1 0 419.544 -0.104 20 0 HBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169872991 1070156194 /nfs/dbraw/zinc/15/61/94/1070156194.db2.gz JZOMYGNUOVNXNN-RXIZQEFBSA-N 1 0 405.517 -0.497 20 0 HBADRO COc1ccc(S(=O)(=O)NCCC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC001169912307 1070156296 /nfs/dbraw/zinc/15/62/96/1070156296.db2.gz OGKNCNLMDBYBJR-ZDUSSCGKSA-N 1 0 401.485 -0.445 20 0 HBADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001169912989 1070156355 /nfs/dbraw/zinc/15/63/55/1070156355.db2.gz QQCIZJMEVXBJQQ-LZWOXQAQSA-N 1 0 401.460 -0.868 20 0 HBADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001169914029 1070156239 /nfs/dbraw/zinc/15/62/39/1070156239.db2.gz XKWBXGFTQKHILN-ZDUSSCGKSA-N 1 0 401.460 -0.357 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCCC2(C1)OCCO2 ZINC001169923206 1070158462 /nfs/dbraw/zinc/15/84/62/1070158462.db2.gz GNPFAJBKORNUOG-WUHRBBMRSA-N 1 0 406.443 -0.360 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCCC2(C1)OCCO2 ZINC001169923207 1070158563 /nfs/dbraw/zinc/15/85/63/1070158563.db2.gz GNPFAJBKORNUOG-YVECIDJPSA-N 1 0 406.443 -0.360 20 0 HBADRO CS(=O)(=O)NC[C@H]1COCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001169932663 1070157848 /nfs/dbraw/zinc/15/78/48/1070157848.db2.gz YLZUYDOHJYPEMO-INIZCTEOSA-N 1 0 411.528 -0.630 20 0 HBADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001169932665 1070157969 /nfs/dbraw/zinc/15/79/69/1070157969.db2.gz YLZUYDOHJYPEMO-MRXNPFEDSA-N 1 0 411.528 -0.630 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169934353 1070157681 /nfs/dbraw/zinc/15/76/81/1070157681.db2.gz BQRDVPRPJZGCIS-KCMWZYNZSA-N 1 0 421.494 -0.071 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169934355 1070157938 /nfs/dbraw/zinc/15/79/38/1070157938.db2.gz BQRDVPRPJZGCIS-WCZJQEMASA-N 1 0 421.494 -0.071 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169934954 1070157647 /nfs/dbraw/zinc/15/76/47/1070157647.db2.gz GOISTPQYQABWMK-PVAVHDDUSA-N 1 0 407.467 -0.459 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169934962 1070157895 /nfs/dbraw/zinc/15/78/95/1070157895.db2.gz GOISTPQYQABWMK-XIRDDKMYSA-N 1 0 407.467 -0.459 20 0 HBADRO OC[C@H]1O[C@@H](O)[C@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H](O)[C@@H]1O ZINC001169970922 1070189635 /nfs/dbraw/zinc/18/96/35/1070189635.db2.gz XWPACDJKWQBNAQ-DRJBRKBZSA-N 1 0 401.463 -0.148 20 0 HBADRO OC[C@H]1O[C@H](O)[C@H](Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H](O)[C@@H]1O ZINC001169970923 1070189764 /nfs/dbraw/zinc/18/97/64/1070189764.db2.gz XWPACDJKWQBNAQ-FKAKKMJLSA-N 1 0 401.463 -0.148 20 0 HBADRO CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c(F)c2)CC1 ZINC001169976153 1070196285 /nfs/dbraw/zinc/19/62/85/1070196285.db2.gz FMRPPSDUQKFBAT-LASHMREHSA-N 1 0 413.490 -0.437 20 0 HBADRO CC(C)[NH+]1CCN(Cc2ccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c(F)c2)CC1 ZINC001169976154 1070196345 /nfs/dbraw/zinc/19/63/45/1070196345.db2.gz FMRPPSDUQKFBAT-WAPOTWQKSA-N 1 0 413.490 -0.437 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(N)nc1)c(N)nc2=O ZINC001169980874 1070203677 /nfs/dbraw/zinc/20/36/77/1070203677.db2.gz BHOXURKEZRZKEW-ZDUSSCGKSA-N 1 0 416.442 -0.358 20 0 HBADRO Cc1nccnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980877 1070203720 /nfs/dbraw/zinc/20/37/20/1070203720.db2.gz BNDOVIGCBVKHCB-LBPRGKRZSA-N 1 0 416.442 -0.237 20 0 HBADRO Cc1nccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169980906 1070203487 /nfs/dbraw/zinc/20/34/87/1070203487.db2.gz CVXNEJUGVSNCLY-ZDUSSCGKSA-N 1 0 416.442 -0.237 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccn(C)n1)c(N)nc2=O ZINC001169980940 1070203402 /nfs/dbraw/zinc/20/34/02/1070203402.db2.gz FKZFIDFIBQUHNX-LBPRGKRZSA-N 1 0 404.431 -0.602 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cncc(N)c1)c(N)nc2=O ZINC001169981348 1070204098 /nfs/dbraw/zinc/20/40/98/1070204098.db2.gz FYEWGQZQAAWLFB-ZDUSSCGKSA-N 1 0 416.442 -0.358 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc[n+]1[O-])c(N)nc2=O ZINC001169981449 1070204154 /nfs/dbraw/zinc/20/41/54/1070204154.db2.gz KADXIMLSJFVGSM-ZDUSSCGKSA-N 1 0 417.426 -0.702 20 0 HBADRO Cc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nn1 ZINC001169982259 1070204413 /nfs/dbraw/zinc/20/44/13/1070204413.db2.gz MGUSJAWFLBUZFJ-ZDUSSCGKSA-N 1 0 416.442 -0.237 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc[n+]([O-])c1)c(N)nc2=O ZINC001169982268 1070204315 /nfs/dbraw/zinc/20/43/15/1070204315.db2.gz MPQHOJMECCPGMO-ZDUSSCGKSA-N 1 0 417.426 -0.702 20 0 HBADRO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)ncn1 ZINC001169982374 1070204901 /nfs/dbraw/zinc/20/49/01/1070204901.db2.gz OOGCYTRYACYIBT-ZDUSSCGKSA-N 1 0 416.442 -0.237 20 0 HBADRO Cc1ccnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169982379 1070204775 /nfs/dbraw/zinc/20/47/75/1070204775.db2.gz OWJUEIHIYKNJAQ-LBPRGKRZSA-N 1 0 416.442 -0.237 20 0 HBADRO Cc1cncnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169982888 1070204477 /nfs/dbraw/zinc/20/44/77/1070204477.db2.gz PTCDHPBBCZQQHQ-LBPRGKRZSA-N 1 0 416.442 -0.237 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cncn1C)c(N)nc2=O ZINC001169983006 1070204434 /nfs/dbraw/zinc/20/44/34/1070204434.db2.gz SOTQNULBOSXELK-LBPRGKRZSA-N 1 0 404.431 -0.602 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cncnc1)c(N)nc2=O ZINC001169983315 1070204385 /nfs/dbraw/zinc/20/43/85/1070204385.db2.gz WCWDUUNATTWHRD-LBPRGKRZSA-N 1 0 402.415 -0.545 20 0 HBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cn(C)cn1)c(N)nc2=O ZINC001169983321 1070204181 /nfs/dbraw/zinc/20/41/81/1070204181.db2.gz WPKSOLDRQNCWPI-LBPRGKRZSA-N 1 0 404.431 -0.602 20 0 HBADRO Cc1cnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169983373 1070204822 /nfs/dbraw/zinc/20/48/22/1070204822.db2.gz ZMSVATKJRJOANZ-LBPRGKRZSA-N 1 0 416.442 -0.237 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170019948 1070260928 /nfs/dbraw/zinc/26/09/28/1070260928.db2.gz LXOZKZDVFPVBCA-NEPJUHHUSA-N 1 0 408.546 -0.225 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170019949 1070260850 /nfs/dbraw/zinc/26/08/50/1070260850.db2.gz LXOZKZDVFPVBCA-RYUDHWBXSA-N 1 0 408.546 -0.225 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C(CO)(CO)CO)C[C@H]1C(=O)N1CCSC1 ZINC001170023412 1070265155 /nfs/dbraw/zinc/26/51/55/1070265155.db2.gz WZIHNZJIEJWHPZ-OLZOCXBDSA-N 1 0 405.517 -0.797 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C(CO)(CO)CO)C[C@H]1C(=O)N1CCSC1 ZINC001170023413 1070265028 /nfs/dbraw/zinc/26/50/28/1070265028.db2.gz WZIHNZJIEJWHPZ-STQMWFEESA-N 1 0 405.517 -0.797 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170034658 1070282513 /nfs/dbraw/zinc/28/25/13/1070282513.db2.gz KIBQXVKJAQSSFZ-SRVKXCTJSA-N 1 0 415.516 -0.784 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170034659 1070282664 /nfs/dbraw/zinc/28/26/64/1070282664.db2.gz KIBQXVKJAQSSFZ-WOPDTQHZSA-N 1 0 415.516 -0.784 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC(=O)NCC(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170036299 1070286704 /nfs/dbraw/zinc/28/67/04/1070286704.db2.gz VSQJJCVCQHMMCF-NEPJUHHUSA-N 1 0 415.516 -0.912 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(=O)NCC(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170036301 1070286573 /nfs/dbraw/zinc/28/65/73/1070286573.db2.gz VSQJJCVCQHMMCF-RYUDHWBXSA-N 1 0 415.516 -0.912 20 0 HBADRO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCO1 ZINC001170205218 1070512152 /nfs/dbraw/zinc/51/21/52/1070512152.db2.gz WQPBFXMDVXWMPX-DHXZDTOLSA-N 1 0 420.510 -0.043 20 0 HBADRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCO1 ZINC001170205219 1070512225 /nfs/dbraw/zinc/51/22/25/1070512225.db2.gz WQPBFXMDVXWMPX-IKICRFKJSA-N 1 0 420.510 -0.043 20 0 HBADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCO1 ZINC001170205220 1070512659 /nfs/dbraw/zinc/51/26/59/1070512659.db2.gz WQPBFXMDVXWMPX-NZPGVSJUSA-N 1 0 420.510 -0.043 20 0 HBADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCO1 ZINC001170205221 1070512770 /nfs/dbraw/zinc/51/27/70/1070512770.db2.gz WQPBFXMDVXWMPX-PLYYQAHHSA-N 1 0 420.510 -0.043 20 0 HBADRO COC(=O)CNS(=O)(=O)c1ccc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])nc1 ZINC001170277954 1070513430 /nfs/dbraw/zinc/51/34/30/1070513430.db2.gz NGAGNRINDKRXQU-IOASZLSFSA-N 1 0 402.473 -0.330 20 0 HBADRO COC(=O)CNS(=O)(=O)c1ccc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])nc1 ZINC001170277955 1070513333 /nfs/dbraw/zinc/51/33/33/1070513333.db2.gz NGAGNRINDKRXQU-XJKCOSOUSA-N 1 0 402.473 -0.330 20 0 HBADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001170418849 1070517406 /nfs/dbraw/zinc/51/74/06/1070517406.db2.gz BULMZYMZUBXJFK-AQCJLOBTSA-N 1 0 419.434 -0.092 20 0 HBADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001170418850 1070517362 /nfs/dbraw/zinc/51/73/62/1070517362.db2.gz BULMZYMZUBXJFK-FMAJMWNWSA-N 1 0 419.434 -0.092 20 0 HBADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001170428405 1070523740 /nfs/dbraw/zinc/52/37/40/1070523740.db2.gz ICYPKTATHJPYDD-CABCVRRESA-N 1 0 404.467 -0.082 20 0 HBADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001170428406 1070523648 /nfs/dbraw/zinc/52/36/48/1070523648.db2.gz ICYPKTATHJPYDD-GJZGRUSLSA-N 1 0 404.467 -0.082 20 0 HBADRO [NH3+]CCOCCOCCNc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001170513292 1070668766 /nfs/dbraw/zinc/66/87/66/1070668766.db2.gz GZGCJVKNIHRTBK-UHFFFAOYSA-N 1 0 402.452 -0.174 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001170515586 1070678471 /nfs/dbraw/zinc/67/84/71/1070678471.db2.gz ADXGNPSXLIXJCL-NVZKKKRGSA-N 1 0 420.470 -0.557 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001170515587 1070675300 /nfs/dbraw/zinc/67/53/00/1070675300.db2.gz ADXGNPSXLIXJCL-RJQJLZBDSA-N 1 0 420.470 -0.557 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001170519025 1070682990 /nfs/dbraw/zinc/68/29/90/1070682990.db2.gz ZJMINNHZCYZHGE-MSOLQXFVSA-N 1 0 407.504 -0.007 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001170519026 1070683083 /nfs/dbraw/zinc/68/30/83/1070683083.db2.gz ZJMINNHZCYZHGE-QZTJIDSGSA-N 1 0 407.504 -0.007 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001170538514 1070715237 /nfs/dbraw/zinc/71/52/37/1070715237.db2.gz JIBISHKJXHCGGZ-IMNPFHOJSA-N 1 0 407.467 -0.415 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001170538517 1070715057 /nfs/dbraw/zinc/71/50/57/1070715057.db2.gz JIBISHKJXHCGGZ-RGTXSCMUSA-N 1 0 407.467 -0.415 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)c[nH]1 ZINC001170546109 1070725415 /nfs/dbraw/zinc/72/54/15/1070725415.db2.gz FANHOFITFUPKAX-AWEZNQCLSA-N 1 0 405.480 -0.565 20 0 HBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)c[nH]1 ZINC001170546110 1070725383 /nfs/dbraw/zinc/72/53/83/1070725383.db2.gz FANHOFITFUPKAX-CQSZACIVSA-N 1 0 405.480 -0.565 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001170550353 1070730379 /nfs/dbraw/zinc/73/03/79/1070730379.db2.gz GKZPQMBLVKMRIX-DRRXZNNHSA-N 1 0 414.524 -0.078 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001170550356 1070730545 /nfs/dbraw/zinc/73/05/45/1070730545.db2.gz GKZPQMBLVKMRIX-NQNKBUKLSA-N 1 0 414.524 -0.078 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001170550358 1070730654 /nfs/dbraw/zinc/73/06/54/1070730654.db2.gz GKZPQMBLVKMRIX-WRQOLXDDSA-N 1 0 414.524 -0.078 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001170550359 1070730424 /nfs/dbraw/zinc/73/04/24/1070730424.db2.gz GKZPQMBLVKMRIX-ZHCJQAHYSA-N 1 0 414.524 -0.078 20 0 HBADRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001170555384 1070732082 /nfs/dbraw/zinc/73/20/82/1070732082.db2.gz ZYBIDQYNLGSIST-UGUYLWEFSA-N 1 0 410.515 -0.075 20 0 HBADRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001170555391 1070731985 /nfs/dbraw/zinc/73/19/85/1070731985.db2.gz ZYBIDQYNLGSIST-WCVJEAGWSA-N 1 0 410.515 -0.075 20 0 HBADRO COC(=O)CCN1CC[C@H]([N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)C1=O ZINC001170623712 1070796274 /nfs/dbraw/zinc/79/62/74/1070796274.db2.gz YOEBVTHBXQFFFB-INIZCTEOSA-N 1 0 412.512 -0.134 20 0 HBADRO COC(=O)CCN1CC[C@@H]([N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)C1=O ZINC001170623713 1070796405 /nfs/dbraw/zinc/79/64/05/1070796405.db2.gz YOEBVTHBXQFFFB-MRXNPFEDSA-N 1 0 412.512 -0.134 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170628103 1070804060 /nfs/dbraw/zinc/80/40/60/1070804060.db2.gz LBZANMPLIDLAFW-AVGNSLFASA-N 1 0 400.476 -0.103 20 0 HBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170628104 1070803912 /nfs/dbraw/zinc/80/39/12/1070803912.db2.gz LBZANMPLIDLAFW-XQQFMLRXSA-N 1 0 400.476 -0.103 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)c(=O)[nH]1 ZINC001170669451 1070825909 /nfs/dbraw/zinc/82/59/09/1070825909.db2.gz LOXNEEDVCXMMPL-NQTWQHAWSA-N 1 0 409.389 -0.007 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)c(=O)[nH]1 ZINC001170669458 1070825652 /nfs/dbraw/zinc/82/56/52/1070825652.db2.gz LOXNEEDVCXMMPL-UKLXLRDVSA-N 1 0 409.389 -0.007 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cncc(N2CCC([NH3+])CC2)n1)C(=O)[O-] ZINC001170686986 1070836258 /nfs/dbraw/zinc/83/62/58/1070836258.db2.gz FNBUWSIDIJZEMF-AWEZNQCLSA-N 1 0 402.459 -0.950 20 0 HBADRO CSc1nc(C2C[NH2+]C2)cc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001170687174 1070836064 /nfs/dbraw/zinc/83/60/64/1070836064.db2.gz HWGXZDOSYWDJCK-ZDUSSCGKSA-N 1 0 405.484 -0.468 20 0 HBADRO Cc1cc(OC2CC[NH2+]CC2)nc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001170687228 1070837259 /nfs/dbraw/zinc/83/72/59/1070837259.db2.gz JJKKQXZRLCVHSM-HNNXBMFYSA-N 1 0 417.470 -0.438 20 0 HBADRO Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001170687540 1070837054 /nfs/dbraw/zinc/83/70/54/1070837054.db2.gz NLNSNRDJWUAGJG-BBRMVZONSA-N 1 0 401.471 -0.102 20 0 HBADRO Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001170687542 1070836788 /nfs/dbraw/zinc/83/67/88/1070836788.db2.gz NLNSNRDJWUAGJG-CJNGLKHVSA-N 1 0 401.471 -0.102 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cncc(OCC[NH+]2CCCC2)n1)C(=O)[O-] ZINC001170687618 1070837230 /nfs/dbraw/zinc/83/72/30/1070837230.db2.gz OYGKCAASDJIYHM-HNNXBMFYSA-N 1 0 417.470 -0.402 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1nc(Cl)nc2c1CC[NH2+]CC2)C(=O)[O-] ZINC001170687620 1070837168 /nfs/dbraw/zinc/83/71/68/1070837168.db2.gz PAFKFSPVCBPUOP-ZDUSSCGKSA-N 1 0 407.862 -0.535 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1)C(=O)[O-] ZINC001170687867 1070837760 /nfs/dbraw/zinc/83/77/60/1070837760.db2.gz GQQVRKQRDULHFS-CABCVRRESA-N 1 0 412.454 -0.200 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1)C(=O)[O-] ZINC001170687868 1070837907 /nfs/dbraw/zinc/83/79/07/1070837907.db2.gz GQQVRKQRDULHFS-GJZGRUSLSA-N 1 0 412.454 -0.200 20 0 HBADRO COC(OC)c1c(C[NH3+])ccnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001170687958 1070837832 /nfs/dbraw/zinc/83/78/32/1070837832.db2.gz UFMMCOJVQBQHTB-ZDUSSCGKSA-N 1 0 406.443 -0.522 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cncc([C@@H]2C[NH+]3CCC2CC3)n1)C(=O)[O-] ZINC001170687964 1070837577 /nfs/dbraw/zinc/83/75/77/1070837577.db2.gz HXWJYRIXULEPFW-CVEARBPZSA-N 1 0 413.482 -0.068 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cncc([C@H]2C[NH+]3CCC2CC3)n1)C(=O)[O-] ZINC001170687967 1070837700 /nfs/dbraw/zinc/83/77/00/1070837700.db2.gz HXWJYRIXULEPFW-HOTGVXAUSA-N 1 0 413.482 -0.068 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ncnc2sc3c(c21)CC[NH2+]C3)C(=O)[O-] ZINC001170688089 1070839539 /nfs/dbraw/zinc/83/95/39/1070839539.db2.gz RWGHONINTMEGFG-LBPRGKRZSA-N 1 0 415.479 -0.017 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(OCC[NH+]2CCCC2)nn1)C(=O)[O-] ZINC001170688139 1070839324 /nfs/dbraw/zinc/83/93/24/1070839324.db2.gz VMTXKXRQIVBMNQ-HNNXBMFYSA-N 1 0 417.470 -0.402 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccnc(N2CCC([NH3+])CC2)n1)C(=O)[O-] ZINC001170688171 1070839472 /nfs/dbraw/zinc/83/94/72/1070839472.db2.gz XKNFPXSGLKWBLF-AWEZNQCLSA-N 1 0 402.459 -0.950 20 0 HBADRO COCC[N@H+](C)Cc1ccnc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1 ZINC001170688478 1070840009 /nfs/dbraw/zinc/84/00/09/1070840009.db2.gz RBGKQBXSYZPMCO-INIZCTEOSA-N 1 0 404.471 -0.194 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(CN2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC001170692880 1070841923 /nfs/dbraw/zinc/84/19/23/1070841923.db2.gz WXFXABPUJDTDJH-SFHVURJKSA-N 1 0 400.483 -0.262 20 0 HBADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])cc1 ZINC001170693264 1070842496 /nfs/dbraw/zinc/84/24/96/1070842496.db2.gz HCAGVBYUBZBAME-PBHICJAKSA-N 1 0 417.466 -0.377 20 0 HBADRO COC(=O)[C@H](C[NH3+])Cc1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])cc1 ZINC001170693265 1070842679 /nfs/dbraw/zinc/84/26/79/1070842679.db2.gz HCAGVBYUBZBAME-YOEHRIQHSA-N 1 0 417.466 -0.377 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC001170693658 1070844735 /nfs/dbraw/zinc/84/47/35/1070844735.db2.gz NBXNCVVCMJCQQG-KRWDZBQOSA-N 1 0 414.466 -0.622 20 0 HBADRO C[NH+]1CCN(c2ccc(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc2)CC1 ZINC001170693756 1070844512 /nfs/dbraw/zinc/84/45/12/1070844512.db2.gz QWLBUSDNQUDJNF-INIZCTEOSA-N 1 0 401.471 -0.520 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1)C(=O)[O-] ZINC001170693759 1070845039 /nfs/dbraw/zinc/84/50/39/1070845039.db2.gz QYFUNKATMQLDTL-DOMZBBRYSA-N 1 0 412.454 -0.547 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1)C(=O)[O-] ZINC001170693760 1070844909 /nfs/dbraw/zinc/84/49/09/1070844909.db2.gz QYFUNKATMQLDTL-WFASDCNBSA-N 1 0 412.454 -0.547 20 0 HBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cccc(CN2CC[C@@H]([NH3+])C2)c1)C(=O)[O-] ZINC001170694071 1070845602 /nfs/dbraw/zinc/84/56/02/1070845602.db2.gz PZARKGDEBXEGDN-QAPCUYQASA-N 1 0 400.483 -0.134 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(S(=O)(=O)NC)CC3)cc2)CC1 ZINC001170745729 1070884056 /nfs/dbraw/zinc/88/40/56/1070884056.db2.gz WNGFKDYOECEBNQ-UHFFFAOYSA-N 1 0 424.571 -0.151 20 0 HBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001170774510 1070894924 /nfs/dbraw/zinc/89/49/24/1070894924.db2.gz CJHONSIJRNCWLQ-QWHCGFSZSA-N 1 0 400.501 -0.887 20 0 HBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001170774512 1070895386 /nfs/dbraw/zinc/89/53/86/1070895386.db2.gz CJHONSIJRNCWLQ-STQMWFEESA-N 1 0 400.501 -0.887 20 0 HBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001170777735 1070897949 /nfs/dbraw/zinc/89/79/49/1070897949.db2.gz TYOHHSGBMURZDQ-INIZCTEOSA-N 1 0 404.515 -0.133 20 0 HBADRO C[C@H]([NH2+][C@@H]1CCCOCC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001170803747 1070925628 /nfs/dbraw/zinc/92/56/28/1070925628.db2.gz JLUOWJJTMSLSRP-LXZKKBNFSA-N 1 0 406.483 -0.432 20 0 HBADRO C[C@H]([NH2+][C@H]1CCCOCC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001170803748 1070925753 /nfs/dbraw/zinc/92/57/53/1070925753.db2.gz JLUOWJJTMSLSRP-QRTARXTBSA-N 1 0 406.483 -0.432 20 0 HBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc[nH+]cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942932 1070989685 /nfs/dbraw/zinc/98/96/85/1070989685.db2.gz VGRXPXCTZAZVPL-FVVUREQNSA-N 1 0 424.406 -0.002 20 0 HBADRO CCOC(=O)CN(CC[NH3+])c1nc2nc(C(=O)OC)ccc2c(N2CCOCC2)n1 ZINC001170992615 1071008364 /nfs/dbraw/zinc/00/83/64/1071008364.db2.gz HSYDXNSXHXXGAM-UHFFFAOYSA-N 1 0 418.454 -0.024 20 0 HBADRO CCOC(=O)CN(CC[NH3+])c1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001170996442 1071009661 /nfs/dbraw/zinc/00/96/61/1071009661.db2.gz SILIPISQOVNXJT-UHFFFAOYSA-N 1 0 400.436 -0.250 20 0 HBADRO CN(CCCNC(=O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC001171026925 1071018167 /nfs/dbraw/zinc/01/81/67/1071018167.db2.gz WHLZQTRNMNCAOO-UHFFFAOYSA-N 1 0 400.545 -0.346 20 0 HBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051303 1071020457 /nfs/dbraw/zinc/02/04/57/1071020457.db2.gz NFDKBAZXZIUDMZ-GDBMZVCRSA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051304 1071020557 /nfs/dbraw/zinc/02/05/57/1071020557.db2.gz NFDKBAZXZIUDMZ-GOEBONIOSA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051305 1071020811 /nfs/dbraw/zinc/02/08/11/1071020811.db2.gz NFDKBAZXZIUDMZ-HOCLYGCPSA-N 1 0 421.523 -0.193 20 0 HBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051306 1071021015 /nfs/dbraw/zinc/02/10/15/1071021015.db2.gz NFDKBAZXZIUDMZ-ZBFHGGJFSA-N 1 0 421.523 -0.193 20 0 HBADRO COC(OC)c1c(C[NH3+])ccnc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171081311 1071028287 /nfs/dbraw/zinc/02/82/87/1071028287.db2.gz APZYCAYUVRXIHZ-UHFFFAOYSA-N 1 0 406.443 -0.369 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccnc(N3CCC([NH3+])CC3)n2)c(=O)[nH]c1=O ZINC001171081981 1071028148 /nfs/dbraw/zinc/02/81/48/1071028148.db2.gz LEISMPAWBQLGDB-UHFFFAOYSA-N 1 0 402.459 -0.797 20 0 HBADRO Cc1cn(CC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c(=O)[nH]c1=O ZINC001171082101 1071028255 /nfs/dbraw/zinc/02/82/55/1071028255.db2.gz ROBKZFLQIKJDRD-UHFFFAOYSA-N 1 0 403.443 -0.579 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ncc(F)c(C3CC[NH2+]CC3)n2)c(=O)[nH]c1=O ZINC001171082585 1071028830 /nfs/dbraw/zinc/02/88/30/1071028830.db2.gz VWSBXJJUTRGOSD-UHFFFAOYSA-N 1 0 405.434 -0.118 20 0 HBADRO CSc1nc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc(C2C[NH2+]C2)n1 ZINC001171082590 1071028622 /nfs/dbraw/zinc/02/86/22/1071028622.db2.gz WGEGFGQTFTZVRD-UHFFFAOYSA-N 1 0 405.484 -0.316 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(OCC[NH+]3CCCC3)nn2)c(=O)[nH]c1=O ZINC001171082618 1071028837 /nfs/dbraw/zinc/02/88/37/1071028837.db2.gz XUYLNNQRXOBHAR-UHFFFAOYSA-N 1 0 417.470 -0.250 20 0 HBADRO Cc1cn(CC(=O)NCCNc2cncc(OCC[NH+]3CCCC3)n2)c(=O)[nH]c1=O ZINC001171082626 1071028699 /nfs/dbraw/zinc/02/86/99/1071028699.db2.gz YDYSSKJXCMIQOV-UHFFFAOYSA-N 1 0 417.470 -0.250 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(N3CC[NH2+][C@H](C)C3)nn2)c(=O)[nH]c1=O ZINC001171082663 1071028714 /nfs/dbraw/zinc/02/87/14/1071028714.db2.gz ZYVUCFWCWGHORR-CYBMUJFWSA-N 1 0 402.459 -0.926 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(N3CC[NH2+][C@@H](C)C3)nn2)c(=O)[nH]c1=O ZINC001171082664 1071028689 /nfs/dbraw/zinc/02/86/89/1071028689.db2.gz ZYVUCFWCWGHORR-ZDUSSCGKSA-N 1 0 402.459 -0.926 20 0 HBADRO COCC[N@H+](C)Cc1ccnc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)c1 ZINC001171083263 1071030035 /nfs/dbraw/zinc/03/00/35/1071030035.db2.gz HMCFMXOVFHJNQH-UHFFFAOYSA-N 1 0 404.471 -0.041 20 0 HBADRO Cc1cn(CC(=O)NCCNc2cncc(N3CCC([NH3+])CC3)n2)c(=O)[nH]c1=O ZINC001171083289 1071030098 /nfs/dbraw/zinc/03/00/98/1071030098.db2.gz ITKFYIJVEQTWGY-UHFFFAOYSA-N 1 0 402.459 -0.797 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)c(=O)[nH]c1=O ZINC001171083311 1071030156 /nfs/dbraw/zinc/03/01/56/1071030156.db2.gz KDKDHDAGUYIQSI-CYBMUJFWSA-N 1 0 403.443 -0.594 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(O[C@H]3CCC[NH2+]C3)nn2)c(=O)[nH]c1=O ZINC001171083312 1071030117 /nfs/dbraw/zinc/03/01/17/1071030117.db2.gz KDKDHDAGUYIQSI-ZDUSSCGKSA-N 1 0 403.443 -0.594 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(CN3CC[NH2+]CC3)cc2)c(=O)[nH]c1=O ZINC001171083558 1071030585 /nfs/dbraw/zinc/03/05/85/1071030585.db2.gz BUJZHEAHIUYYIB-UHFFFAOYSA-N 1 0 400.483 -0.109 20 0 HBADRO Cc1cn(CC(=O)NCCNc2nc(Cl)nc3c2CC[NH2+]CC3)c(=O)[nH]c1=O ZINC001171084403 1071028613 /nfs/dbraw/zinc/02/86/13/1071028613.db2.gz YJBJLCMTPXVONU-UHFFFAOYSA-N 1 0 407.862 -0.383 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)c(=O)[nH]c1=O ZINC001171085258 1071029296 /nfs/dbraw/zinc/02/92/96/1071029296.db2.gz VGCFSXKCVIVEDH-AWEZNQCLSA-N 1 0 412.454 -0.047 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)c(=O)[nH]c1=O ZINC001171085264 1071029380 /nfs/dbraw/zinc/02/93/80/1071029380.db2.gz VGCFSXKCVIVEDH-CQSZACIVSA-N 1 0 412.454 -0.047 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(C(=O)N3CC[NH2+]CC3)cc2)c(=O)[nH]c1=O ZINC001171091286 1071031320 /nfs/dbraw/zinc/03/13/20/1071031320.db2.gz NYDWHNMNGIAZRI-UHFFFAOYSA-N 1 0 414.466 -0.469 20 0 HBADRO COC(=O)[C@H](C[NH3+])Cc1ccc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC001171091313 1071031510 /nfs/dbraw/zinc/03/15/10/1071031510.db2.gz PPRZXRKZNPURIA-HNNXBMFYSA-N 1 0 417.466 -0.224 20 0 HBADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC001171091314 1071031945 /nfs/dbraw/zinc/03/19/45/1071031945.db2.gz PPRZXRKZNPURIA-OAHLLOKOSA-N 1 0 417.466 -0.224 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)[nH]c1=O ZINC001171091770 1071031858 /nfs/dbraw/zinc/03/18/58/1071031858.db2.gz WGYGKGOEBFXVNK-UHFFFAOYSA-N 1 0 401.471 -0.368 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)c(=O)[nH]c1=O ZINC001171092005 1071031797 /nfs/dbraw/zinc/03/17/97/1071031797.db2.gz YJULUTACGRVWEZ-CYBMUJFWSA-N 1 0 412.454 -0.395 20 0 HBADRO Cc1cn(CC(=O)NCCNc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)c(=O)[nH]c1=O ZINC001171092007 1071032000 /nfs/dbraw/zinc/03/20/00/1071032000.db2.gz YJULUTACGRVWEZ-ZDUSSCGKSA-N 1 0 412.454 -0.395 20 0 HBADRO COCC(COC)[NH+]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001171120823 1071037043 /nfs/dbraw/zinc/03/70/43/1071037043.db2.gz UJKVKUZPYMOCOS-UHFFFAOYSA-N 1 0 414.528 -0.058 20 0 HBADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171257500 1071069951 /nfs/dbraw/zinc/06/99/51/1071069951.db2.gz RSPOGZDHRAJKLS-MQVJKMGUSA-N 1 0 401.467 -0.871 20 0 HBADRO N[C@H]1[C@H](n2ccc(Nc3cc(C[NH+]4CCCCC4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262023 1071071420 /nfs/dbraw/zinc/07/14/20/1071071420.db2.gz FKPRWHIUXBNACM-UTRMSSBJSA-N 1 0 416.482 -0.220 20 0 HBADRO N[C@H]1[C@H](n2ccc(Nc3cc(N4CCCCC4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262409 1071072968 /nfs/dbraw/zinc/07/29/68/1071072968.db2.gz MESMHORHFCSKTQ-BNEJOLLZSA-N 1 0 402.455 -0.216 20 0 HBADRO C[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1 ZINC001171262679 1071073554 /nfs/dbraw/zinc/07/35/54/1071073554.db2.gz HYEXZQLEXXZVPZ-RMIBSVFLSA-N 1 0 416.482 -0.049 20 0 HBADRO C[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1 ZINC001171262680 1071073407 /nfs/dbraw/zinc/07/34/07/1071073407.db2.gz HYEXZQLEXXZVPZ-ZUJMEHAASA-N 1 0 416.482 -0.049 20 0 HBADRO N[C@H]1[C@H](n2ccc(Nc3cc[nH+]c(N4CCCCC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264345 1071078427 /nfs/dbraw/zinc/07/84/27/1071078427.db2.gz AUQWRSQEXFOWGY-BNEJOLLZSA-N 1 0 402.455 -0.216 20 0 HBADRO COc1ccc2[nH+]c(C)cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2c1 ZINC001171264431 1071077375 /nfs/dbraw/zinc/07/73/75/1071077375.db2.gz GCLIQDBFGJLOJY-NXWXRZEISA-N 1 0 413.434 -0.148 20 0 HBADRO C[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cc2)CC1 ZINC001171264473 1071077280 /nfs/dbraw/zinc/07/72/80/1071077280.db2.gz IAXGIOQMQHCBHX-NXWXRZEISA-N 1 0 416.482 -0.683 20 0 HBADRO C[NH+](C)Cc1c[nH]c2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c12 ZINC001171264599 1071078125 /nfs/dbraw/zinc/07/81/25/1071078125.db2.gz NWIBDNCJUJBBDK-HALQFCHDSA-N 1 0 415.454 -0.663 20 0 HBADRO CC[NH+](CC)Cc1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1 ZINC001171264735 1071079147 /nfs/dbraw/zinc/07/91/47/1071079147.db2.gz UOGJYYHMYRPTTK-VDHUWJSZSA-N 1 0 404.471 -0.364 20 0 HBADRO C[NH+](C)CCCOc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cn1 ZINC001171266081 1071079976 /nfs/dbraw/zinc/07/99/76/1071079976.db2.gz BRUSXQGPGBJRGX-BNEJOLLZSA-N 1 0 420.470 -0.876 20 0 HBADRO C[N@@H+]1CC[C@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cc2)C1 ZINC001171266380 1071079522 /nfs/dbraw/zinc/07/95/22/1071079522.db2.gz HMMWFIMWMDWJLQ-RSACRBQFSA-N 1 0 401.467 -0.016 20 0 HBADRO C[N@@H+]1CC[C@@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cc2)C1 ZINC001171266381 1071079821 /nfs/dbraw/zinc/07/98/21/1071079821.db2.gz HMMWFIMWMDWJLQ-UGNAIYESSA-N 1 0 401.467 -0.016 20 0 HBADRO Nc1[nH+]ccn1Cc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171266772 1071079474 /nfs/dbraw/zinc/07/94/74/1071079474.db2.gz LMEFMJIHAAGFDV-MWQQHZPXSA-N 1 0 413.438 -0.774 20 0 HBADRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001171309005 1071112413 /nfs/dbraw/zinc/11/24/13/1071112413.db2.gz VYWDAZUVGFBSCL-HNNXBMFYSA-N 1 0 404.471 -0.731 20 0 HBADRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001171309006 1071112541 /nfs/dbraw/zinc/11/25/41/1071112541.db2.gz VYWDAZUVGFBSCL-OAHLLOKOSA-N 1 0 404.471 -0.731 20 0 HBADRO N[C@H]1[C@H](n2ccc(N[C@H]3CCc4c(F)cc(F)cc4C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171348342 1071146904 /nfs/dbraw/zinc/14/69/04/1071146904.db2.gz DAERHZGOEUOWRJ-NQTWQHAWSA-N 1 0 408.405 -0.097 20 0 HBADRO N[C@H]1[C@H](n2ccc(N[C@@H]3CCc4c(F)cc(F)cc4C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171348344 1071147196 /nfs/dbraw/zinc/14/71/96/1071147196.db2.gz DAERHZGOEUOWRJ-UKLXLRDVSA-N 1 0 408.405 -0.097 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)c(=O)[nH]1 ZINC001171462090 1071163379 /nfs/dbraw/zinc/16/33/79/1071163379.db2.gz CWSNJPSKNMTFEV-NQTWQHAWSA-N 1 0 409.389 -0.007 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)c(=O)[nH]1 ZINC001171462092 1071163714 /nfs/dbraw/zinc/16/37/14/1071163714.db2.gz CWSNJPSKNMTFEV-UKLXLRDVSA-N 1 0 409.389 -0.007 20 0 HBADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001171632288 1071165384 /nfs/dbraw/zinc/16/53/84/1071165384.db2.gz WVHGSSKMXWUFBV-JKSUJKDBSA-N 1 0 421.523 -0.154 20 0 HBADRO Cc1cn(CC(=O)NCC[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001171693601 1071167726 /nfs/dbraw/zinc/16/77/26/1071167726.db2.gz IPVUCNSVSQCWSG-GFCCVEGCSA-N 1 0 409.443 -0.501 20 0 HBADRO Cc1cn(CC(=O)NCC[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001171693602 1071167524 /nfs/dbraw/zinc/16/75/24/1071167524.db2.gz IPVUCNSVSQCWSG-LBPRGKRZSA-N 1 0 409.443 -0.501 20 0 HBADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001171712850 1071166797 /nfs/dbraw/zinc/16/67/97/1071166797.db2.gz DVGZIXZNKAFYOE-ZWKOTPCHSA-N 1 0 411.524 -0.258 20 0 HBADRO C[NH+](C)CCN1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC001171714416 1071167082 /nfs/dbraw/zinc/16/70/82/1071167082.db2.gz QIAYOSODQMYCQS-UHFFFAOYSA-N 1 0 408.503 -0.632 20 0 HBADRO C[C@H]1C[C@@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001171733003 1071167837 /nfs/dbraw/zinc/16/78/37/1071167837.db2.gz HDKQVTJECVLPAY-GQEZKYSCSA-N 1 0 416.478 -0.179 20 0 HBADRO C[C@@H]1C[C@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001171733004 1071167810 /nfs/dbraw/zinc/16/78/10/1071167810.db2.gz HDKQVTJECVLPAY-PPOGKFSKSA-N 1 0 416.478 -0.179 20 0 HBADRO C[C@H]1C[C@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001171733005 1071167552 /nfs/dbraw/zinc/16/75/52/1071167552.db2.gz HDKQVTJECVLPAY-SMYFUOBYSA-N 1 0 416.478 -0.179 20 0 HBADRO C[C@@H]1C[C@@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001171733006 1071167742 /nfs/dbraw/zinc/16/77/42/1071167742.db2.gz HDKQVTJECVLPAY-WLEBWSEFSA-N 1 0 416.478 -0.179 20 0 HBADRO C[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735550 1071167922 /nfs/dbraw/zinc/16/79/22/1071167922.db2.gz XPUPAYRWYJSPMD-GQEZKYSCSA-N 1 0 415.494 -0.270 20 0 HBADRO C[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735551 1071167683 /nfs/dbraw/zinc/16/76/83/1071167683.db2.gz XPUPAYRWYJSPMD-PPOGKFSKSA-N 1 0 415.494 -0.270 20 0 HBADRO C[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735552 1071168750 /nfs/dbraw/zinc/16/87/50/1071168750.db2.gz XPUPAYRWYJSPMD-SMYFUOBYSA-N 1 0 415.494 -0.270 20 0 HBADRO C[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735553 1071168636 /nfs/dbraw/zinc/16/86/36/1071168636.db2.gz XPUPAYRWYJSPMD-WLEBWSEFSA-N 1 0 415.494 -0.270 20 0 HBADRO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1Cc1ccccc1 ZINC001171742242 1071168661 /nfs/dbraw/zinc/16/86/61/1071168661.db2.gz UPKBKQDGIPOGQP-JQHSSLGASA-N 1 0 401.511 -0.169 20 0 HBADRO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1Cc1ccccc1 ZINC001171742243 1071168765 /nfs/dbraw/zinc/16/87/65/1071168765.db2.gz UPKBKQDGIPOGQP-NJAFHUGGSA-N 1 0 401.511 -0.169 20 0 HBADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1Cc1ccccc1 ZINC001171742244 1071168791 /nfs/dbraw/zinc/16/87/91/1071168791.db2.gz UPKBKQDGIPOGQP-NXHRZFHOSA-N 1 0 401.511 -0.169 20 0 HBADRO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1Cc1ccccc1 ZINC001171742245 1071168510 /nfs/dbraw/zinc/16/85/10/1071168510.db2.gz UPKBKQDGIPOGQP-SZMVWBNQSA-N 1 0 401.511 -0.169 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171776015 1071167954 /nfs/dbraw/zinc/16/79/54/1071167954.db2.gz MINZGVDOHSADPD-CIHIYUMESA-N 1 0 400.414 -0.076 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171776016 1071167884 /nfs/dbraw/zinc/16/78/84/1071167884.db2.gz MINZGVDOHSADPD-YNCMYWQSSA-N 1 0 400.414 -0.076 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1Cc2cccc(F)c2C1 ZINC001171776624 1071167605 /nfs/dbraw/zinc/16/76/05/1071167605.db2.gz YUALEYGNKMKHFX-GESXYEBJSA-N 1 0 416.413 -0.768 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1Cc2cccc(F)c2C1 ZINC001171776625 1071167793 /nfs/dbraw/zinc/16/77/93/1071167793.db2.gz YUALEYGNKMKHFX-QTPBGHOSSA-N 1 0 416.413 -0.768 20 0 HBADRO C[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1 ZINC001171786488 1071168784 /nfs/dbraw/zinc/16/87/84/1071168784.db2.gz YXMANHLGZZRCRW-UHFFFAOYSA-N 1 0 409.556 -0.151 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)[C@H]1O ZINC001171790900 1071170283 /nfs/dbraw/zinc/17/02/83/1071170283.db2.gz VPXQAJHMACPRBK-CIHIYUMESA-N 1 0 400.414 -0.076 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)[C@H]1O ZINC001171790901 1071170217 /nfs/dbraw/zinc/17/02/17/1071170217.db2.gz VPXQAJHMACPRBK-YNCMYWQSSA-N 1 0 400.414 -0.076 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCOCC1 ZINC001171819782 1071168681 /nfs/dbraw/zinc/16/86/81/1071168681.db2.gz ASACJASQYVEQSK-UHFFFAOYSA-N 1 0 404.467 -0.601 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC12CCC2 ZINC001171836449 1071171028 /nfs/dbraw/zinc/17/10/28/1071171028.db2.gz AXELLLYBCPAJTE-JTAWPXLSSA-N 1 0 402.488 -0.302 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC12CCC2 ZINC001171836450 1071171057 /nfs/dbraw/zinc/17/10/57/1071171057.db2.gz AXELLLYBCPAJTE-SJJUBHFPSA-N 1 0 402.488 -0.302 20 0 HBADRO 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)CC12CCC2 ZINC001171836451 1071171249 /nfs/dbraw/zinc/17/12/49/1071171249.db2.gz AXELLLYBCPAJTE-VIAGDVCTSA-N 1 0 402.488 -0.302 20 0 HBADRO 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)CC12CCC2 ZINC001171836452 1071171193 /nfs/dbraw/zinc/17/11/93/1071171193.db2.gz AXELLLYBCPAJTE-VUVWGQCBSA-N 1 0 402.488 -0.302 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC12CCC2 ZINC001171845127 1071171239 /nfs/dbraw/zinc/17/12/39/1071171239.db2.gz TWJGHFKKXIUXEU-CYBMUJFWSA-N 1 0 411.503 -0.384 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC12CCC2 ZINC001171845128 1071171138 /nfs/dbraw/zinc/17/11/38/1071171138.db2.gz TWJGHFKKXIUXEU-ZDUSSCGKSA-N 1 0 411.503 -0.384 20 0 HBADRO CN(CCCNC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001171868069 1071170905 /nfs/dbraw/zinc/17/09/05/1071170905.db2.gz WDWLQPQTVRCGOQ-KSSFIOAISA-N 1 0 419.544 -0.326 20 0 HBADRO CCOC(=O)C1(C)CCC([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001171941482 1071171925 /nfs/dbraw/zinc/17/19/25/1071171925.db2.gz VTEBOALYEXAKHH-AGQMGONXSA-N 1 0 411.455 -0.330 20 0 HBADRO CC(C)(COCc1ccccc1)NC(=O)NCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001171941654 1071172044 /nfs/dbraw/zinc/17/20/44/1071172044.db2.gz BZZUVFJWUAJSRG-HOTGVXAUSA-N 1 0 405.499 -0.200 20 0 HBADRO CC(C)(COCc1ccccc1)NC(=O)NCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001171941655 1071171822 /nfs/dbraw/zinc/17/18/22/1071171822.db2.gz BZZUVFJWUAJSRG-HZPDHXFCSA-N 1 0 405.499 -0.200 20 0 HBADRO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001171941656 1071171664 /nfs/dbraw/zinc/17/16/64/1071171664.db2.gz BZZUVFJWUAJSRG-IYBDPMFKSA-N 1 0 405.499 -0.200 20 0 HBADRO OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)[C@@H](O)[C@@H]1O ZINC001171992594 1071171960 /nfs/dbraw/zinc/17/19/60/1071171960.db2.gz MQQQEEVGALQBKB-HHARLNAUSA-N 1 0 417.300 -0.193 20 0 HBADRO OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)[C@@H](O)[C@@H]1O ZINC001171992598 1071171759 /nfs/dbraw/zinc/17/17/59/1071171759.db2.gz MQQQEEVGALQBKB-WRQOLXDDSA-N 1 0 417.300 -0.193 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172005222 1071172664 /nfs/dbraw/zinc/17/26/64/1071172664.db2.gz OFLOPZJCTCBOFW-CIQGVGRVSA-N 1 0 403.443 -0.892 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172005223 1071172817 /nfs/dbraw/zinc/17/28/17/1071172817.db2.gz OFLOPZJCTCBOFW-GFQSEFKGSA-N 1 0 403.443 -0.892 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172007548 1071172852 /nfs/dbraw/zinc/17/28/52/1071172852.db2.gz KGTZXAGSJJWCES-COXVUDFISA-N 1 0 404.467 -0.991 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172007549 1071172787 /nfs/dbraw/zinc/17/27/87/1071172787.db2.gz KGTZXAGSJJWCES-JQFCIGGWSA-N 1 0 404.467 -0.991 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172008796 1071172872 /nfs/dbraw/zinc/17/28/72/1071172872.db2.gz TYURQIBTMIPJNQ-AICUMBRKSA-N 1 0 418.494 -0.603 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172008801 1071172714 /nfs/dbraw/zinc/17/27/14/1071172714.db2.gz TYURQIBTMIPJNQ-DTPILHQWSA-N 1 0 418.494 -0.603 20 0 HBADRO O=C1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN1C1CC1 ZINC001172009387 1071172864 /nfs/dbraw/zinc/17/28/64/1071172864.db2.gz NRVLOJUKKWNEIE-GOSISDBHSA-N 1 0 418.531 -0.195 20 0 HBADRO O=C1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN1C1CC1 ZINC001172009388 1071172627 /nfs/dbraw/zinc/17/26/27/1071172627.db2.gz NRVLOJUKKWNEIE-SFHVURJKSA-N 1 0 418.531 -0.195 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@H]2S1(=O)=O ZINC001172014880 1071171688 /nfs/dbraw/zinc/17/16/88/1071171688.db2.gz OXYIVHGREHFJIC-DJIMGWMZSA-N 1 0 412.556 -0.046 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@H]2S1(=O)=O ZINC001172014886 1071172826 /nfs/dbraw/zinc/17/28/26/1071172826.db2.gz OXYIVHGREHFJIC-HYVNUMGLSA-N 1 0 412.556 -0.046 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(N)=O ZINC001172015104 1071172556 /nfs/dbraw/zinc/17/25/56/1071172556.db2.gz BEOFOEPHBXSHEN-IKGGRYGDSA-N 1 0 421.542 -0.263 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(N)=O ZINC001172015122 1071172643 /nfs/dbraw/zinc/17/26/43/1071172643.db2.gz BEOFOEPHBXSHEN-ULQDDVLXSA-N 1 0 421.542 -0.263 20 0 HBADRO CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CC1=O ZINC001172033584 1071172598 /nfs/dbraw/zinc/17/25/98/1071172598.db2.gz OSGXDTNWISDYGX-GOSISDBHSA-N 1 0 406.520 -0.338 20 0 HBADRO CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CC1=O ZINC001172033585 1071172833 /nfs/dbraw/zinc/17/28/33/1071172833.db2.gz OSGXDTNWISDYGX-SFHVURJKSA-N 1 0 406.520 -0.338 20 0 HBADRO CCN1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1=O ZINC001172035327 1071173510 /nfs/dbraw/zinc/17/35/10/1071173510.db2.gz ITBYOTQRXGUFCA-KSFRPEIDSA-N 1 0 419.486 -0.888 20 0 HBADRO CCN1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1=O ZINC001172035328 1071173412 /nfs/dbraw/zinc/17/34/12/1071173412.db2.gz ITBYOTQRXGUFCA-UCTKEYDRSA-N 1 0 419.486 -0.888 20 0 HBADRO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1=O ZINC001172042472 1071173347 /nfs/dbraw/zinc/17/33/47/1071173347.db2.gz XJWWGCBDWGJUEO-MWDXBVQZSA-N 1 0 413.540 -0.409 20 0 HBADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1=O ZINC001172042475 1071173378 /nfs/dbraw/zinc/17/33/78/1071173378.db2.gz XJWWGCBDWGJUEO-QBPKDAKJSA-N 1 0 413.540 -0.409 20 0 HBADRO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1=O ZINC001172042476 1071173404 /nfs/dbraw/zinc/17/34/04/1071173404.db2.gz XJWWGCBDWGJUEO-YLFCFFPRSA-N 1 0 413.540 -0.409 20 0 HBADRO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1=O ZINC001172042478 1071173368 /nfs/dbraw/zinc/17/33/68/1071173368.db2.gz XJWWGCBDWGJUEO-YYIAUSFCSA-N 1 0 413.540 -0.409 20 0 HBADRO CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC1=O ZINC001172042906 1071173643 /nfs/dbraw/zinc/17/36/43/1071173643.db2.gz LNTJAUQDMJVETO-BZUAXINKSA-N 1 0 400.545 -0.189 20 0 HBADRO CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC1=O ZINC001172042915 1071173563 /nfs/dbraw/zinc/17/35/63/1071173563.db2.gz LNTJAUQDMJVETO-OWCLPIDISA-N 1 0 400.545 -0.189 20 0 HBADRO CCN1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC1=O ZINC001172044290 1071173385 /nfs/dbraw/zinc/17/33/85/1071173385.db2.gz TYMOKEXTYJTCMJ-CAGXHZNZSA-N 1 0 406.483 -0.745 20 0 HBADRO CCN1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC1=O ZINC001172044292 1071173520 /nfs/dbraw/zinc/17/35/20/1071173520.db2.gz TYMOKEXTYJTCMJ-XJOINEQPSA-N 1 0 406.483 -0.745 20 0 HBADRO CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC1=O ZINC001172045316 1071173600 /nfs/dbraw/zinc/17/36/00/1071173600.db2.gz GPXUVPBTKPZPLB-JYJNAYRXSA-N 1 0 409.531 -0.406 20 0 HBADRO CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC1=O ZINC001172045318 1071173484 /nfs/dbraw/zinc/17/34/84/1071173484.db2.gz GPXUVPBTKPZPLB-PMPSAXMXSA-N 1 0 409.531 -0.406 20 0 HBADRO NC(=O)CNC(=O)CNC(=O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079344 1071173659 /nfs/dbraw/zinc/17/36/59/1071173659.db2.gz NKVRAVDVYRLLGH-BCDXTJNWSA-N 1 0 401.511 -0.121 20 0 HBADRO NC(=O)CNC(=O)CNC(=O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079347 1071173528 /nfs/dbraw/zinc/17/35/28/1071173528.db2.gz NKVRAVDVYRLLGH-NNZMDNLPSA-N 1 0 401.511 -0.121 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172087415 1071173475 /nfs/dbraw/zinc/17/34/75/1071173475.db2.gz FQLYKGLCVQCBRL-BTTYYORXSA-N 1 0 411.503 -0.386 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172087437 1071173557 /nfs/dbraw/zinc/17/35/57/1071173557.db2.gz FQLYKGLCVQCBRL-ZSOGYDGISA-N 1 0 411.503 -0.386 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172094196 1071174510 /nfs/dbraw/zinc/17/45/10/1071174510.db2.gz KHQJRPDSNHXYPT-CZGWVLNJSA-N 1 0 402.488 -0.304 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172094198 1071174308 /nfs/dbraw/zinc/17/43/08/1071174308.db2.gz KHQJRPDSNHXYPT-FCMHJRNHSA-N 1 0 402.488 -0.304 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172094199 1071174630 /nfs/dbraw/zinc/17/46/30/1071174630.db2.gz KHQJRPDSNHXYPT-QREYYQGZSA-N 1 0 402.488 -0.304 20 0 HBADRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172094200 1071174689 /nfs/dbraw/zinc/17/46/89/1071174689.db2.gz KHQJRPDSNHXYPT-ZLIZXFABSA-N 1 0 402.488 -0.304 20 0 HBADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108587 1071174606 /nfs/dbraw/zinc/17/46/06/1071174606.db2.gz XWDXHLOMBDQAKD-ASVXTDKMSA-N 1 0 403.487 -0.367 20 0 HBADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108588 1071174432 /nfs/dbraw/zinc/17/44/32/1071174432.db2.gz XWDXHLOMBDQAKD-BGEFAGLPSA-N 1 0 403.487 -0.367 20 0 HBADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113263 1071175247 /nfs/dbraw/zinc/17/52/47/1071175247.db2.gz HZRSBNVREPTEBD-KWWJQKEASA-N 1 0 404.511 -0.129 20 0 HBADRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113270 1071175173 /nfs/dbraw/zinc/17/51/73/1071175173.db2.gz HZRSBNVREPTEBD-MGGVOPSTSA-N 1 0 404.511 -0.129 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@@H]2COC[C@H](C1)N2C)C(N)=O ZINC001172135219 1071174528 /nfs/dbraw/zinc/17/45/28/1071174528.db2.gz RCUUMDAHIBHQRH-QSRTUYLASA-N 1 0 420.510 -0.895 20 0 HBADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2 ZINC001172137409 1071174585 /nfs/dbraw/zinc/17/45/85/1071174585.db2.gz RSSNMDRDZMNQPA-GKTUAVMOSA-N 1 0 416.526 -0.079 20 0 HBADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)C2 ZINC001172137410 1071174562 /nfs/dbraw/zinc/17/45/62/1071174562.db2.gz RSSNMDRDZMNQPA-RHXYGLJOSA-N 1 0 416.526 -0.079 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)CC[C@H]2S1(=O)=O ZINC001172140573 1071174639 /nfs/dbraw/zinc/17/46/39/1071174639.db2.gz WUKKIEPOGXWSDN-AJYUKVHDSA-N 1 0 414.572 -0.338 20 0 HBADRO O=C1CC[C@H]2C[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN12 ZINC001172154369 1071175416 /nfs/dbraw/zinc/17/54/16/1071175416.db2.gz JFQDRFHNVBZGHK-MOPGFXCFSA-N 1 0 418.531 -0.195 20 0 HBADRO O=C1CC[C@H]2C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN12 ZINC001172154370 1071175400 /nfs/dbraw/zinc/17/54/00/1071175400.db2.gz JFQDRFHNVBZGHK-OALUTQOASA-N 1 0 418.531 -0.195 20 0 HBADRO O=C1CC[C@@H]2C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN12 ZINC001172154371 1071175330 /nfs/dbraw/zinc/17/53/30/1071175330.db2.gz JFQDRFHNVBZGHK-RBUKOAKNSA-N 1 0 418.531 -0.195 20 0 HBADRO O=C1CC[C@@H]2C[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CCN12 ZINC001172154372 1071175382 /nfs/dbraw/zinc/17/53/82/1071175382.db2.gz JFQDRFHNVBZGHK-RTBURBONSA-N 1 0 418.531 -0.195 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159662 1071175350 /nfs/dbraw/zinc/17/53/50/1071175350.db2.gz RNFVELAVXQWFIV-OIRVYTLQSA-N 1 0 403.443 -0.892 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159664 1071175475 /nfs/dbraw/zinc/17/54/75/1071175475.db2.gz RNFVELAVXQWFIV-SVPLCASGSA-N 1 0 403.443 -0.892 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159667 1071175452 /nfs/dbraw/zinc/17/54/52/1071175452.db2.gz RNFVELAVXQWFIV-YGEZULPYSA-N 1 0 403.443 -0.892 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159669 1071175465 /nfs/dbraw/zinc/17/54/65/1071175465.db2.gz RNFVELAVXQWFIV-ZXPJVPCYSA-N 1 0 403.443 -0.892 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172165111 1071175470 /nfs/dbraw/zinc/17/54/70/1071175470.db2.gz HLFXCDLRLPJCCY-ARXUOSEMSA-N 1 0 418.494 -0.603 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172165112 1071175427 /nfs/dbraw/zinc/17/54/27/1071175427.db2.gz HLFXCDLRLPJCCY-LDKMJRAFSA-N 1 0 418.494 -0.603 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172165113 1071175324 /nfs/dbraw/zinc/17/53/24/1071175324.db2.gz HLFXCDLRLPJCCY-MBCQDKQCSA-N 1 0 418.494 -0.603 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172165114 1071175216 /nfs/dbraw/zinc/17/52/16/1071175216.db2.gz HLFXCDLRLPJCCY-OWFZDDNYSA-N 1 0 418.494 -0.603 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166954 1071175435 /nfs/dbraw/zinc/17/54/35/1071175435.db2.gz SMFDRTPZQGLMFA-FSDCSDTHSA-N 1 0 404.467 -0.991 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166955 1071176396 /nfs/dbraw/zinc/17/63/96/1071176396.db2.gz SMFDRTPZQGLMFA-JHNDHUHGSA-N 1 0 404.467 -0.991 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166956 1071176323 /nfs/dbraw/zinc/17/63/23/1071176323.db2.gz SMFDRTPZQGLMFA-OHFALNGGSA-N 1 0 404.467 -0.991 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166957 1071176120 /nfs/dbraw/zinc/17/61/20/1071176120.db2.gz SMFDRTPZQGLMFA-OTRWWLKZSA-N 1 0 404.467 -0.991 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172170908 1071176256 /nfs/dbraw/zinc/17/62/56/1071176256.db2.gz KGDUAIIPJJNZFC-CVEARBPZSA-N 1 0 403.483 -0.135 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172170911 1071176238 /nfs/dbraw/zinc/17/62/38/1071176238.db2.gz KGDUAIIPJJNZFC-HOTGVXAUSA-N 1 0 403.483 -0.135 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172170913 1071176359 /nfs/dbraw/zinc/17/63/59/1071176359.db2.gz KGDUAIIPJJNZFC-HZPDHXFCSA-N 1 0 403.483 -0.135 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172170915 1071176182 /nfs/dbraw/zinc/17/61/82/1071176182.db2.gz KGDUAIIPJJNZFC-JKSUJKDBSA-N 1 0 403.483 -0.135 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@H]2S1(=O)=O ZINC001172179724 1071176277 /nfs/dbraw/zinc/17/62/77/1071176277.db2.gz VFDJCGRWQKYPNT-LTIDMASMSA-N 1 0 412.556 -0.046 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@H]2S1(=O)=O ZINC001172179725 1071176376 /nfs/dbraw/zinc/17/63/76/1071176376.db2.gz VFDJCGRWQKYPNT-QBPKDAKJSA-N 1 0 412.556 -0.046 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@H]2S1(=O)=O ZINC001172179726 1071176308 /nfs/dbraw/zinc/17/63/08/1071176308.db2.gz VFDJCGRWQKYPNT-WCXIOVBPSA-N 1 0 412.556 -0.046 20 0 HBADRO CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@H]2S1(=O)=O ZINC001172179727 1071176158 /nfs/dbraw/zinc/17/61/58/1071176158.db2.gz VFDJCGRWQKYPNT-YYIAUSFCSA-N 1 0 412.556 -0.046 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)NCC(N)=O ZINC001172181633 1071176290 /nfs/dbraw/zinc/17/62/90/1071176290.db2.gz ZIRKTPXHSIHUGV-NCOADZHNSA-N 1 0 421.542 -0.263 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCN2C(=O)CC[C@H]2C1)C(=O)NCC(N)=O ZINC001172181634 1071176340 /nfs/dbraw/zinc/17/63/40/1071176340.db2.gz ZIRKTPXHSIHUGV-QAETUUGQSA-N 1 0 421.542 -0.263 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)NCC(N)=O ZINC001172181635 1071176069 /nfs/dbraw/zinc/17/60/69/1071176069.db2.gz ZIRKTPXHSIHUGV-QZWWFDLISA-N 1 0 421.542 -0.263 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1)C(=O)NCC(N)=O ZINC001172181636 1071176217 /nfs/dbraw/zinc/17/62/17/1071176217.db2.gz ZIRKTPXHSIHUGV-YVSFHVDLSA-N 1 0 421.542 -0.263 20 0 HBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)[C@H]1O ZINC001172220093 1071177004 /nfs/dbraw/zinc/17/70/04/1071177004.db2.gz BTDRBXFAWODXCD-XKFPDMFFSA-N 1 0 404.471 -0.189 20 0 HBADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172225721 1071177124 /nfs/dbraw/zinc/17/71/24/1071177124.db2.gz IQCHKLMSTQLFPL-NYXIWFNCSA-N 1 0 418.494 -0.291 20 0 HBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[C@H]1O ZINC001172235053 1071177192 /nfs/dbraw/zinc/17/71/92/1071177192.db2.gz SWORGCSANVGEGR-XKFPDMFFSA-N 1 0 402.455 -0.413 20 0 HBADRO C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172235383 1071177039 /nfs/dbraw/zinc/17/70/39/1071177039.db2.gz ADBJBLMOHDAJDU-NYXIWFNCSA-N 1 0 416.478 -0.515 20 0 HBADRO COCCC[NH+]1CCC(N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001172248624 1071177201 /nfs/dbraw/zinc/17/72/01/1071177201.db2.gz COOSISBJBWQFBD-KKUMJFAQSA-N 1 0 400.520 -0.352 20 0 HBADRO COCCC[NH+]1CCC(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172248778 1071177100 /nfs/dbraw/zinc/17/71/00/1071177100.db2.gz AHQDLVRVPMZJDE-OALUTQOASA-N 1 0 422.526 -0.644 20 0 HBADRO COCCC[NH+]1CCC(N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172249887 1071177229 /nfs/dbraw/zinc/17/72/29/1071177229.db2.gz OWVLTTBCVTZEHJ-OALUTQOASA-N 1 0 406.527 -0.349 20 0 HBADRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172261257 1071177062 /nfs/dbraw/zinc/17/70/62/1071177062.db2.gz UHCUQLIZSUOWHF-YEMRUFCGSA-N 1 0 407.463 -0.010 20 0 HBADRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172261258 1071177181 /nfs/dbraw/zinc/17/71/81/1071177181.db2.gz UHCUQLIZSUOWHF-YXYPEXGRSA-N 1 0 407.463 -0.010 20 0 HBADRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172265284 1071177279 /nfs/dbraw/zinc/17/72/79/1071177279.db2.gz KJFDETUGOFPBQE-DRPJVOAASA-N 1 0 405.451 -0.123 20 0 HBADRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172265285 1071177080 /nfs/dbraw/zinc/17/70/80/1071177080.db2.gz KJFDETUGOFPBQE-QCEMKRCNSA-N 1 0 405.451 -0.123 20 0 HBADRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172279852 1071178063 /nfs/dbraw/zinc/17/80/63/1071178063.db2.gz LAUCKCJGOYWHKH-BJJXKVORSA-N 1 0 406.483 -0.433 20 0 HBADRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172279855 1071178093 /nfs/dbraw/zinc/17/80/93/1071178093.db2.gz LAUCKCJGOYWHKH-NOLJZWGESA-N 1 0 406.483 -0.433 20 0 HBADRO CC[C@H](C)OCC[C@@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172320910 1071178118 /nfs/dbraw/zinc/17/81/18/1071178118.db2.gz APNOQZVLVABENQ-IEJYECKHSA-N 1 0 410.475 -0.481 20 0 HBADRO CC[C@@H](C)OCC[C@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172320924 1071177989 /nfs/dbraw/zinc/17/79/89/1071177989.db2.gz APNOQZVLVABENQ-JTDMUGJQSA-N 1 0 410.475 -0.481 20 0 HBADRO CC[C@H](C)OCC[C@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172320928 1071178132 /nfs/dbraw/zinc/17/81/32/1071178132.db2.gz APNOQZVLVABENQ-LZDTYBMTSA-N 1 0 410.475 -0.481 20 0 HBADRO CC[C@@H](C)OCC[C@@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172320934 1071177847 /nfs/dbraw/zinc/17/78/47/1071177847.db2.gz APNOQZVLVABENQ-WWKTTZRHSA-N 1 0 410.475 -0.481 20 0 HBADRO CCOCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172422442 1071178029 /nfs/dbraw/zinc/17/80/29/1071178029.db2.gz DZNGMIXYIQJWKO-KEYYUXOJSA-N 1 0 408.499 -0.186 20 0 HBADRO CCOCC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172422444 1071177874 /nfs/dbraw/zinc/17/78/74/1071177874.db2.gz DZNGMIXYIQJWKO-ZQIUZPCESA-N 1 0 408.499 -0.186 20 0 HBADRO CC(C)COCC[C@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172462576 1071178107 /nfs/dbraw/zinc/17/81/07/1071178107.db2.gz RZLWJGDKNVLPAM-GCXGIZPZSA-N 1 0 410.475 -0.623 20 0 HBADRO CC(C)COCC[C@@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172462577 1071177959 /nfs/dbraw/zinc/17/79/59/1071177959.db2.gz RZLWJGDKNVLPAM-JZLXNPJKSA-N 1 0 410.475 -0.623 20 0 HBADRO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC[C@H]2C1 ZINC001172531469 1071178022 /nfs/dbraw/zinc/17/80/22/1071178022.db2.gz SMIHSWCHNJLVRD-NDWFMFLQSA-N 1 0 420.506 -0.293 20 0 HBADRO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC[C@H]2C1 ZINC001172531471 1071177825 /nfs/dbraw/zinc/17/78/25/1071177825.db2.gz SMIHSWCHNJLVRD-VFICWFHVSA-N 1 0 420.506 -0.293 20 0 HBADRO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC[C@H]2C1 ZINC001172531472 1071177953 /nfs/dbraw/zinc/17/79/53/1071177953.db2.gz SMIHSWCHNJLVRD-VGGUBAMFSA-N 1 0 420.506 -0.293 20 0 HBADRO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC[C@H]2C1 ZINC001172531474 1071178784 /nfs/dbraw/zinc/17/87/84/1071178784.db2.gz SMIHSWCHNJLVRD-VITLYVDKSA-N 1 0 420.506 -0.293 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001172596265 1071178989 /nfs/dbraw/zinc/17/89/89/1071178989.db2.gz XXGLFGQJAPCGGQ-IEJYECKHSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001172596269 1071178877 /nfs/dbraw/zinc/17/88/77/1071178877.db2.gz XXGLFGQJAPCGGQ-JTDMUGJQSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001172596271 1071178941 /nfs/dbraw/zinc/17/89/41/1071178941.db2.gz XXGLFGQJAPCGGQ-LZDTYBMTSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001172596273 1071178795 /nfs/dbraw/zinc/17/87/95/1071178795.db2.gz XXGLFGQJAPCGGQ-WWKTTZRHSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@H]1CCC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001172607277 1071179639 /nfs/dbraw/zinc/17/96/39/1071179639.db2.gz XOLRNILTZUZMQJ-JZRPKSSGSA-N 1 0 406.443 -0.313 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001172607282 1071179756 /nfs/dbraw/zinc/17/97/56/1071179756.db2.gz XOLRNILTZUZMQJ-KSSYENDESA-N 1 0 406.443 -0.313 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001172607283 1071179561 /nfs/dbraw/zinc/17/95/61/1071179561.db2.gz XOLRNILTZUZMQJ-OBPIAQAESA-N 1 0 406.443 -0.313 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001172607284 1071179634 /nfs/dbraw/zinc/17/96/34/1071179634.db2.gz XOLRNILTZUZMQJ-UJPOAAIJSA-N 1 0 406.443 -0.313 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001172609088 1071179665 /nfs/dbraw/zinc/17/96/65/1071179665.db2.gz DSLFGCAGKSMDOY-FSDCSDTHSA-N 1 0 407.467 -0.413 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001172609089 1071179787 /nfs/dbraw/zinc/17/97/87/1071179787.db2.gz DSLFGCAGKSMDOY-JHNDHUHGSA-N 1 0 407.467 -0.413 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001172609090 1071179761 /nfs/dbraw/zinc/17/97/61/1071179761.db2.gz DSLFGCAGKSMDOY-OHFALNGGSA-N 1 0 407.467 -0.413 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001172609091 1071179707 /nfs/dbraw/zinc/17/97/07/1071179707.db2.gz DSLFGCAGKSMDOY-OTRWWLKZSA-N 1 0 407.467 -0.413 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001172612288 1071179716 /nfs/dbraw/zinc/17/97/16/1071179716.db2.gz RNXYCMAXKZBADK-DNBIXMRYSA-N 1 0 421.494 -0.024 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001172612289 1071179627 /nfs/dbraw/zinc/17/96/27/1071179627.db2.gz RNXYCMAXKZBADK-FUXXODJASA-N 1 0 421.494 -0.024 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001172612290 1071179592 /nfs/dbraw/zinc/17/95/92/1071179592.db2.gz RNXYCMAXKZBADK-JGLPAQRISA-N 1 0 421.494 -0.024 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001172612291 1071179731 /nfs/dbraw/zinc/17/97/31/1071179731.db2.gz RNXYCMAXKZBADK-ZVEIASASSA-N 1 0 421.494 -0.024 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001172613716 1071179647 /nfs/dbraw/zinc/17/96/47/1071179647.db2.gz VYRJCOPYQQNDEG-IEJYECKHSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001172613717 1071179772 /nfs/dbraw/zinc/17/97/72/1071179772.db2.gz VYRJCOPYQQNDEG-JTDMUGJQSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001172613718 1071179582 /nfs/dbraw/zinc/17/95/82/1071179582.db2.gz VYRJCOPYQQNDEG-LZDTYBMTSA-N 1 0 406.443 -0.651 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001172613719 1071179743 /nfs/dbraw/zinc/17/97/43/1071179743.db2.gz VYRJCOPYQQNDEG-WWKTTZRHSA-N 1 0 406.443 -0.651 20 0 HBADRO CC1(C)CC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC(C)(C)O1 ZINC001172646622 1071179572 /nfs/dbraw/zinc/17/95/72/1071179572.db2.gz CYSXINKLDQQBGX-QQHRNGFRSA-N 1 0 422.486 -0.338 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676938 1071179684 /nfs/dbraw/zinc/17/96/84/1071179684.db2.gz UDJYCSDBFQKCLG-INIZCTEOSA-N 1 0 404.467 -0.437 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676946 1071180829 /nfs/dbraw/zinc/18/08/29/1071180829.db2.gz UDJYCSDBFQKCLG-MRXNPFEDSA-N 1 0 404.467 -0.437 20 0 HBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172677705 1071180809 /nfs/dbraw/zinc/18/08/09/1071180809.db2.gz BITSSXLUEDYONU-IRXDYDNUSA-N 1 0 415.494 -0.640 20 0 HBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172677710 1071180648 /nfs/dbraw/zinc/18/06/48/1071180648.db2.gz BITSSXLUEDYONU-SJORKVTESA-N 1 0 415.494 -0.640 20 0 HBADRO COC(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCCO)CC1 ZINC001172733000 1071180633 /nfs/dbraw/zinc/18/06/33/1071180633.db2.gz WKMNBOUCVZNIBM-UHFFFAOYSA-N 1 0 422.519 -0.118 20 0 HBADRO COC(=O)N1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001172733860 1071180615 /nfs/dbraw/zinc/18/06/15/1071180615.db2.gz FASBUEUJYDSXNP-QJPTWQEYSA-N 1 0 407.431 -0.814 20 0 HBADRO COC(=O)N1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172735466 1071180744 /nfs/dbraw/zinc/18/07/44/1071180744.db2.gz AMTVJWGKCFJJSA-HOTGVXAUSA-N 1 0 408.455 -0.914 20 0 HBADRO COC(=O)N1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC1 ZINC001172735495 1071180551 /nfs/dbraw/zinc/18/05/51/1071180551.db2.gz BHDTZHAIXKWCRM-DQYPLSBCSA-N 1 0 422.482 -0.525 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+]C1CCN(C(=O)OC)CC1)NC(=O)CNC(C)=O ZINC001172737075 1071180793 /nfs/dbraw/zinc/18/07/93/1071180793.db2.gz YCYBDDNGPNQZSL-HNNXBMFYSA-N 1 0 400.476 -0.229 20 0 HBADRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001172745612 1071180668 /nfs/dbraw/zinc/18/06/68/1071180668.db2.gz GXYFYXSIUUOSSI-OWDTUVHZSA-N 1 0 408.459 -0.262 20 0 HBADRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001172745629 1071180479 /nfs/dbraw/zinc/18/04/79/1071180479.db2.gz GXYFYXSIUUOSSI-PBRPVXPMSA-N 1 0 408.459 -0.262 20 0 HBADRO CC(C)OC(=O)CC[C@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172747596 1071180699 /nfs/dbraw/zinc/18/06/99/1071180699.db2.gz ZGNHZIHRFTXTRV-FJIUSIIDSA-N 1 0 424.458 -0.954 20 0 HBADRO CC(C)OC(=O)CC[C@@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172747597 1071180854 /nfs/dbraw/zinc/18/08/54/1071180854.db2.gz ZGNHZIHRFTXTRV-RUEZXQRGSA-N 1 0 424.458 -0.954 20 0 HBADRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001172748540 1071180843 /nfs/dbraw/zinc/18/08/43/1071180843.db2.gz DZYYSTJFHNYELV-OWDTUVHZSA-N 1 0 408.459 -0.262 20 0 HBADRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001172748542 1071180570 /nfs/dbraw/zinc/18/05/70/1071180570.db2.gz DZYYSTJFHNYELV-PBRPVXPMSA-N 1 0 408.459 -0.262 20 0 HBADRO CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001172750515 1071180503 /nfs/dbraw/zinc/18/05/03/1071180503.db2.gz PUMKPYXEMMWBRK-COXVUDFISA-N 1 0 409.483 -0.024 20 0 HBADRO CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001172750516 1071180683 /nfs/dbraw/zinc/18/06/83/1071180683.db2.gz PUMKPYXEMMWBRK-JQFCIGGWSA-N 1 0 409.483 -0.024 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC1 ZINC001172775048 1071181510 /nfs/dbraw/zinc/18/15/10/1071181510.db2.gz ZAJMNKZXBZJRDW-CHDCVOSJSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC1 ZINC001172775058 1071181561 /nfs/dbraw/zinc/18/15/61/1071181561.db2.gz ZAJMNKZXBZJRDW-NVZKKKRGSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC1 ZINC001172775059 1071181377 /nfs/dbraw/zinc/18/13/77/1071181377.db2.gz ZAJMNKZXBZJRDW-RGFYEGLYSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC1 ZINC001172775060 1071181587 /nfs/dbraw/zinc/18/15/87/1071181587.db2.gz ZAJMNKZXBZJRDW-RJQJLZBDSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001172785496 1071181569 /nfs/dbraw/zinc/18/15/69/1071181569.db2.gz OYTRSEMIZFYSMW-CHDCVOSJSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001172785500 1071181238 /nfs/dbraw/zinc/18/12/38/1071181238.db2.gz OYTRSEMIZFYSMW-NVZKKKRGSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001172785504 1071181410 /nfs/dbraw/zinc/18/14/10/1071181410.db2.gz OYTRSEMIZFYSMW-RGFYEGLYSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001172785508 1071181582 /nfs/dbraw/zinc/18/15/82/1071181582.db2.gz OYTRSEMIZFYSMW-RJQJLZBDSA-N 1 0 420.470 -0.261 20 0 HBADRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172789192 1071181553 /nfs/dbraw/zinc/18/15/53/1071181553.db2.gz ZHDRSQOZEKRSDC-FZCLSBEQSA-N 1 0 421.494 -0.023 20 0 HBADRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172789193 1071181484 /nfs/dbraw/zinc/18/14/84/1071181484.db2.gz ZHDRSQOZEKRSDC-LAQRGFTBSA-N 1 0 421.494 -0.023 20 0 HBADRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172789304 1071181453 /nfs/dbraw/zinc/18/14/53/1071181453.db2.gz ZHDRSQOZEKRSDC-LMSBXDPUSA-N 1 0 421.494 -0.023 20 0 HBADRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172789305 1071182372 /nfs/dbraw/zinc/18/23/72/1071182372.db2.gz ZHDRSQOZEKRSDC-MVJTYMMSSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886613 1071182406 /nfs/dbraw/zinc/18/24/06/1071182406.db2.gz IQFURTZBIIBFAV-UHFFFAOYSA-N 1 0 414.503 -0.822 20 0 HBADRO Cc1cn(CC(=O)NCC[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001172887235 1071182167 /nfs/dbraw/zinc/18/21/67/1071182167.db2.gz KITJOKGTPZPQHS-UHFFFAOYSA-N 1 0 423.514 -0.231 20 0 HBADRO CC(C)(C)OC(=O)CN1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001172889319 1071182306 /nfs/dbraw/zinc/18/23/06/1071182306.db2.gz VXDRTNXVPLMPOK-UHFFFAOYSA-N 1 0 404.577 -0.041 20 0 HBADRO C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172892859 1071182413 /nfs/dbraw/zinc/18/24/13/1071182413.db2.gz UOFXUOKSLPRCJJ-ARYPMIFLSA-N 1 0 404.504 -0.774 20 0 HBADRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172931752 1071182141 /nfs/dbraw/zinc/18/21/41/1071182141.db2.gz LRKMTTNNIIBDCL-DHXZDTOLSA-N 1 0 420.510 -0.043 20 0 HBADRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172931766 1071182353 /nfs/dbraw/zinc/18/23/53/1071182353.db2.gz LRKMTTNNIIBDCL-IKICRFKJSA-N 1 0 420.510 -0.043 20 0 HBADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172931769 1071182274 /nfs/dbraw/zinc/18/22/74/1071182274.db2.gz LRKMTTNNIIBDCL-NZPGVSJUSA-N 1 0 420.510 -0.043 20 0 HBADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172931772 1071182292 /nfs/dbraw/zinc/18/22/92/1071182292.db2.gz LRKMTTNNIIBDCL-PLYYQAHHSA-N 1 0 420.510 -0.043 20 0 HBADRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001172965220 1071182387 /nfs/dbraw/zinc/18/23/87/1071182387.db2.gz ZARAWWUMEFZXKG-KBPBESRZSA-N 1 0 413.519 -0.186 20 0 HBADRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001172965224 1071182325 /nfs/dbraw/zinc/18/23/25/1071182325.db2.gz ZARAWWUMEFZXKG-KGLIPLIRSA-N 1 0 413.519 -0.186 20 0 HBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172996520 1071182860 /nfs/dbraw/zinc/18/28/60/1071182860.db2.gz BZHJXAKTTKRRIF-UHFFFAOYSA-N 1 0 422.457 -0.185 20 0 HBADRO C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001173001156 1071183162 /nfs/dbraw/zinc/18/31/62/1071183162.db2.gz IVWRQHOCQJMAGN-CXAZJQLCSA-N 1 0 412.458 -0.136 20 0 HBADRO CCCOC1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001173092248 1071182892 /nfs/dbraw/zinc/18/28/92/1071182892.db2.gz KODJWEDDCSZDNY-VYPDGURQSA-N 1 0 422.486 -0.337 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173123134 1071182802 /nfs/dbraw/zinc/18/28/02/1071182802.db2.gz AHJGYDVUMPFHFC-IVSFNIFMSA-N 1 0 403.468 -0.369 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173123137 1071183113 /nfs/dbraw/zinc/18/31/13/1071183113.db2.gz AHJGYDVUMPFHFC-YORXVUMOSA-N 1 0 403.468 -0.369 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCc2ncsc2C1 ZINC001173125870 1071183247 /nfs/dbraw/zinc/18/32/47/1071183247.db2.gz IPDIDTSNRSJZMP-FIQUKUQUSA-N 1 0 403.468 -0.031 20 0 HBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCc2ncsc2C1 ZINC001173125872 1071183039 /nfs/dbraw/zinc/18/30/39/1071183039.db2.gz IPDIDTSNRSJZMP-INTNWOOBSA-N 1 0 403.468 -0.031 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCc3ncsc3C2)[C@H]1O ZINC001173136543 1071183288 /nfs/dbraw/zinc/18/32/88/1071183288.db2.gz QSROTEOMGNQKFI-IVSFNIFMSA-N 1 0 403.468 -0.369 20 0 HBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCc3ncsc3C2)[C@H]1O ZINC001173136544 1071183310 /nfs/dbraw/zinc/18/33/10/1071183310.db2.gz QSROTEOMGNQKFI-YORXVUMOSA-N 1 0 403.468 -0.369 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136914 1071183320 /nfs/dbraw/zinc/18/33/20/1071183320.db2.gz RVVCYDCNIGZKAH-KCXAZCMYSA-N 1 0 404.492 -0.131 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136920 1071183176 /nfs/dbraw/zinc/18/31/76/1071183176.db2.gz RVVCYDCNIGZKAH-RCBQFDQVSA-N 1 0 404.492 -0.131 20 0 HBADRO CCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001173357040 1071185087 /nfs/dbraw/zinc/18/50/87/1071185087.db2.gz MXBOIYBLFPPCQQ-LXZKKBNFSA-N 1 0 405.499 -0.907 20 0 HBADRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001173357047 1071185000 /nfs/dbraw/zinc/18/50/00/1071185000.db2.gz MXBOIYBLFPPCQQ-QRTARXTBSA-N 1 0 405.499 -0.907 20 0 HBADRO CCN1CC[C@H]([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C1 ZINC001173358274 1071185200 /nfs/dbraw/zinc/18/52/00/1071185200.db2.gz PHZZEOFIYCADPW-JYJNAYRXSA-N 1 0 415.604 -0.076 20 0 HBADRO CCN1CC[C@@H]([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C1 ZINC001173358282 1071184959 /nfs/dbraw/zinc/18/49/59/1071184959.db2.gz PHZZEOFIYCADPW-PMPSAXMXSA-N 1 0 415.604 -0.076 20 0 HBADRO COc1ccc(C(=O)N2CCC([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)cc1 ZINC001173404058 1071184914 /nfs/dbraw/zinc/18/49/14/1071184914.db2.gz UXAJPZLHNWASRY-CBUQMUQRSA-N 1 0 424.494 -0.267 20 0 HBADRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173413659 1071184828 /nfs/dbraw/zinc/18/48/28/1071184828.db2.gz KCSCYWOEWAUYRU-HBPKQKSZSA-N 1 0 400.859 -0.666 20 0 HBADRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173413669 1071185188 /nfs/dbraw/zinc/18/51/88/1071185188.db2.gz KCSCYWOEWAUYRU-XSDHEKCYSA-N 1 0 400.859 -0.666 20 0 HBADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173417346 1071185768 /nfs/dbraw/zinc/18/57/68/1071185768.db2.gz QVIPQZGGVDUQIY-UHFFFAOYSA-N 1 0 409.874 -0.748 20 0 HBADRO COC(=O)CCCC[C@@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001173442251 1071185694 /nfs/dbraw/zinc/18/56/94/1071185694.db2.gz MTBGHPMFMKXTIA-OWDTUVHZSA-N 1 0 408.459 -0.261 20 0 HBADRO COC(=O)CCCC[C@H](C)[NH2+][C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O ZINC001173442255 1071185610 /nfs/dbraw/zinc/18/56/10/1071185610.db2.gz MTBGHPMFMKXTIA-PBRPVXPMSA-N 1 0 408.459 -0.261 20 0 HBADRO COC(=O)CCCC[C@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001173443371 1071185784 /nfs/dbraw/zinc/18/57/84/1071185784.db2.gz WTXNIUGWKHPFHA-FJIUSIIDSA-N 1 0 424.458 -0.953 20 0 HBADRO COC(=O)CCCC[C@@H](C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001173443372 1071185730 /nfs/dbraw/zinc/18/57/30/1071185730.db2.gz WTXNIUGWKHPFHA-RUEZXQRGSA-N 1 0 424.458 -0.953 20 0 HBADRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001173447987 1071185673 /nfs/dbraw/zinc/18/56/73/1071185673.db2.gz IDZNHADLCYXXMM-COXVUDFISA-N 1 0 409.483 -0.023 20 0 HBADRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001173447988 1071185778 /nfs/dbraw/zinc/18/57/78/1071185778.db2.gz IDZNHADLCYXXMM-JQFCIGGWSA-N 1 0 409.483 -0.023 20 0 HBADRO COC(=O)CCCC[C@@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001173450314 1071185644 /nfs/dbraw/zinc/18/56/44/1071185644.db2.gz YVMFNVYOPMNCGS-OWDTUVHZSA-N 1 0 408.459 -0.261 20 0 HBADRO COC(=O)CCCC[C@H](C)[NH2+][C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO ZINC001173450318 1071185701 /nfs/dbraw/zinc/18/57/01/1071185701.db2.gz YVMFNVYOPMNCGS-PBRPVXPMSA-N 1 0 408.459 -0.261 20 0 HBADRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173511664 1071186509 /nfs/dbraw/zinc/18/65/09/1071186509.db2.gz XAAZAEOEUAGWHG-DARAHFNDSA-N 1 0 404.467 -0.199 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173511665 1071186603 /nfs/dbraw/zinc/18/66/03/1071186603.db2.gz XAAZAEOEUAGWHG-SDADXPQNSA-N 1 0 404.467 -0.199 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173511666 1071186699 /nfs/dbraw/zinc/18/66/99/1071186699.db2.gz XAAZAEOEUAGWHG-UGQVUOCMSA-N 1 0 404.467 -0.199 20 0 HBADRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173511667 1071186576 /nfs/dbraw/zinc/18/65/76/1071186576.db2.gz XAAZAEOEUAGWHG-WMHQRMGPSA-N 1 0 404.467 -0.199 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)C[C@@H]1C(=O)OC ZINC001173563460 1071187468 /nfs/dbraw/zinc/18/74/68/1071187468.db2.gz DKNIDCXLBYDSJW-BXBLUMELSA-N 1 0 401.456 -0.013 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)C[C@@H]1C(=O)OC ZINC001173563471 1071187166 /nfs/dbraw/zinc/18/71/66/1071187166.db2.gz DKNIDCXLBYDSJW-OOXASRHHSA-N 1 0 401.456 -0.013 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)C[C@@H]1C(=O)OC ZINC001173567033 1071187389 /nfs/dbraw/zinc/18/73/89/1071187389.db2.gz UFXLNDOGAGSXMB-FZKCQIBNSA-N 1 0 422.482 -0.085 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)C[C@@H]1C(=O)OC ZINC001173567034 1071187376 /nfs/dbraw/zinc/18/73/76/1071187376.db2.gz UFXLNDOGAGSXMB-JONQDZQNSA-N 1 0 422.482 -0.085 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)C[C@@H]1C(=O)OC ZINC001173567035 1071187189 /nfs/dbraw/zinc/18/71/89/1071187189.db2.gz UFXLNDOGAGSXMB-LVQVYYBASA-N 1 0 422.482 -0.085 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)C[C@@H]1C(=O)OC ZINC001173567036 1071187332 /nfs/dbraw/zinc/18/73/32/1071187332.db2.gz UFXLNDOGAGSXMB-QKPAOTATSA-N 1 0 422.482 -0.085 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173568971 1071187342 /nfs/dbraw/zinc/18/73/42/1071187342.db2.gz CDVBYMWDONJBDT-DWBZUHSKSA-N 1 0 419.478 -0.082 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173568975 1071187140 /nfs/dbraw/zinc/18/71/40/1071187140.db2.gz CDVBYMWDONJBDT-RKOFLFEYSA-N 1 0 419.478 -0.082 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173571644 1071187237 /nfs/dbraw/zinc/18/72/37/1071187237.db2.gz NELMIOXGDJVYRY-HNKHHVNMSA-N 1 0 421.450 -0.765 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173571661 1071187308 /nfs/dbraw/zinc/18/73/08/1071187308.db2.gz NELMIOXGDJVYRY-UKMLZYKCSA-N 1 0 421.450 -0.765 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173572148 1071187216 /nfs/dbraw/zinc/18/72/16/1071187216.db2.gz PSZACYOAVQWOQV-FZKCQIBNSA-N 1 0 405.451 -0.470 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173572167 1071187280 /nfs/dbraw/zinc/18/72/80/1071187280.db2.gz PSZACYOAVQWOQV-JONQDZQNSA-N 1 0 405.451 -0.470 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173572547 1071188143 /nfs/dbraw/zinc/18/81/43/1071188143.db2.gz LZLHQEWVGHGLEU-HNKHHVNMSA-N 1 0 421.450 -0.765 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173572548 1071188418 /nfs/dbraw/zinc/18/84/18/1071188418.db2.gz LZLHQEWVGHGLEU-UKMLZYKCSA-N 1 0 421.450 -0.765 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173572557 1071188330 /nfs/dbraw/zinc/18/83/30/1071188330.db2.gz DCOULWARBVQCSD-CNDDSTCGSA-N 1 0 415.468 -0.177 20 0 HBADRO COC(=O)[C@@H]1C[C@H](N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173572566 1071188202 /nfs/dbraw/zinc/18/82/02/1071188202.db2.gz DCOULWARBVQCSD-ZSBIGDGJSA-N 1 0 415.468 -0.177 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572693 1071188405 /nfs/dbraw/zinc/18/84/05/1071188405.db2.gz SMFLFQWGYYNOMU-FZKCQIBNSA-N 1 0 405.451 -0.470 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572694 1071188374 /nfs/dbraw/zinc/18/83/74/1071188374.db2.gz SMFLFQWGYYNOMU-JONQDZQNSA-N 1 0 405.451 -0.470 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)C[C@@H]1C(=O)OC ZINC001173573309 1071188235 /nfs/dbraw/zinc/18/82/35/1071188235.db2.gz BNVHYQPYWBWZAZ-FNEMGZNUSA-N 1 0 418.450 -0.354 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)C[C@@H]1C(=O)OC ZINC001173573315 1071188428 /nfs/dbraw/zinc/18/84/28/1071188428.db2.gz BNVHYQPYWBWZAZ-WLPMHYBASA-N 1 0 418.450 -0.354 20 0 HBADRO CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573639 1071187113 /nfs/dbraw/zinc/18/71/13/1071187113.db2.gz DDVJZWUUROZSAU-CJXDPKRBSA-N 1 0 409.483 -0.070 20 0 HBADRO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573645 1071187427 /nfs/dbraw/zinc/18/74/27/1071187427.db2.gz DDVJZWUUROZSAU-GXNBUGAJSA-N 1 0 409.483 -0.070 20 0 HBADRO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573963 1071187255 /nfs/dbraw/zinc/18/72/55/1071187255.db2.gz DDVJZWUUROZSAU-IGMJJTELSA-N 1 0 409.483 -0.070 20 0 HBADRO CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573964 1071187357 /nfs/dbraw/zinc/18/73/57/1071187357.db2.gz DDVJZWUUROZSAU-YYQBIWNASA-N 1 0 409.483 -0.070 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)C[C@@H]1C(=O)OC ZINC001173575412 1071188291 /nfs/dbraw/zinc/18/82/91/1071188291.db2.gz KVUAXSNXQREMDE-RNGXCGTMSA-N 1 0 410.467 -0.182 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)C[C@@H]1C(=O)OC ZINC001173575421 1071188385 /nfs/dbraw/zinc/18/83/85/1071188385.db2.gz KVUAXSNXQREMDE-XJTKPRQNSA-N 1 0 410.467 -0.182 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173576030 1071188397 /nfs/dbraw/zinc/18/83/97/1071188397.db2.gz HINCCMZMYMSLNE-DGADGQDISA-N 1 0 417.528 -0.213 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173576058 1071188274 /nfs/dbraw/zinc/18/82/74/1071188274.db2.gz HINCCMZMYMSLNE-JKJDWNRSSA-N 1 0 417.528 -0.213 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173576260 1071188343 /nfs/dbraw/zinc/18/83/43/1071188343.db2.gz NASFUQGBVMDFGY-AYYATWNNSA-N 1 0 418.512 -0.244 20 0 HBADRO COC(=O)[C@@H]1C[C@H](N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173576262 1071188392 /nfs/dbraw/zinc/18/83/92/1071188392.db2.gz NASFUQGBVMDFGY-KLOLGFOXSA-N 1 0 418.512 -0.244 20 0 HBADRO COC(=O)[C@@H]1C[C@H](n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001173578549 1071189022 /nfs/dbraw/zinc/18/90/22/1071189022.db2.gz VOOSXIHQNLAXOG-CLLJXQQHSA-N 1 0 406.439 -0.128 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001173578552 1071188952 /nfs/dbraw/zinc/18/89/52/1071188952.db2.gz VOOSXIHQNLAXOG-XYYAHUGASA-N 1 0 406.439 -0.128 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173578652 1071188745 /nfs/dbraw/zinc/18/87/45/1071188745.db2.gz XINKPCATZCOKFI-MCEUPANISA-N 1 0 424.494 -0.077 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173578655 1071188846 /nfs/dbraw/zinc/18/88/46/1071188846.db2.gz XINKPCATZCOKFI-ZCVDQKGDSA-N 1 0 424.494 -0.077 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)C[C@@H]1C(=O)OC ZINC001173579043 1071188959 /nfs/dbraw/zinc/18/89/59/1071188959.db2.gz XPDHQXUGTKAIFG-CYLBJCKXSA-N 1 0 412.483 -0.220 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)C[C@@H]1C(=O)OC ZINC001173579044 1071188940 /nfs/dbraw/zinc/18/89/40/1071188940.db2.gz XPDHQXUGTKAIFG-XNXCIOHSSA-N 1 0 412.483 -0.220 20 0 HBADRO COCCN1CCO[C@H]2C[N@@H+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@H]2C1=O ZINC001173579378 1071188976 /nfs/dbraw/zinc/18/89/76/1071188976.db2.gz OQOPDMPVALPGJN-MTSZKFMLSA-N 1 0 412.483 -0.077 20 0 HBADRO COCCN1CCO[C@H]2C[N@@H+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@H]2C1=O ZINC001173579379 1071189060 /nfs/dbraw/zinc/18/90/60/1071189060.db2.gz OQOPDMPVALPGJN-UUAJXVIYSA-N 1 0 412.483 -0.077 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)C[C@@H]1C(=O)OC ZINC001173589912 1071189950 /nfs/dbraw/zinc/18/99/50/1071189950.db2.gz PLCSWWLJZZPGQU-FZKCQIBNSA-N 1 0 409.483 -0.404 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)C[C@@H]1C(=O)OC ZINC001173589913 1071189849 /nfs/dbraw/zinc/18/98/49/1071189849.db2.gz PLCSWWLJZZPGQU-JONQDZQNSA-N 1 0 409.483 -0.404 20 0 HBADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)C[C@@H]1C(=O)OC ZINC001173589914 1071189746 /nfs/dbraw/zinc/18/97/46/1071189746.db2.gz PLCSWWLJZZPGQU-LVQVYYBASA-N 1 0 409.483 -0.404 20 0 HBADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)C[C@@H]1C(=O)OC ZINC001173589915 1071189970 /nfs/dbraw/zinc/18/99/70/1071189970.db2.gz PLCSWWLJZZPGQU-QKPAOTATSA-N 1 0 409.483 -0.404 20 0 HBADRO CCOC(=O)[C@@H]1CC12CCC([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)CC2 ZINC001173605269 1071189875 /nfs/dbraw/zinc/18/98/75/1071189875.db2.gz ASRHREOQSHTGRC-FEDUSRTKSA-N 1 0 408.499 -0.320 20 0 HBADRO CCOC(=O)[C@H]1CC12CCC([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)CC2 ZINC001173605270 1071190507 /nfs/dbraw/zinc/19/05/07/1071190507.db2.gz ASRHREOQSHTGRC-LTWWHTJUSA-N 1 0 408.499 -0.320 20 0 HBADRO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)CC2 ZINC001173607243 1071190583 /nfs/dbraw/zinc/19/05/83/1071190583.db2.gz VWCLYJHPESSDLD-BERAAUHOSA-N 1 0 423.466 -0.330 20 0 HBADRO CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)CC2 ZINC001173607256 1071190433 /nfs/dbraw/zinc/19/04/33/1071190433.db2.gz VWCLYJHPESSDLD-RUUGCIKXSA-N 1 0 423.466 -0.330 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001173626176 1071190546 /nfs/dbraw/zinc/19/05/46/1071190546.db2.gz HIYDLPVRCWSEPY-HEJUXAKVSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001173626180 1071190719 /nfs/dbraw/zinc/19/07/19/1071190719.db2.gz HIYDLPVRCWSEPY-LZXPKQQXSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001173626182 1071190488 /nfs/dbraw/zinc/19/04/88/1071190488.db2.gz HIYDLPVRCWSEPY-OSIJRIFCSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001173626185 1071190539 /nfs/dbraw/zinc/19/05/39/1071190539.db2.gz HIYDLPVRCWSEPY-PMBRYKIQSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001173635596 1071190669 /nfs/dbraw/zinc/19/06/69/1071190669.db2.gz BGXGBPCTYLELKQ-FZCLSBEQSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001173635597 1071190457 /nfs/dbraw/zinc/19/04/57/1071190457.db2.gz BGXGBPCTYLELKQ-LAQRGFTBSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001173646724 1071190727 /nfs/dbraw/zinc/19/07/27/1071190727.db2.gz BGXGBPCTYLELKQ-LMSBXDPUSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001173646725 1071190552 /nfs/dbraw/zinc/19/05/52/1071190552.db2.gz BGXGBPCTYLELKQ-MVJTYMMSSA-N 1 0 421.494 -0.023 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001173653810 1071190596 /nfs/dbraw/zinc/19/05/96/1071190596.db2.gz YQDKUNIKKUOAGU-HEJUXAKVSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001173653811 1071190514 /nfs/dbraw/zinc/19/05/14/1071190514.db2.gz YQDKUNIKKUOAGU-LZXPKQQXSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001173653812 1071190573 /nfs/dbraw/zinc/19/05/73/1071190573.db2.gz YQDKUNIKKUOAGU-OSIJRIFCSA-N 1 0 420.470 -0.261 20 0 HBADRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001173653813 1071190708 /nfs/dbraw/zinc/19/07/08/1071190708.db2.gz YQDKUNIKKUOAGU-PMBRYKIQSA-N 1 0 420.470 -0.261 20 0 HBADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+]C2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 ZINC001173661166 1071190642 /nfs/dbraw/zinc/19/06/42/1071190642.db2.gz MSTDXILYWMFTSQ-FMKGYKFTSA-N 1 0 408.377 -0.816 20 0 HBADRO COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001173717087 1071191345 /nfs/dbraw/zinc/19/13/45/1071191345.db2.gz LMPZBLDAAKYKIQ-NQTWQHAWSA-N 1 0 419.434 -0.425 20 0 HBADRO COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001173717088 1071191449 /nfs/dbraw/zinc/19/14/49/1071191449.db2.gz LMPZBLDAAKYKIQ-UKLXLRDVSA-N 1 0 419.434 -0.425 20 0 HBADRO COC(=O)c1ccc(C[C@H](C)[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001173723010 1071191436 /nfs/dbraw/zinc/19/14/36/1071191436.db2.gz UFJKRLLIXBGIQU-BBRMVZONSA-N 1 0 404.467 -0.414 20 0 HBADRO COC(=O)c1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001173723011 1071191372 /nfs/dbraw/zinc/19/13/72/1071191372.db2.gz UFJKRLLIXBGIQU-CJNGLKHVSA-N 1 0 404.467 -0.414 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1)NC(=O)CNC(C)=O ZINC001173743870 1071191396 /nfs/dbraw/zinc/19/13/96/1071191396.db2.gz FCDQRUUFMIZMDT-JYJNAYRXSA-N 1 0 409.491 -0.289 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)CNC(C)=O ZINC001173743877 1071191421 /nfs/dbraw/zinc/19/14/21/1071191421.db2.gz FCDQRUUFMIZMDT-OAGGEKHMSA-N 1 0 409.491 -0.289 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)NC(=O)CNC(C)=O ZINC001173743879 1071192121 /nfs/dbraw/zinc/19/21/21/1071192121.db2.gz FCDQRUUFMIZMDT-PMPSAXMXSA-N 1 0 409.491 -0.289 20 0 HBADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)CNC(C)=O ZINC001173743881 1071192283 /nfs/dbraw/zinc/19/22/83/1071192283.db2.gz FCDQRUUFMIZMDT-XHSDSOJGSA-N 1 0 409.491 -0.289 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744721 1071192182 /nfs/dbraw/zinc/19/21/82/1071192182.db2.gz HAOUIVFOXVWLPC-SDADXPQNSA-N 1 0 401.475 -0.428 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744741 1071192358 /nfs/dbraw/zinc/19/23/58/1071192358.db2.gz HAOUIVFOXVWLPC-VDERGJSUSA-N 1 0 401.475 -0.428 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744746 1071192293 /nfs/dbraw/zinc/19/22/93/1071192293.db2.gz HAOUIVFOXVWLPC-VRKREXBASA-N 1 0 401.475 -0.428 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744752 1071192377 /nfs/dbraw/zinc/19/23/77/1071192377.db2.gz HAOUIVFOXVWLPC-XRGAULLZSA-N 1 0 401.475 -0.428 20 0 HBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750829 1071192229 /nfs/dbraw/zinc/19/22/29/1071192229.db2.gz NYBGEDHVRLOEJC-NCOADZHNSA-N 1 0 401.471 -0.680 20 0 HBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750833 1071192332 /nfs/dbraw/zinc/19/23/32/1071192332.db2.gz NYBGEDHVRLOEJC-QAETUUGQSA-N 1 0 401.471 -0.680 20 0 HBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750834 1071192344 /nfs/dbraw/zinc/19/23/44/1071192344.db2.gz NYBGEDHVRLOEJC-QZWWFDLISA-N 1 0 401.471 -0.680 20 0 HBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750838 1071192151 /nfs/dbraw/zinc/19/21/51/1071192151.db2.gz NYBGEDHVRLOEJC-YVSFHVDLSA-N 1 0 401.471 -0.680 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CCC2 ZINC001173751595 1071192094 /nfs/dbraw/zinc/19/20/94/1071192094.db2.gz IXTVAFWFSGBKRI-CVEARBPZSA-N 1 0 416.486 -0.118 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CCC2 ZINC001173751598 1071192129 /nfs/dbraw/zinc/19/21/29/1071192129.db2.gz IXTVAFWFSGBKRI-HOTGVXAUSA-N 1 0 416.486 -0.118 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CCC2 ZINC001173751600 1071192254 /nfs/dbraw/zinc/19/22/54/1071192254.db2.gz IXTVAFWFSGBKRI-HZPDHXFCSA-N 1 0 416.486 -0.118 20 0 HBADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CCC2 ZINC001173751603 1071192311 /nfs/dbraw/zinc/19/23/11/1071192311.db2.gz IXTVAFWFSGBKRI-JKSUJKDBSA-N 1 0 416.486 -0.118 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173753168 1071192246 /nfs/dbraw/zinc/19/22/46/1071192246.db2.gz UFOIVVKFYZWPTH-FSDCSDTHSA-N 1 0 417.470 -0.974 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173753171 1071192276 /nfs/dbraw/zinc/19/22/76/1071192276.db2.gz UFOIVVKFYZWPTH-JHNDHUHGSA-N 1 0 417.470 -0.974 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173753173 1071192146 /nfs/dbraw/zinc/19/21/46/1071192146.db2.gz UFOIVVKFYZWPTH-OHFALNGGSA-N 1 0 417.470 -0.974 20 0 HBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173753174 1071192077 /nfs/dbraw/zinc/19/20/77/1071192077.db2.gz UFOIVVKFYZWPTH-OTRWWLKZSA-N 1 0 417.470 -0.974 20 0 HBADRO O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173771660 1071193070 /nfs/dbraw/zinc/19/30/70/1071193070.db2.gz SUGHARVNZOAFMC-HBPKQKSZSA-N 1 0 418.849 -0.527 20 0 HBADRO O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173771670 1071193035 /nfs/dbraw/zinc/19/30/35/1071193035.db2.gz SUGHARVNZOAFMC-XSDHEKCYSA-N 1 0 418.849 -0.527 20 0 HBADRO CC(=O)Oc1ccc(C2CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC2)cc1 ZINC001173792990 1071192807 /nfs/dbraw/zinc/19/28/07/1071192807.db2.gz MYEIAKKKTLGVTD-UHFFFAOYSA-N 1 0 404.467 -0.055 20 0 HBADRO OC[C@H]1O[C@@H](n2c(Br)nc3c2ncnc3Nc2cc[nH+]cc2)[C@H](O)[C@@H]1O ZINC001173882124 1071192784 /nfs/dbraw/zinc/19/27/84/1071192784.db2.gz SQQUFXFNMQHMNO-IDTAVKCVSA-N 1 0 423.227 -0.239 20 0 HBADRO Nc1cn(-c2cnn(CCN3CCOCC3)c2)ccc1=[NH+]CCN1CCOCC1 ZINC001174490000 1071195731 /nfs/dbraw/zinc/19/57/31/1071195731.db2.gz JNSXWWRECNGVPA-UHFFFAOYSA-N 1 0 401.515 -0.179 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)CC1 ZINC001174615458 1071196522 /nfs/dbraw/zinc/19/65/22/1071196522.db2.gz UCSRDXBNDNUHAC-CYBMUJFWSA-N 1 0 407.475 -0.297 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)CC1 ZINC001174615465 1071196418 /nfs/dbraw/zinc/19/64/18/1071196418.db2.gz UCSRDXBNDNUHAC-ZDUSSCGKSA-N 1 0 407.475 -0.297 20 0 HBADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]21 ZINC001174641491 1071196592 /nfs/dbraw/zinc/19/65/92/1071196592.db2.gz JHWVMLXGELOFTG-XHSDSOJGSA-N 1 0 409.512 -0.741 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)cc2)CC1 ZINC001174735733 1071199183 /nfs/dbraw/zinc/19/91/83/1071199183.db2.gz AEICTYJPVDUPDB-UHFFFAOYSA-N 1 0 408.524 -0.404 20 0 HBADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001174861815 1071199834 /nfs/dbraw/zinc/19/98/34/1071199834.db2.gz KKYCUEDPSZAEAV-BRWVUGGUSA-N 1 0 405.499 -0.519 20 0 HBADRO Cn1nc2c(c1C(=O)NCCN(CC[NH3+])N(O)N=O)CN(C(=O)OC(C)(C)C)C2 ZINC001174930481 1071199907 /nfs/dbraw/zinc/19/99/07/1071199907.db2.gz MBZMKQVDDYPPOO-UHFFFAOYSA-N 1 0 412.451 -0.051 20 0 HBADRO [NH3+]CCN(CCNC(=O)c1nc2c(Br)cc(F)cn2n1)N(O)N=O ZINC001175024658 1071201514 /nfs/dbraw/zinc/20/15/14/1071201514.db2.gz RWCCIYCRPTVABX-UHFFFAOYSA-N 1 0 405.188 -0.091 20 0 HBADRO CN1CCCn2nc(C(=O)N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)cc2C1 ZINC001175066022 1071201667 /nfs/dbraw/zinc/20/16/67/1071201667.db2.gz SFFXVIXXUWQWRJ-UHFFFAOYSA-N 1 0 408.484 -0.046 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001175119520 1071202129 /nfs/dbraw/zinc/20/21/29/1071202129.db2.gz RPTMQGIHOKDOSG-GOSISDBHSA-N 1 0 412.512 -0.162 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001175119521 1071202197 /nfs/dbraw/zinc/20/21/97/1071202197.db2.gz RPTMQGIHOKDOSG-SFHVURJKSA-N 1 0 412.512 -0.162 20 0 HBADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001175128001 1071202802 /nfs/dbraw/zinc/20/28/02/1071202802.db2.gz KDRXNFSCDWFXOM-IBGZPJMESA-N 1 0 411.524 -0.029 20 0 HBADRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001175128002 1071202851 /nfs/dbraw/zinc/20/28/51/1071202851.db2.gz KDRXNFSCDWFXOM-LJQANCHMSA-N 1 0 411.524 -0.029 20 0 HBADRO CC(=O)N[C@@](C)(C(=O)N1CC[C@](O)(C[NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001175128017 1071202931 /nfs/dbraw/zinc/20/29/31/1071202931.db2.gz KQZUIZBKPPIHPU-MOPGFXCFSA-N 1 0 411.524 -0.034 20 0 HBADRO CC(=O)N[C@](C)(C(=O)N1CC[C@](O)(C[NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001175128018 1071202832 /nfs/dbraw/zinc/20/28/32/1071202832.db2.gz KQZUIZBKPPIHPU-OALUTQOASA-N 1 0 411.524 -0.034 20 0 HBADRO CC(=O)N[C@](C)(C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001175128019 1071202877 /nfs/dbraw/zinc/20/28/77/1071202877.db2.gz KQZUIZBKPPIHPU-RBUKOAKNSA-N 1 0 411.524 -0.034 20 0 HBADRO CC(=O)N[C@@](C)(C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001175128021 1071202873 /nfs/dbraw/zinc/20/28/73/1071202873.db2.gz KQZUIZBKPPIHPU-RTBURBONSA-N 1 0 411.524 -0.034 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cn1C ZINC001175177909 1071203755 /nfs/dbraw/zinc/20/37/55/1071203755.db2.gz BHWNSOVICXTKGO-CVEARBPZSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cn1C ZINC001175177928 1071203758 /nfs/dbraw/zinc/20/37/58/1071203758.db2.gz BHWNSOVICXTKGO-HOTGVXAUSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cn1C ZINC001175177930 1071203628 /nfs/dbraw/zinc/20/36/28/1071203628.db2.gz BHWNSOVICXTKGO-HZPDHXFCSA-N 1 0 413.544 -0.109 20 0 HBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cn1C ZINC001175177933 1071203511 /nfs/dbraw/zinc/20/35/11/1071203511.db2.gz BHWNSOVICXTKGO-JKSUJKDBSA-N 1 0 413.544 -0.109 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CCNC(=O)c1ccc[nH]1)CC2 ZINC001175530016 1071209318 /nfs/dbraw/zinc/20/93/18/1071209318.db2.gz HGZHQIQNPMUCMV-UHFFFAOYSA-N 1 0 418.542 -0.169 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCNC(=O)c1ccc[nH]1)CC2 ZINC001175530645 1071209401 /nfs/dbraw/zinc/20/94/01/1071209401.db2.gz JWIZWWPPZSRVHX-UHFFFAOYSA-N 1 0 402.455 -0.001 20 0 HBADRO NC(=O)C1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCS(=O)(=O)CC1 ZINC001175542132 1071210145 /nfs/dbraw/zinc/21/01/45/1071210145.db2.gz JLVUBNRLURMHRQ-UHFFFAOYSA-N 1 0 422.551 -0.079 20 0 HBADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001175543044 1071210059 /nfs/dbraw/zinc/21/00/59/1071210059.db2.gz SRWYWPOMYHOIPY-GFCCVEGCSA-N 1 0 402.469 -0.534 20 0 HBADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001175543050 1071210106 /nfs/dbraw/zinc/21/01/06/1071210106.db2.gz SRWYWPOMYHOIPY-LBPRGKRZSA-N 1 0 402.469 -0.534 20 0 HBADRO O=C(Cc1cc[nH]n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001175723981 1071213208 /nfs/dbraw/zinc/21/32/08/1071213208.db2.gz VFMKACGTOZSAAK-LSDHHAIUSA-N 1 0 402.480 -0.216 20 0 HBADRO Cn1c2[nH]c(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)nc2c(=O)n(C)c1=O ZINC001175757346 1071213925 /nfs/dbraw/zinc/21/39/25/1071213925.db2.gz BIKYHQNXYJKJPX-UHFFFAOYSA-N 1 0 403.487 -0.734 20 0 HBADRO C[NH+](C)CCNC(=O)c1ccc(-n2c(N)c3ncn(COCCO)c3nc2=N)cc1 ZINC001175808639 1071214493 /nfs/dbraw/zinc/21/44/93/1071214493.db2.gz ZQQQXRBIOPFVQV-UHFFFAOYSA-N 1 0 414.470 -0.459 20 0 HBADRO C[N@H+](CCNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)CCOCCO ZINC001175821384 1071214635 /nfs/dbraw/zinc/21/46/35/1071214635.db2.gz BBORMHREYJMDSC-DNVCBOLYSA-N 1 0 401.504 -0.073 20 0 HBADRO CC(C)N(CCCNC(=O)C[NH+]1CCC(Cc2nn[nH]n2)CC1)S(C)(=O)=O ZINC001175845281 1071214700 /nfs/dbraw/zinc/21/47/00/1071214700.db2.gz MKAQWWOPAVUUMI-UHFFFAOYSA-N 1 0 401.537 -0.370 20 0 HBADRO Cn1nnnc1C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001175898213 1071214622 /nfs/dbraw/zinc/21/46/22/1071214622.db2.gz JSLIWGIUXSISQF-UHFFFAOYSA-N 1 0 421.527 -0.214 20 0 HBADRO CN(CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ncnc2nc[nH]c21 ZINC001175933593 1071215508 /nfs/dbraw/zinc/21/55/08/1071215508.db2.gz RLRBZAAUFYJKPV-HNNXBMFYSA-N 1 0 402.503 -0.298 20 0 HBADRO CN(CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ncnc2nc[nH]c21 ZINC001175933612 1071215473 /nfs/dbraw/zinc/21/54/73/1071215473.db2.gz RLRBZAAUFYJKPV-OAHLLOKOSA-N 1 0 402.503 -0.298 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001175934238 1071215454 /nfs/dbraw/zinc/21/54/54/1071215454.db2.gz WXRPGBVUDFYMSQ-INIZCTEOSA-N 1 0 411.528 -0.484 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001175934244 1071215538 /nfs/dbraw/zinc/21/55/38/1071215538.db2.gz WXRPGBVUDFYMSQ-MRXNPFEDSA-N 1 0 411.528 -0.484 20 0 HBADRO O=C(COCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)NCc1cccnc1 ZINC001175934605 1071215390 /nfs/dbraw/zinc/21/53/90/1071215390.db2.gz YDFNENRWLVTGKO-IBGZPJMESA-N 1 0 419.526 -0.373 20 0 HBADRO O=C(COCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)NCc1cccnc1 ZINC001175934607 1071215530 /nfs/dbraw/zinc/21/55/30/1071215530.db2.gz YDFNENRWLVTGKO-LJQANCHMSA-N 1 0 419.526 -0.373 20 0 HBADRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccc(C[NH3+])cc2)[C@H](O)[C@@H]1O ZINC001175966092 1071215299 /nfs/dbraw/zinc/21/52/99/1071215299.db2.gz KVBFJCZRWKDMBE-QCUYGVNKSA-N 1 0 413.438 -0.216 20 0 HBADRO O=C(C[NH+]1CCC(CO)(CO)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001175982261 1071216059 /nfs/dbraw/zinc/21/60/59/1071216059.db2.gz DCAJHFMBWAQWIP-UHFFFAOYSA-N 1 0 411.524 -0.414 20 0 HBADRO Cc1cc(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C)[nH+]1 ZINC001176051276 1071216788 /nfs/dbraw/zinc/21/67/88/1071216788.db2.gz DFHNHURTOGEIRF-XNIJJKJLSA-N 1 0 404.452 -0.096 20 0 HBADRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2cc(C)[nH+]c(C)c2)[C@H](O)[C@@H]1O ZINC001176053982 1071216695 /nfs/dbraw/zinc/21/66/95/1071216695.db2.gz OQOBEUQXEFJJMF-QCUYGVNKSA-N 1 0 413.438 -0.241 20 0 HBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2nc3ncc(CCO)cn3n2)CC1 ZINC001176095251 1071216652 /nfs/dbraw/zinc/21/66/52/1071216652.db2.gz DFEUVGGIOPKQTE-UHFFFAOYSA-N 1 0 401.471 -0.395 20 0 HBADRO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176194405 1071218116 /nfs/dbraw/zinc/21/81/16/1071218116.db2.gz FBYLMSKOUBGTCZ-WVSUBDOOSA-N 1 0 417.466 -0.067 20 0 HBADRO C[NH+](C)CCOc1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001176224200 1071218971 /nfs/dbraw/zinc/21/89/71/1071218971.db2.gz UIUXGEHUUQBIQT-NVQRDWNXSA-N 1 0 421.454 -0.723 20 0 HBADRO O=C(CC[NH+]1CCC(O)(COCCO)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001176271917 1071218794 /nfs/dbraw/zinc/21/87/94/1071218794.db2.gz ADHGUZZOCWOSNU-UHFFFAOYSA-N 1 0 412.487 -0.502 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001176344314 1071219357 /nfs/dbraw/zinc/21/93/57/1071219357.db2.gz BRSPIDVSUIKBAC-GOSISDBHSA-N 1 0 401.471 -0.586 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001176345530 1071219504 /nfs/dbraw/zinc/21/95/04/1071219504.db2.gz PWHQXFXULKEFBO-CYBMUJFWSA-N 1 0 410.456 -0.921 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001176355904 1071221485 /nfs/dbraw/zinc/22/14/85/1071221485.db2.gz IPDYZKSTULCVNJ-DZJNRPSUSA-N 1 0 413.482 -0.095 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001176357109 1071221394 /nfs/dbraw/zinc/22/13/94/1071221394.db2.gz QFJXBCKUFDJNGV-OAHLLOKOSA-N 1 0 417.470 -0.679 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001176358009 1071221681 /nfs/dbraw/zinc/22/16/81/1071221681.db2.gz XIMGHLRNDQIVBM-GOSISDBHSA-N 1 0 414.514 -0.557 20 0 HBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001176384995 1071220716 /nfs/dbraw/zinc/22/07/16/1071220716.db2.gz IPARBTJWCXUNFT-QGZVFWFLSA-N 1 0 420.495 -0.597 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001176413394 1071224925 /nfs/dbraw/zinc/22/49/25/1071224925.db2.gz UELPGGYJTRONPR-PBHICJAKSA-N 1 0 404.533 -0.027 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001176413398 1071224791 /nfs/dbraw/zinc/22/47/91/1071224791.db2.gz UELPGGYJTRONPR-RHSMWYFYSA-N 1 0 404.533 -0.027 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001176413400 1071224756 /nfs/dbraw/zinc/22/47/56/1071224756.db2.gz UELPGGYJTRONPR-WMLDXEAASA-N 1 0 404.533 -0.027 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001176413401 1071224879 /nfs/dbraw/zinc/22/48/79/1071224879.db2.gz UELPGGYJTRONPR-YOEHRIQHSA-N 1 0 404.533 -0.027 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)NCC[NH2+]CCO ZINC001176431979 1071222681 /nfs/dbraw/zinc/22/26/81/1071222681.db2.gz JRVVCLULUAAHAC-CYBMUJFWSA-N 1 0 409.491 -0.730 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)NCC[NH2+]CCO ZINC001176431980 1071222871 /nfs/dbraw/zinc/22/28/71/1071222871.db2.gz JRVVCLULUAAHAC-ZDUSSCGKSA-N 1 0 409.491 -0.730 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)NC1(C[NH3+])COC1 ZINC001176433974 1071223658 /nfs/dbraw/zinc/22/36/58/1071223658.db2.gz RUNGNATUPYVPBB-GFCCVEGCSA-N 1 0 407.475 -0.585 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)NC1(C[NH3+])COC1 ZINC001176433986 1071223455 /nfs/dbraw/zinc/22/34/55/1071223455.db2.gz RUNGNATUPYVPBB-LBPRGKRZSA-N 1 0 407.475 -0.585 20 0 HBADRO C[NH+](C)CCn1cc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1 ZINC001176450823 1071226152 /nfs/dbraw/zinc/22/61/52/1071226152.db2.gz RYFBQMMOXQTVHI-ICBNADEASA-N 1 0 408.455 -0.633 20 0 HBADRO C[NH+](C)CCn1cc(Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cn1 ZINC001176452748 1071226199 /nfs/dbraw/zinc/22/61/99/1071226199.db2.gz RYFBQMMOXQTVHI-GFEQUFNTSA-N 1 0 408.455 -0.633 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@H]2C(=O)NCC[NH2+]CCO ZINC001176470987 1071226257 /nfs/dbraw/zinc/22/62/57/1071226257.db2.gz XUFJSVKPYKIRBD-AWEZNQCLSA-N 1 0 408.503 -0.125 20 0 HBADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nncn1C[C@@H]2C(=O)NCC[NH2+]CCO ZINC001176470989 1071226222 /nfs/dbraw/zinc/22/62/22/1071226222.db2.gz XUFJSVKPYKIRBD-CQSZACIVSA-N 1 0 408.503 -0.125 20 0 HBADRO CCn1nnc2c1[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2 ZINC001176510228 1071227236 /nfs/dbraw/zinc/22/72/36/1071227236.db2.gz QTWDNRLWBWWIBR-LLVKDONJSA-N 1 0 416.504 -0.121 20 0 HBADRO CCn1nnc2c1[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2 ZINC001176510229 1071226897 /nfs/dbraw/zinc/22/68/97/1071226897.db2.gz QTWDNRLWBWWIBR-NSHDSACASA-N 1 0 416.504 -0.121 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)[C@H](C)O)cc1 ZINC001176532586 1071227995 /nfs/dbraw/zinc/22/79/95/1071227995.db2.gz ANVSXFUPSMKQJX-CUSZFKRNSA-N 1 0 411.524 -0.310 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)[C@@H](C)O)cc1 ZINC001176532587 1071227859 /nfs/dbraw/zinc/22/78/59/1071227859.db2.gz ANVSXFUPSMKQJX-HPFXQQBRSA-N 1 0 411.524 -0.310 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)[C@@H](C)O)cc1 ZINC001176532588 1071227956 /nfs/dbraw/zinc/22/79/56/1071227956.db2.gz ANVSXFUPSMKQJX-KYHPRHEASA-N 1 0 411.524 -0.310 20 0 HBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)[C@H](C)O)cc1 ZINC001176532589 1071227706 /nfs/dbraw/zinc/22/77/06/1071227706.db2.gz ANVSXFUPSMKQJX-LISAXSMJSA-N 1 0 411.524 -0.310 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176534297 1071227971 /nfs/dbraw/zinc/22/79/71/1071227971.db2.gz RVWSBQKUOOKAPR-DLBZAZTESA-N 1 0 409.508 -0.011 20 0 HBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC001176534458 1071227833 /nfs/dbraw/zinc/22/78/33/1071227833.db2.gz VEGHUYXLDMEPAY-JKSUJKDBSA-N 1 0 410.496 -0.409 20 0 HBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176534517 1071227892 /nfs/dbraw/zinc/22/78/92/1071227892.db2.gz WYTGQXSJPQIBPK-LSDHHAIUSA-N 1 0 412.512 -0.673 20 0 HBADRO CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001176551723 1071228813 /nfs/dbraw/zinc/22/88/13/1071228813.db2.gz UKJVECOXVYTBAY-GFCCVEGCSA-N 1 0 401.489 -0.003 20 0 HBADRO CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001176551724 1071228769 /nfs/dbraw/zinc/22/87/69/1071228769.db2.gz UKJVECOXVYTBAY-LBPRGKRZSA-N 1 0 401.489 -0.003 20 0 HBADRO Nc1cn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccc1=[NH+]CCN1CCOCC1 ZINC001176622022 1071229442 /nfs/dbraw/zinc/22/94/42/1071229442.db2.gz USBFYOCLLSEULI-CYBMUJFWSA-N 1 0 414.466 -0.050 20 0 HBADRO Nc1cn(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccc1=[NH+]CCN1CCOCC1 ZINC001176622047 1071229544 /nfs/dbraw/zinc/22/95/44/1071229544.db2.gz USBFYOCLLSEULI-ZDUSSCGKSA-N 1 0 414.466 -0.050 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176623160 1071229418 /nfs/dbraw/zinc/22/94/18/1071229418.db2.gz UUEDBTLUEFLSDU-SECBINFHSA-N 1 0 423.451 -0.385 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176623162 1071229529 /nfs/dbraw/zinc/22/95/29/1071229529.db2.gz UUEDBTLUEFLSDU-VIFPVBQESA-N 1 0 423.451 -0.385 20 0 HBADRO CC(C)N(CCCNC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)S(C)(=O)=O ZINC001176717320 1071231918 /nfs/dbraw/zinc/23/19/18/1071231918.db2.gz GIEZQSIIXFEBHG-HNNXBMFYSA-N 1 0 418.560 -0.874 20 0 HBADRO CC(C)N(CCCNC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)S(C)(=O)=O ZINC001176717321 1071232190 /nfs/dbraw/zinc/23/21/90/1071232190.db2.gz GIEZQSIIXFEBHG-OAHLLOKOSA-N 1 0 418.560 -0.874 20 0 HBADRO Cn1cnc2c1[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)N(C(=O)c1ccccc1)CC2 ZINC001176731644 1071231430 /nfs/dbraw/zinc/23/14/30/1071231430.db2.gz ALYPPCNDXQSFMJ-INIZCTEOSA-N 1 0 405.480 -0.093 20 0 HBADRO Cn1cnc2c1[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)N(C(=O)c1ccccc1)CC2 ZINC001176731656 1071231407 /nfs/dbraw/zinc/23/14/07/1071231407.db2.gz ALYPPCNDXQSFMJ-MRXNPFEDSA-N 1 0 405.480 -0.093 20 0 HBADRO CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001176738926 1071231372 /nfs/dbraw/zinc/23/13/72/1071231372.db2.gz VDPPEEWTPAQJEE-CYBMUJFWSA-N 1 0 412.451 -0.161 20 0 HBADRO CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001176738930 1071231561 /nfs/dbraw/zinc/23/15/61/1071231561.db2.gz VDPPEEWTPAQJEE-ZDUSSCGKSA-N 1 0 412.451 -0.161 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)n1cnc(C[NH3+])cc1=N)Cn1ccnc12 ZINC001176770584 1071236118 /nfs/dbraw/zinc/23/61/18/1071236118.db2.gz ASKFMDMWCABUFB-AWEZNQCLSA-N 1 0 414.470 -0.270 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)n1cnc(C[NH3+])cc1=N)Cn1ccnc12 ZINC001176770585 1071236216 /nfs/dbraw/zinc/23/62/16/1071236216.db2.gz ASKFMDMWCABUFB-CQSZACIVSA-N 1 0 414.470 -0.270 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC(=N)SCC[NH3+])Cn1ccnc12 ZINC001176772578 1071237331 /nfs/dbraw/zinc/23/73/31/1071237331.db2.gz QSVFJSGXFCSBTL-GFCCVEGCSA-N 1 0 409.516 -0.003 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC(=N)SCC[NH3+])Cn1ccnc12 ZINC001176772579 1071237159 /nfs/dbraw/zinc/23/71/59/1071237159.db2.gz QSVFJSGXFCSBTL-LBPRGKRZSA-N 1 0 409.516 -0.003 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)n1cc(C[NH3+])cnc1=N)Cn1ccnc12 ZINC001176776665 1071232087 /nfs/dbraw/zinc/23/20/87/1071232087.db2.gz CHIHGPVPHPEFSJ-AWEZNQCLSA-N 1 0 414.470 -0.270 20 0 HBADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)n1cc(C[NH3+])cnc1=N)Cn1ccnc12 ZINC001176776666 1071232266 /nfs/dbraw/zinc/23/22/66/1071232266.db2.gz CHIHGPVPHPEFSJ-CQSZACIVSA-N 1 0 414.470 -0.270 20 0 HBADRO O=C(Cc1cnc[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001176829344 1071240501 /nfs/dbraw/zinc/24/05/01/1071240501.db2.gz PRDGSXOOKKAOBX-LSDHHAIUSA-N 1 0 402.480 -0.216 20 0 HBADRO COC(=O)[C@@]1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1S(C)(=O)=O ZINC001176830791 1071240550 /nfs/dbraw/zinc/24/05/50/1071240550.db2.gz XTFZVFHDDRRJCE-ZUBZBLCWSA-N 1 0 402.513 -0.030 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001176863344 1071241269 /nfs/dbraw/zinc/24/12/69/1071241269.db2.gz VYVRBPDGHQOQSS-UHFFFAOYSA-N 1 0 417.451 -0.173 20 0 HBADRO Cc1nc(C)n(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n1 ZINC001176907800 1071243564 /nfs/dbraw/zinc/24/35/64/1071243564.db2.gz ILVGIVKYEKMWFE-UHFFFAOYSA-N 1 0 422.471 -0.327 20 0 HBADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN1CCN(c3ncccn3)CC1)CC2 ZINC001176975216 1071244324 /nfs/dbraw/zinc/24/43/24/1071244324.db2.gz KCPNWTNLNVYQNS-UHFFFAOYSA-N 1 0 415.542 -0.198 20 0 HBADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CCN(c4ncccn4)CC3)CC[C@@H]2C1 ZINC001176979432 1071244892 /nfs/dbraw/zinc/24/48/92/1071244892.db2.gz HZFVQYZCWVLCNP-RTBURBONSA-N 1 0 418.542 -0.206 20 0 HBADRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CN2CCN(c3ncccn3)CC2)CC1 ZINC001176984674 1071245405 /nfs/dbraw/zinc/24/54/05/1071245405.db2.gz PFDARHJSZRGUFL-QAQDUYKDSA-N 1 0 403.531 -0.296 20 0 HBADRO Cc1ccnn1CC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001177053442 1071247454 /nfs/dbraw/zinc/24/74/54/1071247454.db2.gz FBOWBCFOTNTHCB-UHFFFAOYSA-N 1 0 407.456 -0.030 20 0 HBADRO Cc1ccn(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n1 ZINC001177065326 1071247489 /nfs/dbraw/zinc/24/74/89/1071247489.db2.gz VSWDMLIABZHBPM-UHFFFAOYSA-N 1 0 407.456 -0.030 20 0 HBADRO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092111 1071249126 /nfs/dbraw/zinc/24/91/26/1071249126.db2.gz POGFERSLHCTAKM-GFCCVEGCSA-N 1 0 400.440 -0.490 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092112 1071248941 /nfs/dbraw/zinc/24/89/41/1071248941.db2.gz POGFERSLHCTAKM-LBPRGKRZSA-N 1 0 400.440 -0.490 20 0 HBADRO C[C@@H]1O[C@@H](OCCNC(=O)C2CC[NH+](Cc3ccccn3)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001177216285 1071251539 /nfs/dbraw/zinc/25/15/39/1071251539.db2.gz HNPBNOJNWZOIRX-NAHOJYEASA-N 1 0 409.483 -0.746 20 0 HBADRO O=C(Cc1cncnc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001177218633 1071251517 /nfs/dbraw/zinc/25/15/17/1071251517.db2.gz HTRJILMFLIECSB-JKSUJKDBSA-N 1 0 414.491 -0.150 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2cncnc2)c2nonc21 ZINC001177225020 1071251929 /nfs/dbraw/zinc/25/19/29/1071251929.db2.gz USGAHEIMBMBNMK-UHFFFAOYSA-N 1 0 405.440 -0.203 20 0 HBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001177281766 1071254412 /nfs/dbraw/zinc/25/44/12/1071254412.db2.gz CILTZGUOVQAQRA-INIZCTEOSA-N 1 0 415.498 -0.025 20 0 HBADRO O=C(Cc1ncccn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001177375119 1071256576 /nfs/dbraw/zinc/25/65/76/1071256576.db2.gz DIQULJALFXCIFJ-LSDHHAIUSA-N 1 0 414.491 -0.150 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2ncccn2)c2nonc21 ZINC001177380194 1071257332 /nfs/dbraw/zinc/25/73/32/1071257332.db2.gz GGAVXMAJOSBAHP-UHFFFAOYSA-N 1 0 405.440 -0.203 20 0 HBADRO [NH3+]CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)N(O)N=O ZINC001177396634 1071258740 /nfs/dbraw/zinc/25/87/40/1071258740.db2.gz IWHNMSIJXAVHAM-HNNXBMFYSA-N 1 0 416.442 -0.518 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2ncc(F)cn2)c2nonc21 ZINC001177407087 1071259623 /nfs/dbraw/zinc/25/96/23/1071259623.db2.gz VECUQYSCOPZRNF-UHFFFAOYSA-N 1 0 423.430 -0.063 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCc2nncn2C)c2nonc21 ZINC001177432913 1071260943 /nfs/dbraw/zinc/26/09/43/1071260943.db2.gz QXQJDTVFUFIBJN-UHFFFAOYSA-N 1 0 422.471 -0.474 20 0 HBADRO Cc1nnc(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)[nH]1 ZINC001177435785 1071260933 /nfs/dbraw/zinc/26/09/33/1071260933.db2.gz AWQKJHCDLCYERK-UONOGXRCSA-N 1 0 417.495 -0.513 20 0 HBADRO Cc1nnc(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)[nH]1 ZINC001177443343 1071261952 /nfs/dbraw/zinc/26/19/52/1071261952.db2.gz VUZWQTBOSRKZAA-UHFFFAOYSA-N 1 0 408.444 -0.566 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCC(=O)Nc1nncs1 ZINC001177444243 1071261916 /nfs/dbraw/zinc/26/19/16/1071261916.db2.gz AJXYCSKGSXANCY-UHFFFAOYSA-N 1 0 414.469 -0.121 20 0 HBADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001177578584 1071264332 /nfs/dbraw/zinc/26/43/32/1071264332.db2.gz IGEKUWNPDAQLGB-UKNAQKAOSA-N 1 0 419.526 -0.083 20 0 HBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001177588383 1071264164 /nfs/dbraw/zinc/26/41/64/1071264164.db2.gz WKTGRVLBQJOPCO-UHFFFAOYSA-N 1 0 421.564 -0.170 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177709454 1071267869 /nfs/dbraw/zinc/26/78/69/1071267869.db2.gz XQVMYTPAPPTEEB-LBPRGKRZSA-N 1 0 400.440 -0.559 20 0 HBADRO Cn1cnc(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1 ZINC001177847530 1071272876 /nfs/dbraw/zinc/27/28/76/1071272876.db2.gz LHEFBLYQGAMCMV-JKSUJKDBSA-N 1 0 416.507 -0.206 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2cn(C)cn2)c2nonc21 ZINC001177853062 1071273587 /nfs/dbraw/zinc/27/35/87/1071273587.db2.gz HJDCKGQCNZVVOV-UHFFFAOYSA-N 1 0 407.456 -0.259 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001177853171 1071273630 /nfs/dbraw/zinc/27/36/30/1071273630.db2.gz NOTRUMPYLPIJQN-GFCCVEGCSA-N 1 0 407.475 -0.079 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 ZINC001177853172 1071273555 /nfs/dbraw/zinc/27/35/55/1071273555.db2.gz NOTRUMPYLPIJQN-LBPRGKRZSA-N 1 0 407.475 -0.079 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cc1csc(NC=O)n1)CC2 ZINC001178031343 1071278294 /nfs/dbraw/zinc/27/82/94/1071278294.db2.gz JMRNOHBYNANYGY-UHFFFAOYSA-N 1 0 422.555 -0.049 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1CN(c3cnccn3)C1)CC2 ZINC001178091957 1071279616 /nfs/dbraw/zinc/27/96/16/1071279616.db2.gz MSBDIFNMBNASLS-UHFFFAOYSA-N 1 0 415.542 -0.390 20 0 HBADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C1CN(c2cnccn2)C1 ZINC001178100464 1071278937 /nfs/dbraw/zinc/27/89/37/1071278937.db2.gz UEZCPTSCSJKGHJ-UHFFFAOYSA-N 1 0 402.480 -0.141 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115015 1071278877 /nfs/dbraw/zinc/27/88/77/1071278877.db2.gz JBZDZZPJVWDBSG-KBPBESRZSA-N 1 0 422.573 -0.507 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115016 1071278957 /nfs/dbraw/zinc/27/89/57/1071278957.db2.gz JBZDZZPJVWDBSG-KGLIPLIRSA-N 1 0 422.573 -0.507 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115017 1071279136 /nfs/dbraw/zinc/27/91/36/1071279136.db2.gz JBZDZZPJVWDBSG-UONOGXRCSA-N 1 0 422.573 -0.507 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115018 1071279665 /nfs/dbraw/zinc/27/96/65/1071279665.db2.gz JBZDZZPJVWDBSG-ZIAGYGMSSA-N 1 0 422.573 -0.507 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251138 1071282103 /nfs/dbraw/zinc/28/21/03/1071282103.db2.gz CTFVCZNWIJWYCY-DAYGRLMNSA-N 1 0 401.529 -0.361 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251139 1071282206 /nfs/dbraw/zinc/28/22/06/1071282206.db2.gz CTFVCZNWIJWYCY-HDMKZQKVSA-N 1 0 401.529 -0.361 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251140 1071282345 /nfs/dbraw/zinc/28/23/45/1071282345.db2.gz CTFVCZNWIJWYCY-IIDMSEBBSA-N 1 0 401.529 -0.361 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251141 1071282144 /nfs/dbraw/zinc/28/21/44/1071282144.db2.gz CTFVCZNWIJWYCY-RKVPGOIHSA-N 1 0 401.529 -0.361 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCC[NH2+]CCO ZINC001178258867 1071283686 /nfs/dbraw/zinc/28/36/86/1071283686.db2.gz JIOBRXVADPICSA-AWEZNQCLSA-N 1 0 424.502 -0.422 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC1(C[NH3+])COC1 ZINC001178260348 1071283507 /nfs/dbraw/zinc/28/35/07/1071283507.db2.gz CXNOZPKSUGNECC-ZDUSSCGKSA-N 1 0 422.486 -0.276 20 0 HBADRO N[C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001178337999 1071283753 /nfs/dbraw/zinc/28/37/53/1071283753.db2.gz QVYJMTHIDMJKBG-LUYSREMJSA-N 1 0 407.522 -0.184 20 0 HBADRO N[C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@H]21 ZINC001178338000 1071283616 /nfs/dbraw/zinc/28/36/16/1071283616.db2.gz QVYJMTHIDMJKBG-QGLKVJOYSA-N 1 0 407.522 -0.184 20 0 HBADRO N[C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001178338001 1071283844 /nfs/dbraw/zinc/28/38/44/1071283844.db2.gz QVYJMTHIDMJKBG-QSUVIHHLSA-N 1 0 407.522 -0.184 20 0 HBADRO N[C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001178338002 1071284614 /nfs/dbraw/zinc/28/46/14/1071284614.db2.gz QVYJMTHIDMJKBG-SRHPJPHMSA-N 1 0 407.522 -0.184 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CCO)CC1=O ZINC001178394635 1071287511 /nfs/dbraw/zinc/28/75/11/1071287511.db2.gz OCZVUHRRNSANQX-ARFHVFGLSA-N 1 0 401.529 -0.673 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CCO)CC1=O ZINC001178394636 1071287571 /nfs/dbraw/zinc/28/75/71/1071287571.db2.gz OCZVUHRRNSANQX-BZUAXINKSA-N 1 0 401.529 -0.673 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CC1=O ZINC001178394637 1071287421 /nfs/dbraw/zinc/28/74/21/1071287421.db2.gz OCZVUHRRNSANQX-OAGGEKHMSA-N 1 0 401.529 -0.673 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CC1=O ZINC001178394638 1071287533 /nfs/dbraw/zinc/28/75/33/1071287533.db2.gz OCZVUHRRNSANQX-XHSDSOJGSA-N 1 0 401.529 -0.673 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001178395433 1071287452 /nfs/dbraw/zinc/28/74/52/1071287452.db2.gz YNCHCYVLMVQMJI-KBPBESRZSA-N 1 0 407.533 -0.161 20 0 HBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001178395435 1071287589 /nfs/dbraw/zinc/28/75/89/1071287589.db2.gz YNCHCYVLMVQMJI-KGLIPLIRSA-N 1 0 407.533 -0.161 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001178395437 1071287342 /nfs/dbraw/zinc/28/73/42/1071287342.db2.gz YNCHCYVLMVQMJI-UONOGXRCSA-N 1 0 407.533 -0.161 20 0 HBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001178395439 1071287434 /nfs/dbraw/zinc/28/74/34/1071287434.db2.gz YNCHCYVLMVQMJI-ZIAGYGMSSA-N 1 0 407.533 -0.161 20 0 HBADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)O1 ZINC001178503090 1071293232 /nfs/dbraw/zinc/29/32/32/1071293232.db2.gz HESLLOBEICGUHQ-CKEIUWERSA-N 1 0 414.503 -0.093 20 0 HBADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)O1 ZINC001178503091 1071293211 /nfs/dbraw/zinc/29/32/11/1071293211.db2.gz HESLLOBEICGUHQ-CPUCHLNUSA-N 1 0 414.503 -0.093 20 0 HBADRO CN1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1=O ZINC001178522790 1071292519 /nfs/dbraw/zinc/29/25/19/1071292519.db2.gz RQHSOUOVWABYAK-AEGPPILISA-N 1 0 419.507 -0.704 20 0 HBADRO CN1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1=O ZINC001178522798 1071292480 /nfs/dbraw/zinc/29/24/80/1071292480.db2.gz RQHSOUOVWABYAK-VHDGCEQUSA-N 1 0 419.507 -0.704 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC(=O)N(C)C2)c2nonc21 ZINC001178527143 1071292553 /nfs/dbraw/zinc/29/25/53/1071292553.db2.gz AQOYNCLBBNXJRF-JTQLQIEISA-N 1 0 410.456 -0.757 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC(=O)N(C)C2)c2nonc21 ZINC001178527147 1071292516 /nfs/dbraw/zinc/29/25/16/1071292516.db2.gz AQOYNCLBBNXJRF-SNVBAGLBSA-N 1 0 410.456 -0.757 20 0 HBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]1C)C(N)=O ZINC001178565613 1071293744 /nfs/dbraw/zinc/29/37/44/1071293744.db2.gz XFXJUQPDKAFOAA-WOYTXXSLSA-N 1 0 423.558 -0.127 20 0 HBADRO CC[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001178691011 1071297707 /nfs/dbraw/zinc/29/77/07/1071297707.db2.gz OBFQJONLJCKVAG-ZDUSSCGKSA-N 1 0 403.526 -0.031 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NCC(N)=O ZINC001178694727 1071298409 /nfs/dbraw/zinc/29/84/09/1071298409.db2.gz BUDVADZNRBTKGP-HRCADAONSA-N 1 0 409.531 -0.406 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCC(N)=O ZINC001178694728 1071298757 /nfs/dbraw/zinc/29/87/57/1071298757.db2.gz BUDVADZNRBTKGP-JYJNAYRXSA-N 1 0 409.531 -0.406 20 0 HBADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001178731965 1071298620 /nfs/dbraw/zinc/29/86/20/1071298620.db2.gz FWDWTNIQEWILLJ-BMOVDMDCSA-N 1 0 408.495 -0.285 20 0 HBADRO CS(=O)(=O)N1CCC(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC1 ZINC001178761610 1071299734 /nfs/dbraw/zinc/29/97/34/1071299734.db2.gz FKNQGQFURJFRHA-UHFFFAOYSA-N 1 0 411.528 -0.385 20 0 HBADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2C1 ZINC001178764042 1071300548 /nfs/dbraw/zinc/30/05/48/1071300548.db2.gz PIHMWTAFVJZGNC-IAGOWNOFSA-N 1 0 403.545 -0.146 20 0 HBADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764099 1071300510 /nfs/dbraw/zinc/30/05/10/1071300510.db2.gz LOYKGMBTPFZGMH-UHFFFAOYSA-N 1 0 400.545 -0.139 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178764120 1071300316 /nfs/dbraw/zinc/30/03/16/1071300316.db2.gz LWPBIOWVUCAAEV-UHFFFAOYSA-N 1 0 420.513 -0.720 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC3)CC1 ZINC001178764368 1071300425 /nfs/dbraw/zinc/30/04/25/1071300425.db2.gz RKLWKAAYZQJTJW-UHFFFAOYSA-N 1 0 424.571 -0.356 20 0 HBADRO Cn1c2ccccc2n(CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1=O ZINC001178788689 1071301256 /nfs/dbraw/zinc/30/12/56/1071301256.db2.gz XEOCEBPOUFJWOC-UHFFFAOYSA-N 1 0 419.463 -0.038 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001178856826 1071302548 /nfs/dbraw/zinc/30/25/48/1071302548.db2.gz HZVLPWTWTOGBHU-INIZCTEOSA-N 1 0 404.468 -0.197 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001178856827 1071303329 /nfs/dbraw/zinc/30/33/29/1071303329.db2.gz HZVLPWTWTOGBHU-MRXNPFEDSA-N 1 0 404.468 -0.197 20 0 HBADRO CCN1C(=O)CO[C@H](C(=O)N2CC(N3CC[NH+](CC)CC3)C2)[C@H]1c1nccn1C ZINC001178917013 1071303202 /nfs/dbraw/zinc/30/32/02/1071303202.db2.gz GOYUBZBXDFATHN-ROUUACIJSA-N 1 0 404.515 -0.443 20 0 HBADRO CC[NH+]1CCN(C2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)C2)CC1 ZINC001178917239 1071303808 /nfs/dbraw/zinc/30/38/08/1071303808.db2.gz MNTKUCBPDPPXMH-KRWDZBQOSA-N 1 0 405.474 -0.352 20 0 HBADRO CC[NH+]1CCN(C2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)C2)CC1 ZINC001178917240 1071303688 /nfs/dbraw/zinc/30/36/88/1071303688.db2.gz MNTKUCBPDPPXMH-QGZVFWFLSA-N 1 0 405.474 -0.352 20 0 HBADRO CC[NH+]1CCN(C2CN(C(=O)[C@H]3CC(=O)N(c4cnn(CCOC)c4)C3)C2)CC1 ZINC001178918180 1071303597 /nfs/dbraw/zinc/30/35/97/1071303597.db2.gz ZZLHADZZXCYFAU-INIZCTEOSA-N 1 0 404.515 -0.269 20 0 HBADRO CC[NH+]1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(c4cnn(CCOC)c4)C3)C2)CC1 ZINC001178918181 1071303984 /nfs/dbraw/zinc/30/39/84/1071303984.db2.gz ZZLHADZZXCYFAU-MRXNPFEDSA-N 1 0 404.515 -0.269 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CN1CCN(C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001178949706 1071304694 /nfs/dbraw/zinc/30/46/94/1071304694.db2.gz UFQZZECKCPVORA-GOSISDBHSA-N 1 0 405.547 -0.399 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CN1CCN(C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001178949710 1071304609 /nfs/dbraw/zinc/30/46/09/1071304609.db2.gz UFQZZECKCPVORA-SFHVURJKSA-N 1 0 405.547 -0.399 20 0 HBADRO NC(=O)CC[C@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC001179007874 1071305970 /nfs/dbraw/zinc/30/59/70/1071305970.db2.gz DUGVKCQQIHRNJR-BLLLJJGKSA-N 1 0 400.435 -0.494 20 0 HBADRO NC(=O)CC[C@@H](C(=O)N1CC([NH2+][C@H]2CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC001179007876 1071306382 /nfs/dbraw/zinc/30/63/82/1071306382.db2.gz DUGVKCQQIHRNJR-LRDDRELGSA-N 1 0 400.435 -0.494 20 0 HBADRO NC(=O)CC[C@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC001179007877 1071306093 /nfs/dbraw/zinc/30/60/93/1071306093.db2.gz DUGVKCQQIHRNJR-MLGOLLRUSA-N 1 0 400.435 -0.494 20 0 HBADRO NC(=O)CC[C@@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC001179007879 1071306073 /nfs/dbraw/zinc/30/60/73/1071306073.db2.gz DUGVKCQQIHRNJR-WBMJQRKESA-N 1 0 400.435 -0.494 20 0 HBADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008502 1071306259 /nfs/dbraw/zinc/30/62/59/1071306259.db2.gz LWDLZEDQYBATIU-CYBMUJFWSA-N 1 0 416.521 -0.292 20 0 HBADRO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008503 1071305922 /nfs/dbraw/zinc/30/59/22/1071305922.db2.gz LWDLZEDQYBATIU-ZDUSSCGKSA-N 1 0 416.521 -0.292 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001179009051 1071306300 /nfs/dbraw/zinc/30/63/00/1071306300.db2.gz XOQQVQGAVBZGGE-AWEZNQCLSA-N 1 0 412.512 -0.532 20 0 HBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001179009052 1071306690 /nfs/dbraw/zinc/30/66/90/1071306690.db2.gz XOQQVQGAVBZGGE-CQSZACIVSA-N 1 0 412.512 -0.532 20 0 HBADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010683 1071306737 /nfs/dbraw/zinc/30/67/37/1071306737.db2.gz LDHCVVCAJPHCRR-GOSISDBHSA-N 1 0 422.526 -0.011 20 0 HBADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010685 1071307024 /nfs/dbraw/zinc/30/70/24/1071307024.db2.gz LDHCVVCAJPHCRR-SFHVURJKSA-N 1 0 422.526 -0.011 20 0 HBADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001179011408 1071306877 /nfs/dbraw/zinc/30/68/77/1071306877.db2.gz ZOMLKAXQDYUYHW-UHFFFAOYSA-N 1 0 400.545 -0.187 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)CCN1C(C)=O ZINC001179012365 1071306721 /nfs/dbraw/zinc/30/67/21/1071306721.db2.gz LBHNSNFTHLSASH-IBGZPJMESA-N 1 0 422.526 -0.058 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)CCN1C(C)=O ZINC001179012366 1071306652 /nfs/dbraw/zinc/30/66/52/1071306652.db2.gz LBHNSNFTHLSASH-LJQANCHMSA-N 1 0 422.526 -0.058 20 0 HBADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC(N4CCN(C)C(=O)C4)C3)CC2)CC1 ZINC001179013100 1071306859 /nfs/dbraw/zinc/30/68/59/1071306859.db2.gz YHUCOAZTBNVPJG-UHFFFAOYSA-N 1 0 405.543 -0.306 20 0 HBADRO CC(=O)N1CCC([NH+]2CCC(C(=O)NCCN3CCCS3(=O)=O)CC2)CC1 ZINC001179017692 1071305655 /nfs/dbraw/zinc/30/56/55/1071305655.db2.gz NICGSXFZRALYLI-UHFFFAOYSA-N 1 0 400.545 -0.139 20 0 HBADRO CC(=O)N1CCC([NH+]2CCC(C(=O)NCCOCCN3C(=O)C=CC3=O)CC2)CC1 ZINC001179018127 1071305667 /nfs/dbraw/zinc/30/56/67/1071305667.db2.gz YSEWKTODWIQYFF-UHFFFAOYSA-N 1 0 420.510 -0.233 20 0 HBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC001179020511 1071305437 /nfs/dbraw/zinc/30/54/37/1071305437.db2.gz BNZYQXQDFYPMAC-UHFFFAOYSA-N 1 0 407.500 -0.427 20 0 HBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001179021609 1071305493 /nfs/dbraw/zinc/30/54/93/1071305493.db2.gz ZJBYJFNUTOVZKZ-GOSISDBHSA-N 1 0 407.496 -0.007 20 0 HBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001179021610 1071305538 /nfs/dbraw/zinc/30/55/38/1071305538.db2.gz ZJBYJFNUTOVZKZ-SFHVURJKSA-N 1 0 407.496 -0.007 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001179030487 1071307889 /nfs/dbraw/zinc/30/78/89/1071307889.db2.gz PCFYPDRCNYUJFY-UHFFFAOYSA-N 1 0 406.531 -0.142 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001179030530 1071307924 /nfs/dbraw/zinc/30/79/24/1071307924.db2.gz QPMMQPYFLFIOQZ-IFMALSPDSA-N 1 0 421.586 -0.062 20 0 HBADRO CC(=O)N1CCN(CC(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC1 ZINC001179030556 1071307901 /nfs/dbraw/zinc/30/79/01/1071307901.db2.gz RHVCMVWZUBWFOI-UHFFFAOYSA-N 1 0 412.498 -0.136 20 0 HBADRO CC(=O)N1CCN(CC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC1 ZINC001179030995 1071308518 /nfs/dbraw/zinc/30/85/18/1071308518.db2.gz KJUCTCLAHCLWKI-OKZBNKHCSA-N 1 0 402.499 -0.402 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001179031059 1071308443 /nfs/dbraw/zinc/30/84/43/1071308443.db2.gz NCDDRKCXDYPRLE-UHFFFAOYSA-N 1 0 418.542 -0.020 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001179031192 1071308386 /nfs/dbraw/zinc/30/83/86/1071308386.db2.gz RXNRFUAVNKQYFO-UHFFFAOYSA-N 1 0 406.487 -0.985 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001179031411 1071309021 /nfs/dbraw/zinc/30/90/21/1071309021.db2.gz XCEIVTOUSNXMHP-UHFFFAOYSA-N 1 0 403.531 -0.863 20 0 HBADRO CC(=O)N1CCN(CC(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001179035371 1071308767 /nfs/dbraw/zinc/30/87/67/1071308767.db2.gz DALDMFGRALHKSX-UHFFFAOYSA-N 1 0 401.511 -0.213 20 0 HBADRO CC(=O)N1CCN(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001179036010 1071309399 /nfs/dbraw/zinc/30/93/99/1071309399.db2.gz PNHVQIJXAHUTJV-UHFFFAOYSA-N 1 0 409.512 -0.903 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCCN(CC[NH3+])N(O)N=O)[C@@H](O)C1 ZINC001179069194 1071309501 /nfs/dbraw/zinc/30/95/01/1071309501.db2.gz XNHOSZLWXJVECE-BLLLJJGKSA-N 1 0 404.468 -0.341 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCCN(CC[NH3+])N(O)N=O)[C@@H](O)C1 ZINC001179069195 1071309911 /nfs/dbraw/zinc/30/99/11/1071309911.db2.gz XNHOSZLWXJVECE-LRDDRELGSA-N 1 0 404.468 -0.341 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCCN(CC[NH3+])N(O)N=O)[C@H](O)C1 ZINC001179069196 1071309950 /nfs/dbraw/zinc/30/99/50/1071309950.db2.gz XNHOSZLWXJVECE-MLGOLLRUSA-N 1 0 404.468 -0.341 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCCN(CC[NH3+])N(O)N=O)[C@H](O)C1 ZINC001179069197 1071310236 /nfs/dbraw/zinc/31/02/36/1071310236.db2.gz XNHOSZLWXJVECE-WBMJQRKESA-N 1 0 404.468 -0.341 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)O2 ZINC001179141396 1071310933 /nfs/dbraw/zinc/31/09/33/1071310933.db2.gz XNDBQROXOKNRTR-GFCCVEGCSA-N 1 0 402.452 -0.181 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)O2 ZINC001179141397 1071311062 /nfs/dbraw/zinc/31/10/62/1071311062.db2.gz XNDBQROXOKNRTR-LBPRGKRZSA-N 1 0 402.452 -0.181 20 0 HBADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179149363 1071310899 /nfs/dbraw/zinc/31/08/99/1071310899.db2.gz DCVBOZCJUYJIKN-KFWWJZLASA-N 1 0 401.504 -0.055 20 0 HBADRO C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179149364 1071310684 /nfs/dbraw/zinc/31/06/84/1071310684.db2.gz DCVBOZCJUYJIKN-RBSFLKMASA-N 1 0 401.504 -0.055 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001179150286 1071310735 /nfs/dbraw/zinc/31/07/35/1071310735.db2.gz ZECJWBUWCMTLGR-LRDDRELGSA-N 1 0 402.452 -0.466 20 0 HBADRO CN(C[C@@H](O)CO)C(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155789 1071310603 /nfs/dbraw/zinc/31/06/03/1071310603.db2.gz YRGDZUUDAJXBKI-CABCVRRESA-N 1 0 401.504 -0.102 20 0 HBADRO CN(C[C@H](O)CO)C(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155791 1071311019 /nfs/dbraw/zinc/31/10/19/1071311019.db2.gz YRGDZUUDAJXBKI-GJZGRUSLSA-N 1 0 401.504 -0.102 20 0 HBADRO CN(C[C@@H](O)CO)C(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155794 1071310803 /nfs/dbraw/zinc/31/08/03/1071310803.db2.gz YRGDZUUDAJXBKI-HUUCEWRRSA-N 1 0 401.504 -0.102 20 0 HBADRO CN(C[C@H](O)CO)C(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155797 1071310570 /nfs/dbraw/zinc/31/05/70/1071310570.db2.gz YRGDZUUDAJXBKI-LSDHHAIUSA-N 1 0 401.504 -0.102 20 0 HBADRO C[N@@H+]1C[C@H](C(=O)N[C@H](CO)C(N)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156409 1071310646 /nfs/dbraw/zinc/31/06/46/1071310646.db2.gz PXFSXHMZUUFXHI-CHWSQXEVSA-N 1 0 400.476 -0.951 20 0 HBADRO C[N@@H+]1C[C@@H](C(=O)N[C@H](CO)C(N)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156410 1071310760 /nfs/dbraw/zinc/31/07/60/1071310760.db2.gz PXFSXHMZUUFXHI-OLZOCXBDSA-N 1 0 400.476 -0.951 20 0 HBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H](CO)C(N)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156411 1071311622 /nfs/dbraw/zinc/31/16/22/1071311622.db2.gz PXFSXHMZUUFXHI-QWHCGFSZSA-N 1 0 400.476 -0.951 20 0 HBADRO C[N@@H+]1C[C@@H](C(=O)N[C@@H](CO)C(N)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156412 1071311714 /nfs/dbraw/zinc/31/17/14/1071311714.db2.gz PXFSXHMZUUFXHI-STQMWFEESA-N 1 0 400.476 -0.951 20 0 HBADRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001179184003 1071310866 /nfs/dbraw/zinc/31/08/66/1071310866.db2.gz JFRYNVNPNGWTLK-NOGJIQAUSA-N 1 0 404.511 -0.273 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCN(CC[NH3+])N(O)N=O)=NO2)C1 ZINC001179211695 1071311654 /nfs/dbraw/zinc/31/16/54/1071311654.db2.gz WUDUKFNOAZMWBT-INIZCTEOSA-N 1 0 415.451 -0.193 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCN(CC[NH3+])N(O)N=O)=NO2)C1 ZINC001179211696 1071311704 /nfs/dbraw/zinc/31/17/04/1071311704.db2.gz WUDUKFNOAZMWBT-MRXNPFEDSA-N 1 0 415.451 -0.193 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001179217363 1071312869 /nfs/dbraw/zinc/31/28/69/1071312869.db2.gz OZTLHWNOOFKHBD-AWEZNQCLSA-N 1 0 402.455 -0.093 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001179217364 1071312858 /nfs/dbraw/zinc/31/28/58/1071312858.db2.gz OZTLHWNOOFKHBD-CQSZACIVSA-N 1 0 402.455 -0.093 20 0 HBADRO C[N@@H+]1CCCN(CCNC(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179222075 1071313944 /nfs/dbraw/zinc/31/39/44/1071313944.db2.gz XHXRXPCWPPJUAF-INIZCTEOSA-N 1 0 409.531 -0.134 20 0 HBADRO C[N@@H+]1CCCN(CCNC(=O)[C@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179222076 1071313834 /nfs/dbraw/zinc/31/38/34/1071313834.db2.gz XHXRXPCWPPJUAF-MRXNPFEDSA-N 1 0 409.531 -0.134 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NCCN(CC[NH3+])N(O)N=O)=NO[C@@H]2C1 ZINC001179234140 1071314836 /nfs/dbraw/zinc/31/48/36/1071314836.db2.gz UXWLTWUJPZHMHP-WDEREUQCSA-N 1 0 401.424 -0.727 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCCC2)CC1=O ZINC001179315367 1071317313 /nfs/dbraw/zinc/31/73/13/1071317313.db2.gz UVULCICSGMYWHZ-CVEARBPZSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)CC1=O ZINC001179315368 1071317427 /nfs/dbraw/zinc/31/74/27/1071317427.db2.gz UVULCICSGMYWHZ-HOTGVXAUSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCCC2)CC1=O ZINC001179315369 1071317152 /nfs/dbraw/zinc/31/71/52/1071317152.db2.gz UVULCICSGMYWHZ-HZPDHXFCSA-N 1 0 400.545 -0.139 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)CC1=O ZINC001179315370 1071317214 /nfs/dbraw/zinc/31/72/14/1071317214.db2.gz UVULCICSGMYWHZ-JKSUJKDBSA-N 1 0 400.545 -0.139 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)n1cnc(C[NH3+])cc1=N)CCS2(=O)=O ZINC001179362603 1071318852 /nfs/dbraw/zinc/31/88/52/1071318852.db2.gz KEHZMTYDKOCZPD-GFCCVEGCSA-N 1 0 411.484 -0.114 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)n1cnc(C[NH3+])cc1=N)CCS2(=O)=O ZINC001179362604 1071318926 /nfs/dbraw/zinc/31/89/26/1071318926.db2.gz KEHZMTYDKOCZPD-LBPRGKRZSA-N 1 0 411.484 -0.114 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)n1cc(C[NH3+])cnc1=N)CCS2(=O)=O ZINC001179363493 1071319299 /nfs/dbraw/zinc/31/92/99/1071319299.db2.gz LAJLGLZJOQUPBJ-GFCCVEGCSA-N 1 0 411.484 -0.114 20 0 HBADRO CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)n1cc(C[NH3+])cnc1=N)CCS2(=O)=O ZINC001179363494 1071319352 /nfs/dbraw/zinc/31/93/52/1071319352.db2.gz LAJLGLZJOQUPBJ-LBPRGKRZSA-N 1 0 411.484 -0.114 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[C@H]2C1 ZINC001179373304 1071320273 /nfs/dbraw/zinc/32/02/73/1071320273.db2.gz RBBUKCSWWZDQRN-FRRDWIJNSA-N 1 0 402.452 -0.467 20 0 HBADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC(CO)(CO)CO)C2)CC1 ZINC001179378665 1071319959 /nfs/dbraw/zinc/31/99/59/1071319959.db2.gz ADYHTMXQHWDEAX-HNNXBMFYSA-N 1 0 415.531 -0.070 20 0 HBADRO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC(CO)(CO)CO)C2)CC1 ZINC001179378666 1071320031 /nfs/dbraw/zinc/32/00/31/1071320031.db2.gz ADYHTMXQHWDEAX-OAHLLOKOSA-N 1 0 415.531 -0.070 20 0 HBADRO CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCS1(=O)=O ZINC001179547563 1071323135 /nfs/dbraw/zinc/32/31/35/1071323135.db2.gz PZOUIHLSNDDQIN-CABCVRRESA-N 1 0 401.529 -0.361 20 0 HBADRO CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCS1(=O)=O ZINC001179547566 1071323465 /nfs/dbraw/zinc/32/34/65/1071323465.db2.gz PZOUIHLSNDDQIN-GJZGRUSLSA-N 1 0 401.529 -0.361 20 0 HBADRO CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCS1(=O)=O ZINC001179547567 1071323216 /nfs/dbraw/zinc/32/32/16/1071323216.db2.gz PZOUIHLSNDDQIN-HUUCEWRRSA-N 1 0 401.529 -0.361 20 0 HBADRO CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCS1(=O)=O ZINC001179547569 1071323107 /nfs/dbraw/zinc/32/31/07/1071323107.db2.gz PZOUIHLSNDDQIN-LSDHHAIUSA-N 1 0 401.529 -0.361 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[C@H]2OCC[C@H]21 ZINC001179552538 1071323159 /nfs/dbraw/zinc/32/31/59/1071323159.db2.gz ZSORNGGQCHUDSO-YNEHKIRRSA-N 1 0 402.452 -0.325 20 0 HBADRO NS(=O)(=O)c1ccc(CNCC(=O)NCC(=O)NCc2ccccc2)c(F)c1 ZINC001179566613 1071322783 /nfs/dbraw/zinc/32/27/83/1071322783.db2.gz YSGQKRDRDVMBBF-UHFFFAOYSA-N 1 0 408.455 -0.005 20 0 HBADRO CC1(C)C(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1(C)C ZINC001179697006 1071325008 /nfs/dbraw/zinc/32/50/08/1071325008.db2.gz NQLZIPOWWYDDIE-YEQQSWKOSA-N 1 0 406.443 -0.925 20 0 HBADRO CCC1=NC2(CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC2)C(=O)N1CCOC ZINC001179709582 1071325926 /nfs/dbraw/zinc/32/59/26/1071325926.db2.gz GCHUBICVJZEJAC-UHFFFAOYSA-N 1 0 402.517 -0.041 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH+]3CCC2CC3)c1 ZINC001179899491 1071327314 /nfs/dbraw/zinc/32/73/14/1071327314.db2.gz GLWWFIVTAKHNEC-AWEZNQCLSA-N 1 0 415.537 -0.174 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001179899492 1071327263 /nfs/dbraw/zinc/32/72/63/1071327263.db2.gz GLWWFIVTAKHNEC-CQSZACIVSA-N 1 0 415.537 -0.174 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CN1c2ccccc2C(=O)C1=O ZINC001180046575 1071329456 /nfs/dbraw/zinc/32/94/56/1071329456.db2.gz QZJYHLGRGOPTAV-UHFFFAOYSA-N 1 0 418.431 -0.162 20 0 HBADRO [NH3+]CCN(CCNC(=O)CCCC(=O)N1CC(=O)Nc2ccccc21)N(O)N=O ZINC001180102779 1071331300 /nfs/dbraw/zinc/33/13/00/1071331300.db2.gz YLKMFOZGWYRVFJ-UHFFFAOYSA-N 1 0 407.431 -0.194 20 0 HBADRO C=C(F)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001180122368 1071331439 /nfs/dbraw/zinc/33/14/39/1071331439.db2.gz UJPOHTMCPJIUEA-KKUMJFAQSA-N 1 0 413.494 -0.300 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H](F)c1ccccc1 ZINC001180151164 1071331780 /nfs/dbraw/zinc/33/17/80/1071331780.db2.gz CHSDKGHXNTWYTF-JISVWNMTSA-N 1 0 418.385 -0.896 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H](F)c1ccccc1 ZINC001180151165 1071332066 /nfs/dbraw/zinc/33/20/66/1071332066.db2.gz CHSDKGHXNTWYTF-YQWFMWJPSA-N 1 0 418.385 -0.896 20 0 HBADRO CC(=O)N(C)CCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001180223778 1071331933 /nfs/dbraw/zinc/33/19/33/1071331933.db2.gz PZEXLKKFMDLHKA-JKSUJKDBSA-N 1 0 421.523 -0.314 20 0 HBADRO CC(=O)N(C)CCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001180231974 1071332499 /nfs/dbraw/zinc/33/24/99/1071332499.db2.gz WGOFULPIUKVFPU-UHFFFAOYSA-N 1 0 412.472 -0.367 20 0 HBADRO CC(C)N(C(=O)Cc1nc(N)n[nH]1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001180247354 1071333019 /nfs/dbraw/zinc/33/30/19/1071333019.db2.gz ZEJVFGUCXKJYDO-UHFFFAOYSA-N 1 0 415.502 -0.314 20 0 HBADRO O=C(C1=NNC(=O)CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001180255067 1071333536 /nfs/dbraw/zinc/33/35/36/1071333536.db2.gz MRRBMQFJQLIYCA-GXTWGEPZSA-N 1 0 418.479 -0.916 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=NNC(=O)CC2)c2nonc21 ZINC001180260453 1071333778 /nfs/dbraw/zinc/33/37/78/1071333778.db2.gz SAYVMTNHVZDZSB-UHFFFAOYSA-N 1 0 409.428 -0.969 20 0 HBADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CCC(=O)N1CCNC(=O)CC1)CC2 ZINC001180263699 1071334234 /nfs/dbraw/zinc/33/42/34/1071334234.db2.gz ICOWYUSNCJOUIA-UHFFFAOYSA-N 1 0 407.515 -0.682 20 0 HBADRO O=C(CCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CCNC(=O)CC1 ZINC001180263737 1071334115 /nfs/dbraw/zinc/33/41/15/1071334115.db2.gz ILGRETASIGXQFM-UHFFFAOYSA-N 1 0 416.526 -0.008 20 0 HBADRO Nc1cn(C(=O)CCC(=O)N2CCNC(=O)CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001180263956 1071334675 /nfs/dbraw/zinc/33/46/75/1071334675.db2.gz YLKKEQPIVVHOQV-UHFFFAOYSA-N 1 0 418.498 -0.928 20 0 HBADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCC(=O)N3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001180265100 1071335368 /nfs/dbraw/zinc/33/53/68/1071335368.db2.gz YSXBHPQQQGRCEF-IAGOWNOFSA-N 1 0 410.515 -0.689 20 0 HBADRO O=C(CCC(=O)N1CCNC(=O)CC1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001180267847 1071335183 /nfs/dbraw/zinc/33/51/83/1071335183.db2.gz PRKMNLFHCATRHU-UHFFFAOYSA-N 1 0 413.478 -0.029 20 0 HBADRO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)CCC(=O)N1CCNC(=O)CC1)C2 ZINC001180268250 1071335255 /nfs/dbraw/zinc/33/52/55/1071335255.db2.gz ZOJQPTPYGPSKPK-UHFFFAOYSA-N 1 0 419.530 -0.021 20 0 HBADRO [NH3+]CCN=c1ccc(Br)cn1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180272211 1071335712 /nfs/dbraw/zinc/33/57/12/1071335712.db2.gz DUVMQQMCZXKOED-UHFFFAOYSA-N 1 0 412.288 -0.121 20 0 HBADRO NC(=[NH2+])N(C(=O)CCC(=O)N1CCNC(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC001180272478 1071335892 /nfs/dbraw/zinc/33/58/92/1071335892.db2.gz KTPRGUSRSOXWIP-UHFFFAOYSA-N 1 0 416.482 -0.122 20 0 HBADRO C[N@H+](CCNC(=O)CCC(=O)N1CCNC(=O)CC1)CCNC(=O)OC(C)(C)C ZINC001180273062 1071336597 /nfs/dbraw/zinc/33/65/97/1071336597.db2.gz RVUWYSZKLBBDIF-UHFFFAOYSA-N 1 0 413.519 -0.312 20 0 HBADRO O=C(CCC(=O)N1CCNC(=O)CC1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001180273351 1071336222 /nfs/dbraw/zinc/33/62/22/1071336222.db2.gz VYGCDFGVBXQMOB-UHFFFAOYSA-N 1 0 421.542 -0.292 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001180345134 1071337321 /nfs/dbraw/zinc/33/73/21/1071337321.db2.gz JMSRMXPKBJYNDK-YQVWRLOYSA-N 1 0 418.542 -0.066 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001180345171 1071337349 /nfs/dbraw/zinc/33/73/49/1071337349.db2.gz JXYOEPYQZCIHDH-NRFANRHFSA-N 1 0 407.559 -0.058 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001180345173 1071337022 /nfs/dbraw/zinc/33/70/22/1071337022.db2.gz JXYOEPYQZCIHDH-OAQYLSRUSA-N 1 0 407.559 -0.058 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001180345380 1071337132 /nfs/dbraw/zinc/33/71/32/1071337132.db2.gz LCKUGGSJXYANAB-SJORKVTESA-N 1 0 401.577 -0.401 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345554 1071336839 /nfs/dbraw/zinc/33/68/39/1071336839.db2.gz PIYLWYOZYYWVRU-NRFANRHFSA-N 1 0 409.575 -0.301 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345562 1071337050 /nfs/dbraw/zinc/33/70/50/1071337050.db2.gz PIYLWYOZYYWVRU-OAQYLSRUSA-N 1 0 409.575 -0.301 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001180345649 1071336790 /nfs/dbraw/zinc/33/67/90/1071336790.db2.gz RDXDVHIWVUCMOV-AQNXPRMDSA-N 1 0 422.570 -0.018 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)CC1 ZINC001180345733 1071336817 /nfs/dbraw/zinc/33/68/17/1071336817.db2.gz ULVBGTYLFPZFQH-UHFFFAOYSA-N 1 0 405.503 -0.515 20 0 HBADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CN2CC[NH+](C(C)C)CC2)C1 ZINC001180345753 1071337252 /nfs/dbraw/zinc/33/72/52/1071337252.db2.gz VCNHMSQEYCYPCV-KRWDZBQOSA-N 1 0 406.531 -0.370 20 0 HBADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CN2CC[NH+](C(C)C)CC2)C1 ZINC001180345754 1071337221 /nfs/dbraw/zinc/33/72/21/1071337221.db2.gz VCNHMSQEYCYPCV-QGZVFWFLSA-N 1 0 406.531 -0.370 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)CC1 ZINC001180346907 1071336954 /nfs/dbraw/zinc/33/69/54/1071336954.db2.gz HRUUTRQAIFCPHX-NLWGTHIKSA-N 1 0 418.542 -0.066 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001180346938 1071337281 /nfs/dbraw/zinc/33/72/81/1071337281.db2.gz JAHVFAXPQYNYDO-NRFANRHFSA-N 1 0 418.542 -0.063 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001180346939 1071337424 /nfs/dbraw/zinc/33/74/24/1071337424.db2.gz JAHVFAXPQYNYDO-OAQYLSRUSA-N 1 0 418.542 -0.063 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)CC1 ZINC001180347486 1071337100 /nfs/dbraw/zinc/33/71/00/1071337100.db2.gz VCAHPWKATFSXMQ-UHFFFAOYSA-N 1 0 417.554 -0.110 20 0 HBADRO CC(C)[NH+]1CCN(CC(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)CC1 ZINC001180347532 1071337932 /nfs/dbraw/zinc/33/79/32/1071337932.db2.gz WIPCGUWCLINGBU-UHFFFAOYSA-N 1 0 407.519 -0.749 20 0 HBADRO Cc1cn([C@H]2C[C@H](NC(=O)CN3CC[NH+](C(C)C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001180352986 1071338029 /nfs/dbraw/zinc/33/80/29/1071338029.db2.gz UZWPUZAETPPOHI-ZMSDIMECSA-N 1 0 409.487 -0.952 20 0 HBADRO O=C(CN1C(=O)CNC1=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001180379852 1071339188 /nfs/dbraw/zinc/33/91/88/1071339188.db2.gz CLTDFHFGAVDXNM-UHFFFAOYSA-N 1 0 409.450 -0.082 20 0 HBADRO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001180382143 1071339832 /nfs/dbraw/zinc/33/98/32/1071339832.db2.gz OTJOJRRFLCHYAP-PMPSAXMXSA-N 1 0 401.471 -0.469 20 0 HBADRO O=C(CN1C(=O)CNC1=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001180384755 1071340762 /nfs/dbraw/zinc/34/07/62/1071340762.db2.gz ZVJHOAIEGUJWOX-UHFFFAOYSA-N 1 0 407.452 -0.616 20 0 HBADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)CN1C(=O)CNC1=O ZINC001180385184 1071341560 /nfs/dbraw/zinc/34/15/60/1071341560.db2.gz VVLPHOSPDUTXJJ-UHFFFAOYSA-N 1 0 410.394 -0.531 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001180390047 1071341367 /nfs/dbraw/zinc/34/13/67/1071341367.db2.gz IAOWHEWGAPYEPD-DEORAPPZSA-N 1 0 400.497 -0.141 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001180390048 1071341494 /nfs/dbraw/zinc/34/14/94/1071341494.db2.gz IAOWHEWGAPYEPD-QSGXVVIFSA-N 1 0 400.497 -0.141 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001180390051 1071341473 /nfs/dbraw/zinc/34/14/73/1071341473.db2.gz IAOWHEWGAPYEPD-WJNMYVKJSA-N 1 0 400.497 -0.141 20 0 HBADRO CC[NH+](CC)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001180390053 1071341346 /nfs/dbraw/zinc/34/13/46/1071341346.db2.gz IAOWHEWGAPYEPD-XNJHUCFUSA-N 1 0 400.497 -0.141 20 0 HBADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001180407198 1071342499 /nfs/dbraw/zinc/34/24/99/1071342499.db2.gz INGYQICATCGDFA-RBUKOAKNSA-N 1 0 414.506 -0.108 20 0 HBADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001180408030 1071342662 /nfs/dbraw/zinc/34/26/62/1071342662.db2.gz PTQVCCWNKFSSKG-ZWKOTPCHSA-N 1 0 400.479 -0.450 20 0 HBADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001180408291 1071342709 /nfs/dbraw/zinc/34/27/09/1071342709.db2.gz TZUOZNYKNSIGMS-FGTMMUONSA-N 1 0 401.463 -0.023 20 0 HBADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001180408292 1071342635 /nfs/dbraw/zinc/34/26/35/1071342635.db2.gz TZUOZNYKNSIGMS-OKZBNKHCSA-N 1 0 401.463 -0.023 20 0 HBADRO COC(=O)CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OC)C(N)=O ZINC001180411256 1071342578 /nfs/dbraw/zinc/34/25/78/1071342578.db2.gz WJNDQWYKJYWSHN-XHSDSOJGSA-N 1 0 405.451 -0.169 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001180443676 1071342410 /nfs/dbraw/zinc/34/24/10/1071342410.db2.gz YUZKQPUBNITEGQ-INIZCTEOSA-N 1 0 403.487 -0.039 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001180443679 1071342562 /nfs/dbraw/zinc/34/25/62/1071342562.db2.gz YUZKQPUBNITEGQ-MRXNPFEDSA-N 1 0 403.487 -0.039 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=NN(C)C(=O)CC2)c2nonc21 ZINC001180446013 1071342337 /nfs/dbraw/zinc/34/23/37/1071342337.db2.gz PSWQITXZHNBERI-UHFFFAOYSA-N 1 0 423.455 -0.627 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CCC(=O)N2CCOCC2)CC3)CC1 ZINC001180493313 1071343796 /nfs/dbraw/zinc/34/37/96/1071343796.db2.gz PLUWXCOFBFXMMY-UHFFFAOYSA-N 1 0 404.515 -0.388 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CCC(=O)N1CCOCC1)CC2 ZINC001180493362 1071343602 /nfs/dbraw/zinc/34/36/02/1071343602.db2.gz RDMWHLNUZYVLJL-UHFFFAOYSA-N 1 0 423.558 -0.678 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCC(=O)N1CCOCC1 ZINC001180494034 1071344292 /nfs/dbraw/zinc/34/42/92/1071344292.db2.gz IBIHMMJIGTZMOJ-UHFFFAOYSA-N 1 0 400.457 -0.753 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCC(=O)N1CCOCC1)CC2 ZINC001180494717 1071344248 /nfs/dbraw/zinc/34/42/48/1071344248.db2.gz QIPZIWAMRSPPBX-UHFFFAOYSA-N 1 0 407.471 -0.510 20 0 HBADRO O=C(CCC(=O)N1CCOCC1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001180498344 1071345031 /nfs/dbraw/zinc/34/50/31/1071345031.db2.gz AXTSVFGCHHQMEV-UHFFFAOYSA-N 1 0 410.496 -0.428 20 0 HBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(O)(C[NH+]4CCCCC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001180524018 1071343783 /nfs/dbraw/zinc/34/37/83/1071343783.db2.gz XWEVNYSJLRUFCG-KZNAEPCWSA-N 1 0 419.526 -0.250 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@@H]2COCC[NH+]1CCCC1 ZINC001180549304 1071345666 /nfs/dbraw/zinc/34/56/66/1071345666.db2.gz CSWVRJKZSFXZTO-DZGCQCFKSA-N 1 0 408.528 -0.415 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@H]1CSCC(=O)N1)[C@H]2COCC[NH+]1CCCC1 ZINC001180549305 1071345547 /nfs/dbraw/zinc/34/55/47/1071345547.db2.gz CSWVRJKZSFXZTO-HIFRSBDPSA-N 1 0 408.528 -0.415 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@H]1CSCC(=O)N1)[C@@H]2COCC[NH+]1CCCC1 ZINC001180549306 1071345486 /nfs/dbraw/zinc/34/54/86/1071345486.db2.gz CSWVRJKZSFXZTO-UKRRQHHQSA-N 1 0 408.528 -0.415 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@H]2COCC[NH+]1CCCC1 ZINC001180549307 1071345609 /nfs/dbraw/zinc/34/56/09/1071345609.db2.gz CSWVRJKZSFXZTO-ZFWWWQNUSA-N 1 0 408.528 -0.415 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCC1)C(=O)NCC(N)=O ZINC001180580845 1071344973 /nfs/dbraw/zinc/34/49/73/1071344973.db2.gz ZJAMRCRZNSUQNX-JYJNAYRXSA-N 1 0 409.531 -0.406 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCC1)C(=O)NCC(N)=O ZINC001180580846 1071345059 /nfs/dbraw/zinc/34/50/59/1071345059.db2.gz ZJAMRCRZNSUQNX-PMPSAXMXSA-N 1 0 409.531 -0.406 20 0 HBADRO C[C@H](C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO)[NH+]1CCCC1 ZINC001180582187 1071347264 /nfs/dbraw/zinc/34/72/64/1071347264.db2.gz JSFCDHMESCJARI-XDJZACDYSA-N 1 0 419.486 -0.888 20 0 HBADRO C[C@@H](C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO)[NH+]1CCCC1 ZINC001180582188 1071347448 /nfs/dbraw/zinc/34/74/48/1071347448.db2.gz JSFCDHMESCJARI-YCOMJZELSA-N 1 0 419.486 -0.888 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001180592375 1071347988 /nfs/dbraw/zinc/34/79/88/1071347988.db2.gz AATCJJZSCRUUQV-FCEWJHQRSA-N 1 0 408.524 -0.088 20 0 HBADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001180592435 1071348049 /nfs/dbraw/zinc/34/80/49/1071348049.db2.gz CCZHUPBEHYPQHV-UHFFFAOYSA-N 1 0 400.545 -0.738 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001180592462 1071347956 /nfs/dbraw/zinc/34/79/56/1071347956.db2.gz DHIFBVRAABZRPI-UHFFFAOYSA-N 1 0 419.511 -0.570 20 0 HBADRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)CN1CCS(=O)(=O)CC1)CCC2 ZINC001180593057 1071348634 /nfs/dbraw/zinc/34/86/34/1071348634.db2.gz KSOXRZRURRMKMO-UHFFFAOYSA-N 1 0 413.544 -0.576 20 0 HBADRO Cc1ccc(N(C(=O)CN2CCS(=O)(=O)CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180593409 1071348590 /nfs/dbraw/zinc/34/85/90/1071348590.db2.gz PEEWCSJWYIFNJS-APWZRJJASA-N 1 0 423.539 -0.240 20 0 HBADRO Cc1ccc(N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180593417 1071348668 /nfs/dbraw/zinc/34/86/68/1071348668.db2.gz PEEWCSJWYIFNJS-LPHOPBHVSA-N 1 0 423.539 -0.240 20 0 HBADRO Cc1ccc(N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180593419 1071348737 /nfs/dbraw/zinc/34/87/37/1071348737.db2.gz PEEWCSJWYIFNJS-QFBILLFUSA-N 1 0 423.539 -0.240 20 0 HBADRO Cc1ccc(N(C(=O)CN2CCS(=O)(=O)CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180593421 1071349207 /nfs/dbraw/zinc/34/92/07/1071349207.db2.gz PEEWCSJWYIFNJS-VQIMIIECSA-N 1 0 423.539 -0.240 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001180593714 1071349261 /nfs/dbraw/zinc/34/92/61/1071349261.db2.gz JVWOBUBRLNZHLF-UHFFFAOYSA-N 1 0 418.523 -0.313 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001180594249 1071349723 /nfs/dbraw/zinc/34/97/23/1071349723.db2.gz NQFMZDNXCVPXOT-UHFFFAOYSA-N 1 0 406.468 -0.626 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001180594370 1071349559 /nfs/dbraw/zinc/34/95/59/1071349559.db2.gz PCOPAANDWDPPIC-KBXCAEBGSA-N 1 0 412.487 -0.195 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001180594373 1071349645 /nfs/dbraw/zinc/34/96/45/1071349645.db2.gz PCOPAANDWDPPIC-KDOFPFPSSA-N 1 0 412.487 -0.195 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001180594376 1071349710 /nfs/dbraw/zinc/34/97/10/1071349710.db2.gz PCOPAANDWDPPIC-KSSFIOAISA-N 1 0 412.487 -0.195 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001180594379 1071349629 /nfs/dbraw/zinc/34/96/29/1071349629.db2.gz PCOPAANDWDPPIC-RDTXWAMCSA-N 1 0 412.487 -0.195 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001180594552 1071349791 /nfs/dbraw/zinc/34/97/91/1071349791.db2.gz ROHZQKPTUBTXRE-HRCADAONSA-N 1 0 409.512 -0.836 20 0 HBADRO CCOC(=O)C1CC[NH+](C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 ZINC001180594553 1071349583 /nfs/dbraw/zinc/34/95/83/1071349583.db2.gz RPIVIKJFEPEHQB-UHFFFAOYSA-N 1 0 415.556 -0.017 20 0 HBADRO [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001180597405 1071350791 /nfs/dbraw/zinc/35/07/91/1071350791.db2.gz KUEGWRREMRICPJ-UHFFFAOYSA-N 1 0 408.524 -0.647 20 0 HBADRO O=C(CN1CCS(=O)(=O)CC1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001180598154 1071350701 /nfs/dbraw/zinc/35/07/01/1071350701.db2.gz XSTLWOCSCVIBPK-UHFFFAOYSA-N 1 0 400.545 -0.690 20 0 HBADRO CC(C)([NH3+])CN(C(=O)CN1CCS(=O)(=O)CC1)S(=O)(=O)c1ccccc1 ZINC001180599227 1071351437 /nfs/dbraw/zinc/35/14/37/1071351437.db2.gz ZMFOPQQPOXSGEV-UHFFFAOYSA-N 1 0 403.526 -0.328 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)CC1 ZINC001180606927 1071351390 /nfs/dbraw/zinc/35/13/90/1071351390.db2.gz JNJYIIPPTKXWOE-UHFFFAOYSA-N 1 0 419.486 -0.954 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CC1 ZINC001180608359 1071351223 /nfs/dbraw/zinc/35/12/23/1071351223.db2.gz BEDBARSYRRVWTB-BRWVUGGUSA-N 1 0 408.499 -0.114 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)CC1 ZINC001180608467 1071351102 /nfs/dbraw/zinc/35/11/02/1071351102.db2.gz DLWPAUSGSKVIBE-UHFFFAOYSA-N 1 0 404.471 -0.688 20 0 HBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1=O ZINC001180608783 1071351263 /nfs/dbraw/zinc/35/12/63/1071351263.db2.gz HZEITFGFTXIZEX-NRFANRHFSA-N 1 0 421.542 -0.497 20 0 HBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1=O ZINC001180608784 1071351285 /nfs/dbraw/zinc/35/12/85/1071351285.db2.gz HZEITFGFTXIZEX-OAQYLSRUSA-N 1 0 421.542 -0.497 20 0 HBADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180608791 1071351429 /nfs/dbraw/zinc/35/14/29/1071351429.db2.gz IKDVVKOBXZKKNB-NRFANRHFSA-N 1 0 424.542 -0.314 20 0 HBADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180608792 1071351335 /nfs/dbraw/zinc/35/13/35/1071351335.db2.gz IKDVVKOBXZKKNB-OAQYLSRUSA-N 1 0 424.542 -0.314 20 0 HBADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608801 1071351297 /nfs/dbraw/zinc/35/12/97/1071351297.db2.gz IOTQDRDWQPMZCS-DYESRHJHSA-N 1 0 424.542 -0.171 20 0 HBADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608802 1071351232 /nfs/dbraw/zinc/35/12/32/1071351232.db2.gz IOTQDRDWQPMZCS-LAUBAEHRSA-N 1 0 424.542 -0.171 20 0 HBADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608803 1071351314 /nfs/dbraw/zinc/35/13/14/1071351314.db2.gz IOTQDRDWQPMZCS-UTKZUKDTSA-N 1 0 424.542 -0.171 20 0 HBADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608804 1071351357 /nfs/dbraw/zinc/35/13/57/1071351357.db2.gz IOTQDRDWQPMZCS-UWJYYQICSA-N 1 0 424.542 -0.171 20 0 HBADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180608812 1071351278 /nfs/dbraw/zinc/35/12/78/1071351278.db2.gz ITRMKIDVYJTDCI-INIZCTEOSA-N 1 0 420.514 -0.809 20 0 HBADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180608813 1071351404 /nfs/dbraw/zinc/35/14/04/1071351404.db2.gz ITRMKIDVYJTDCI-MRXNPFEDSA-N 1 0 420.514 -0.809 20 0 HBADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)CC[NH+]4CCC(C(N)=O)CC4)C[C@H]32)nn1 ZINC001180608823 1071351176 /nfs/dbraw/zinc/35/11/76/1071351176.db2.gz JDWOLRPGYYCOMO-SJORKVTESA-N 1 0 402.499 -0.212 20 0 HBADRO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)[C@@H]2COC[C@H]12 ZINC001180608826 1071352152 /nfs/dbraw/zinc/35/21/52/1071352152.db2.gz JFDCQNXFDUDZQH-JFIYKMOQSA-N 1 0 417.510 -0.432 20 0 HBADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C[C@@H]21 ZINC001180608846 1071352213 /nfs/dbraw/zinc/35/22/13/1071352213.db2.gz JRQDDFIASRSFOR-YESZJQIVSA-N 1 0 409.531 -0.292 20 0 HBADRO CCN1C[C@H]2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC[C@H]2S1(=O)=O ZINC001180608992 1071351827 /nfs/dbraw/zinc/35/18/27/1071351827.db2.gz LOSHNBAXWVWMBG-HZPDHXFCSA-N 1 0 400.545 -0.154 20 0 HBADRO COCCN1CCO[C@H]2CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC[C@H]2C1=O ZINC001180609053 1071351858 /nfs/dbraw/zinc/35/18/58/1071351858.db2.gz MYGZLTMQDGDPJU-SJORKVTESA-N 1 0 410.515 -0.704 20 0 HBADRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)CC[NH+]2CCC(C(N)=O)CC2)O1 ZINC001180609067 1071352170 /nfs/dbraw/zinc/35/21/70/1071352170.db2.gz NAWSKRGGDHZNFV-KZNAEPCWSA-N 1 0 424.542 -0.173 20 0 HBADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609091 1071351798 /nfs/dbraw/zinc/35/17/98/1071351798.db2.gz NMEBVPACVKMHKX-UHFFFAOYSA-N 1 0 405.503 -0.424 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609111 1071351909 /nfs/dbraw/zinc/35/19/09/1071351909.db2.gz NVLGYHAQNKCYTE-NRFANRHFSA-N 1 0 423.558 -0.739 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609112 1071352085 /nfs/dbraw/zinc/35/20/85/1071352085.db2.gz NVLGYHAQNKCYTE-OAQYLSRUSA-N 1 0 423.558 -0.739 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CCCn3c(Cn4cccn4)nnc3C2)CC1 ZINC001180609123 1071351880 /nfs/dbraw/zinc/35/18/80/1071351880.db2.gz OENMZSSGUIPBDL-UHFFFAOYSA-N 1 0 400.487 -0.157 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC1 ZINC001180609181 1071352132 /nfs/dbraw/zinc/35/21/32/1071352132.db2.gz QCYGKYOMKRYBDQ-UHFFFAOYSA-N 1 0 405.503 -0.960 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)CC1 ZINC001180609195 1071351986 /nfs/dbraw/zinc/35/19/86/1071351986.db2.gz QRAHPZHJBVQVON-UHFFFAOYSA-N 1 0 400.487 -0.157 20 0 HBADRO COc1cc(OC)nc(CN2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)n1 ZINC001180609211 1071352068 /nfs/dbraw/zinc/35/20/68/1071352068.db2.gz REXDBHOGHYEDIN-UHFFFAOYSA-N 1 0 420.514 -0.275 20 0 HBADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C[C@H]2C1 ZINC001180609226 1071352187 /nfs/dbraw/zinc/35/21/87/1071352187.db2.gz RRNUOQKYUUAPKI-CVEARBPZSA-N 1 0 415.560 -0.840 20 0 HBADRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609381 1071351841 /nfs/dbraw/zinc/35/18/41/1071351841.db2.gz UQDLJLROHNJZRQ-OXQOHEQNSA-N 1 0 409.531 -0.005 20 0 HBADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609426 1071351892 /nfs/dbraw/zinc/35/18/92/1071351892.db2.gz VPYBVMXIIIRJPC-INIZCTEOSA-N 1 0 410.515 -0.514 20 0 HBADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609428 1071352015 /nfs/dbraw/zinc/35/20/15/1071352015.db2.gz VPYBVMXIIIRJPC-MRXNPFEDSA-N 1 0 410.515 -0.514 20 0 HBADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609714 1071352051 /nfs/dbraw/zinc/35/20/51/1071352051.db2.gz WVUKBCSTXMXPAD-UHFFFAOYSA-N 1 0 421.498 -0.249 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)CC1 ZINC001180609737 1071352675 /nfs/dbraw/zinc/35/26/75/1071352675.db2.gz XKGUFPLPTIASCT-KURKYZTESA-N 1 0 422.526 -0.151 20 0 HBADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)CC[NH+]2CCC(C(N)=O)CC2)cn1 ZINC001180609758 1071352936 /nfs/dbraw/zinc/35/29/36/1071352936.db2.gz XQESUYAUNXHLIP-SJORKVTESA-N 1 0 402.499 -0.177 20 0 HBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)CC[NH+]4CCC(C(N)=O)CC4)C3)CC2=O)cn1 ZINC001180609809 1071352621 /nfs/dbraw/zinc/35/26/21/1071352621.db2.gz YWSOGTGYYDDGNF-FQEVSTJZSA-N 1 0 402.499 -0.037 20 0 HBADRO Cn1cc(N2C[C@]3(CCN(C(=O)CC[NH+]4CCC(C(N)=O)CC4)C3)CC2=O)cn1 ZINC001180609810 1071352610 /nfs/dbraw/zinc/35/26/10/1071352610.db2.gz YWSOGTGYYDDGNF-HXUWFJFHSA-N 1 0 402.499 -0.037 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CCC(N3CCCCS3(=O)=O)CC2)CC1 ZINC001180610149 1071352648 /nfs/dbraw/zinc/35/26/48/1071352648.db2.gz DYDXPLAZKLRZRA-UHFFFAOYSA-N 1 0 400.545 -0.010 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)CC1 ZINC001180611222 1071352907 /nfs/dbraw/zinc/35/29/07/1071352907.db2.gz WINYWJYBBKIXLG-HNNXBMFYSA-N 1 0 409.512 -0.452 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)CC1 ZINC001180611223 1071352633 /nfs/dbraw/zinc/35/26/33/1071352633.db2.gz WINYWJYBBKIXLG-OAHLLOKOSA-N 1 0 409.512 -0.452 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)NCC(=O)NCC(=O)OCc2ccccc2)CC1 ZINC001180611551 1071352730 /nfs/dbraw/zinc/35/27/30/1071352730.db2.gz CQKDVLVUKBJMSA-UHFFFAOYSA-N 1 0 404.467 -0.450 20 0 HBADRO NC(=O)C1CC[NH+](CCC(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)CC1 ZINC001180614012 1071347335 /nfs/dbraw/zinc/34/73/35/1071347335.db2.gz ZRSBGCAQJYYPIF-UHFFFAOYSA-N 1 0 423.539 -0.062 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCCC1)C(=O)NCC(N)=O ZINC001180628000 1071352786 /nfs/dbraw/zinc/35/27/86/1071352786.db2.gz OODUAAXHIDTQIM-IRXDYDNUSA-N 1 0 423.558 -0.016 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCN(C)C(=O)C2)c2nonc21 ZINC001180641938 1071353370 /nfs/dbraw/zinc/35/33/70/1071353370.db2.gz JEKFXTRFGDKXEV-LLVKDONJSA-N 1 0 424.483 -0.367 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCN(C)C(=O)C2)c2nonc21 ZINC001180641939 1071353568 /nfs/dbraw/zinc/35/35/68/1071353568.db2.gz JEKFXTRFGDKXEV-NSHDSACASA-N 1 0 424.483 -0.367 20 0 HBADRO CC(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001180682563 1071354137 /nfs/dbraw/zinc/35/41/37/1071354137.db2.gz PFXLYDKDVCAURJ-GOSISDBHSA-N 1 0 407.559 -0.058 20 0 HBADRO CC(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001180682567 1071354012 /nfs/dbraw/zinc/35/40/12/1071354012.db2.gz PFXLYDKDVCAURJ-SFHVURJKSA-N 1 0 407.559 -0.058 20 0 HBADRO CN1CCO[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001180757761 1071355566 /nfs/dbraw/zinc/35/55/66/1071355566.db2.gz HMZIEZRJQBKBHZ-ARFHVFGLSA-N 1 0 421.523 -0.852 20 0 HBADRO CN1CCO[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001180757763 1071356459 /nfs/dbraw/zinc/35/64/59/1071356459.db2.gz HMZIEZRJQBKBHZ-HRCADAONSA-N 1 0 421.523 -0.852 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CN(C)CCO2)c2nonc21 ZINC001180762784 1071357368 /nfs/dbraw/zinc/35/73/68/1071357368.db2.gz FHNZUYUEXIMTFH-GFCCVEGCSA-N 1 0 412.472 -0.905 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CN(C)CCO2)c2nonc21 ZINC001180762785 1071356838 /nfs/dbraw/zinc/35/68/38/1071356838.db2.gz FHNZUYUEXIMTFH-LBPRGKRZSA-N 1 0 412.472 -0.905 20 0 HBADRO [NH3+]CCN(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N(O)N=O ZINC001180803217 1071358490 /nfs/dbraw/zinc/35/84/90/1071358490.db2.gz GSNQTTGPWIZEAG-UHFFFAOYSA-N 1 0 414.488 -0.248 20 0 HBADRO CC(=O)N1[C@@H](C(=O)N[C@@H](CO)C(N)=O)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180824511 1071357995 /nfs/dbraw/zinc/35/79/95/1071357995.db2.gz UCZCWOQPYCXIQL-DLBZAZTESA-N 1 0 420.535 -0.095 20 0 HBADRO CC(=O)N1[C@@H](C(=O)N[C@H](CO)C(N)=O)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180824514 1071357898 /nfs/dbraw/zinc/35/78/98/1071357898.db2.gz UCZCWOQPYCXIQL-IAGOWNOFSA-N 1 0 420.535 -0.095 20 0 HBADRO CC(=O)N1[C@H](C(=O)N[C@@H](CO)C(N)=O)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180824518 1071358140 /nfs/dbraw/zinc/35/81/40/1071358140.db2.gz UCZCWOQPYCXIQL-IRXDYDNUSA-N 1 0 420.535 -0.095 20 0 HBADRO CC(=O)N1[C@H](C(=O)N[C@H](CO)C(N)=O)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180824519 1071357871 /nfs/dbraw/zinc/35/78/71/1071357871.db2.gz UCZCWOQPYCXIQL-SJORKVTESA-N 1 0 420.535 -0.095 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCNC(=O)C2CC2)c2nonc21 ZINC001180853993 1071360933 /nfs/dbraw/zinc/36/09/33/1071360933.db2.gz CTCUNBVMUDXNJJ-UHFFFAOYSA-N 1 0 424.483 -0.319 20 0 HBADRO C[C@@H](C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1)[NH+](C)C ZINC001180860143 1071361003 /nfs/dbraw/zinc/36/10/03/1071361003.db2.gz BEJJPBWMSXOLIK-KBXCAEBGSA-N 1 0 400.545 -0.331 20 0 HBADRO C[C@@H](C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1)[NH+](C)C ZINC001180860144 1071360953 /nfs/dbraw/zinc/36/09/53/1071360953.db2.gz BEJJPBWMSXOLIK-KSSFIOAISA-N 1 0 400.545 -0.331 20 0 HBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)[NH+](C)C)C(N)=O ZINC001180864119 1071361197 /nfs/dbraw/zinc/36/11/97/1071361197.db2.gz RNJFHVGVWWOLOA-IHRRRGAJSA-N 1 0 417.576 -0.693 20 0 HBADRO COCCN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1=O ZINC001180890814 1071359592 /nfs/dbraw/zinc/35/95/92/1071359592.db2.gz FKDOPAIWWPWZFN-KRWDZBQOSA-N 1 0 423.558 -0.822 20 0 HBADRO COCCN1C[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1=O ZINC001180890815 1071359805 /nfs/dbraw/zinc/35/98/05/1071359805.db2.gz FKDOPAIWWPWZFN-QGZVFWFLSA-N 1 0 423.558 -0.822 20 0 HBADRO COCCN1C[C@@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001180890818 1071359846 /nfs/dbraw/zinc/35/98/46/1071359846.db2.gz FMSOGDYIPRMHDQ-INIZCTEOSA-N 1 0 404.515 -0.532 20 0 HBADRO COCCN1C[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001180890819 1071359525 /nfs/dbraw/zinc/35/95/25/1071359525.db2.gz FMSOGDYIPRMHDQ-MRXNPFEDSA-N 1 0 404.515 -0.532 20 0 HBADRO COCCN1C[C@@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC1=O ZINC001180892720 1071360300 /nfs/dbraw/zinc/36/03/00/1071360300.db2.gz NBQWRFDSJHPROU-LUKYLMHMSA-N 1 0 403.483 -0.071 20 0 HBADRO COCCN1C[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC1=O ZINC001180892723 1071360241 /nfs/dbraw/zinc/36/02/41/1071360241.db2.gz NBQWRFDSJHPROU-VVLHAWIVSA-N 1 0 403.483 -0.071 20 0 HBADRO COCCN1C[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1=O ZINC001180893278 1071360085 /nfs/dbraw/zinc/36/00/85/1071360085.db2.gz OKNRBNCJSQVXGT-LLVKDONJSA-N 1 0 400.457 -0.897 20 0 HBADRO COCCN1C[C@@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1=O ZINC001180893279 1071360314 /nfs/dbraw/zinc/36/03/14/1071360314.db2.gz OKNRBNCJSQVXGT-NSHDSACASA-N 1 0 400.457 -0.897 20 0 HBADRO COCCN1C[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001180893666 1071361132 /nfs/dbraw/zinc/36/11/32/1071361132.db2.gz QFORPEVAPGLFFN-CYBMUJFWSA-N 1 0 407.471 -0.654 20 0 HBADRO COCCN1C[C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001180893667 1071361048 /nfs/dbraw/zinc/36/10/48/1071361048.db2.gz QFORPEVAPGLFFN-ZDUSSCGKSA-N 1 0 407.471 -0.654 20 0 HBADRO COCCN1C[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1=O ZINC001180895176 1071363317 /nfs/dbraw/zinc/36/33/17/1071363317.db2.gz PJTZTNIIQCHOLL-AWEZNQCLSA-N 1 0 410.496 -0.573 20 0 HBADRO COCCN1C[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1=O ZINC001180895177 1071363562 /nfs/dbraw/zinc/36/35/62/1071363562.db2.gz PJTZTNIIQCHOLL-CQSZACIVSA-N 1 0 410.496 -0.573 20 0 HBADRO CS(=O)(=O)c1ccc(C(=O)CCC(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001180911905 1071362336 /nfs/dbraw/zinc/36/23/36/1071362336.db2.gz LCBLSVHIBXBCRM-UHFFFAOYSA-N 1 0 401.445 -0.283 20 0 HBADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001180981501 1071363586 /nfs/dbraw/zinc/36/35/86/1071363586.db2.gz YKJNZEYFEQFAEP-LBPRGKRZSA-N 1 0 408.521 -0.211 20 0 HBADRO O=C([C@H]1COCCO1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001180998060 1071363938 /nfs/dbraw/zinc/36/39/38/1071363938.db2.gz QLWFQUBEURXKDP-RRFJBIMHSA-N 1 0 408.480 -0.767 20 0 HBADRO O=C([C@@H]1COCCO1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001180998061 1071364136 /nfs/dbraw/zinc/36/41/36/1071364136.db2.gz QLWFQUBEURXKDP-SOUVJXGZSA-N 1 0 408.480 -0.767 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC12CCC[NH+]1CCC2 ZINC001181112994 1071365754 /nfs/dbraw/zinc/36/57/54/1071365754.db2.gz BVONSRDGTZFQIQ-HOTGVXAUSA-N 1 0 402.499 -0.068 20 0 HBADRO COC(=O)[C@H](CCC(=O)NCCN(CC[NH3+])N(O)N=O)NC(=O)OC(C)(C)C ZINC001181117434 1071366269 /nfs/dbraw/zinc/36/62/69/1071366269.db2.gz RZNZPMCTKSSICQ-NSHDSACASA-N 1 0 406.440 -0.503 20 0 HBADRO CN1C(=O)C[C@@H](C(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)NC1=O ZINC001181130042 1071367641 /nfs/dbraw/zinc/36/76/41/1071367641.db2.gz ORXPPFKCXNSUGY-AWEZNQCLSA-N 1 0 421.479 -0.228 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)CCC2 ZINC001181130963 1071367488 /nfs/dbraw/zinc/36/74/88/1071367488.db2.gz AERUNBBGYJLANU-AWEZNQCLSA-N 1 0 404.471 -0.244 20 0 HBADRO CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)NC1=O ZINC001181131036 1071367544 /nfs/dbraw/zinc/36/75/44/1071367544.db2.gz CQVCZNVTPUWDHJ-QZWWFDLISA-N 1 0 415.498 -0.080 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)[C@@H]2COCC[NH+]1CCCC1 ZINC001181131513 1071368288 /nfs/dbraw/zinc/36/82/88/1071368288.db2.gz IBXOWENJQHWIOE-DZGCQCFKSA-N 1 0 419.486 -0.706 20 0 HBADRO Cn1nnc2c1CCN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)[C@H]2COCC[NH+]1CCCC1 ZINC001181131514 1071368179 /nfs/dbraw/zinc/36/81/79/1071368179.db2.gz IBXOWENJQHWIOE-ZFWWWQNUSA-N 1 0 419.486 -0.706 20 0 HBADRO Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001181131591 1071367996 /nfs/dbraw/zinc/36/79/96/1071367996.db2.gz KKDLZLVBSABEGG-BIENJYKASA-N 1 0 402.455 -0.031 20 0 HBADRO Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001181131592 1071368053 /nfs/dbraw/zinc/36/80/53/1071368053.db2.gz KKDLZLVBSABEGG-CKFHNAJUSA-N 1 0 402.455 -0.031 20 0 HBADRO Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001181131593 1071368270 /nfs/dbraw/zinc/36/82/70/1071368270.db2.gz KKDLZLVBSABEGG-NJSLBKSFSA-N 1 0 402.455 -0.031 20 0 HBADRO Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001181131594 1071368197 /nfs/dbraw/zinc/36/81/97/1071368197.db2.gz KKDLZLVBSABEGG-TYILLQQXSA-N 1 0 402.455 -0.031 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CC(=O)N(C)C(=O)N4)C3)O2)CC1 ZINC001181132125 1071368457 /nfs/dbraw/zinc/36/84/57/1071368457.db2.gz WYHAQMVVQZTYCZ-GQIGUUNPSA-N 1 0 407.515 -0.286 20 0 HBADRO CN1C(=O)C[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)NC1=O ZINC001181135905 1071368994 /nfs/dbraw/zinc/36/89/94/1071368994.db2.gz JZUWCRGZQKBMQM-RDBSUJKOSA-N 1 0 409.487 -0.016 20 0 HBADRO CN1C(=O)C[C@@H](C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)NC1=O ZINC001181136763 1071368964 /nfs/dbraw/zinc/36/89/64/1071368964.db2.gz RJPZXEMHCJNZQG-LBPRGKRZSA-N 1 0 424.421 -0.143 20 0 HBADRO C[N@H+](CCC(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O)Cc1ccccc1 ZINC001181141849 1071369035 /nfs/dbraw/zinc/36/90/35/1071369035.db2.gz FOKKCQXLECPJGK-UTRMSSBJSA-N 1 0 417.466 -0.674 20 0 HBADRO CC(C)(C)OC(=O)NCCOCCOCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001181148766 1071369453 /nfs/dbraw/zinc/36/94/53/1071369453.db2.gz IZMNCRULCJWHAR-UHFFFAOYSA-N 1 0 408.456 -0.791 20 0 HBADRO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001181187115 1071369754 /nfs/dbraw/zinc/36/97/54/1071369754.db2.gz NBVQACINOPLZON-LUKYLMHMSA-N 1 0 404.515 -0.111 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)cc1F ZINC001181234632 1071371344 /nfs/dbraw/zinc/37/13/44/1071371344.db2.gz OCDFKOFANJLOCQ-UHFFFAOYSA-N 1 0 402.492 -0.305 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2ccnc(N)c2)c2nonc21 ZINC001181279199 1071371303 /nfs/dbraw/zinc/37/13/03/1071371303.db2.gz HKOJCHRGSSNRDA-UHFFFAOYSA-N 1 0 419.467 -0.015 20 0 HBADRO C[C@@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)N1CCCC1=O ZINC001181312347 1071372493 /nfs/dbraw/zinc/37/24/93/1071372493.db2.gz RIIONGVGOKOZAF-NSHDSACASA-N 1 0 424.483 -0.224 20 0 HBADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402073 1071374668 /nfs/dbraw/zinc/37/46/68/1071374668.db2.gz MOBYWFHXLQSECD-AVGNSLFASA-N 1 0 400.476 -0.280 20 0 HBADRO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402074 1071374602 /nfs/dbraw/zinc/37/46/02/1071374602.db2.gz MOBYWFHXLQSECD-RWMBFGLXSA-N 1 0 400.476 -0.280 20 0 HBADRO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1C ZINC001181413147 1071373193 /nfs/dbraw/zinc/37/31/93/1071373193.db2.gz JJXQLVPHEVFMLL-QFBILLFUSA-N 1 0 411.524 -0.076 20 0 HBADRO O=C(CNS(=O)(=O)c1ccc(F)cc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001181413201 1071373242 /nfs/dbraw/zinc/37/32/42/1071373242.db2.gz LEYWYPWZGJERFI-WMLDXEAASA-N 1 0 401.460 -0.554 20 0 HBADRO COc1ccc(C(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1OC ZINC001181413709 1071373852 /nfs/dbraw/zinc/37/38/52/1071373852.db2.gz UAADAWGYSRRVCE-MGPUTAFESA-N 1 0 407.467 -0.225 20 0 HBADRO CCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001181417143 1071373756 /nfs/dbraw/zinc/37/37/56/1071373756.db2.gz TXCPDDOLKGSOGQ-HNNXBMFYSA-N 1 0 421.541 -0.230 20 0 HBADRO C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001181418807 1071373902 /nfs/dbraw/zinc/37/39/02/1071373902.db2.gz XCADARYWTOELMG-QWRGUYRKSA-N 1 0 405.456 -0.931 20 0 HBADRO C[C@@H](Sc1nc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cs1)C(N)=O ZINC001181421687 1071373981 /nfs/dbraw/zinc/37/39/81/1071373981.db2.gz DWVDTNPAGHDJMQ-BTJLNZGRSA-N 1 0 414.553 -0.007 20 0 HBADRO C[C@H](Sc1nc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cs1)C(N)=O ZINC001181421688 1071373917 /nfs/dbraw/zinc/37/39/17/1071373917.db2.gz DWVDTNPAGHDJMQ-PLQHRBFRSA-N 1 0 414.553 -0.007 20 0 HBADRO COC(=O)[C@H]1CN(C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438237 1071375084 /nfs/dbraw/zinc/37/50/84/1071375084.db2.gz KLZYHWFEQHNUIC-QWHCGFSZSA-N 1 0 400.476 -0.149 20 0 HBADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438239 1071375140 /nfs/dbraw/zinc/37/51/40/1071375140.db2.gz KLZYHWFEQHNUIC-STQMWFEESA-N 1 0 400.476 -0.149 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001181440649 1071375681 /nfs/dbraw/zinc/37/56/81/1071375681.db2.gz XDYZORBMAKEAHU-NSHDSACASA-N 1 0 405.456 -0.800 20 0 HBADRO COC(=O)[C@@H]1C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001181473976 1071375179 /nfs/dbraw/zinc/37/51/79/1071375179.db2.gz GWZUZNMZHICUJY-NEPJUHHUSA-N 1 0 407.489 -0.078 20 0 HBADRO COC(=O)[C@H]1C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001181473980 1071374923 /nfs/dbraw/zinc/37/49/23/1071374923.db2.gz GWZUZNMZHICUJY-NWDGAFQWSA-N 1 0 407.489 -0.078 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001181473982 1071375019 /nfs/dbraw/zinc/37/50/19/1071375019.db2.gz GWZUZNMZHICUJY-RYUDHWBXSA-N 1 0 407.489 -0.078 20 0 HBADRO COC(=O)[C@H]1C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001181473984 1071374884 /nfs/dbraw/zinc/37/48/84/1071374884.db2.gz GWZUZNMZHICUJY-VXGBXAGGSA-N 1 0 407.489 -0.078 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CC1CCS(=O)(=O)CC1 ZINC001181539758 1071376582 /nfs/dbraw/zinc/37/65/82/1071376582.db2.gz HWLKENLZYNUSNK-UHFFFAOYSA-N 1 0 405.498 -0.177 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)CC2)C(=O)NCC(N)=O ZINC001181549342 1071377358 /nfs/dbraw/zinc/37/73/58/1071377358.db2.gz MRLQGWMVTKECMC-HOTGVXAUSA-N 1 0 421.542 -0.404 20 0 HBADRO CCOC(=O)C1(C(=O)NCCN(CC[NH3+])N(O)N=O)CN(C(=O)OC(C)(C)C)C1 ZINC001181579033 1071378777 /nfs/dbraw/zinc/37/87/77/1071378777.db2.gz IGXOKMAQWXLNPH-UHFFFAOYSA-N 1 0 418.451 -0.549 20 0 HBADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001181589881 1071378747 /nfs/dbraw/zinc/37/87/47/1071378747.db2.gz MSPODVQKPGWMGE-UHFFFAOYSA-N 1 0 415.335 -0.418 20 0 HBADRO O=C(c1ccc(=O)[nH]n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001181682929 1071379867 /nfs/dbraw/zinc/37/98/67/1071379867.db2.gz NWMMUVDHAWXAJJ-BFHYXJOUSA-N 1 0 416.463 -0.265 20 0 HBADRO O=C(c1ccc(=O)[nH]n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001181682931 1071379952 /nfs/dbraw/zinc/37/99/52/1071379952.db2.gz NWMMUVDHAWXAJJ-MELADBBJSA-N 1 0 416.463 -0.265 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(=O)[nH]n2)c2nonc21 ZINC001181701982 1071381148 /nfs/dbraw/zinc/38/11/48/1071381148.db2.gz GAXBWHNOVWVXDF-SECBINFHSA-N 1 0 407.412 -0.318 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(=O)[nH]n2)c2nonc21 ZINC001181701983 1071381219 /nfs/dbraw/zinc/38/12/19/1071381219.db2.gz GAXBWHNOVWVXDF-VIFPVBQESA-N 1 0 407.412 -0.318 20 0 HBADRO CC1(C)OC[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)O1 ZINC001181739008 1071381122 /nfs/dbraw/zinc/38/11/22/1071381122.db2.gz BYGGQYPZTSPZGU-RRFJBIMHSA-N 1 0 422.507 -0.031 20 0 HBADRO CC1(C)OC[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)O1 ZINC001181739009 1071381188 /nfs/dbraw/zinc/38/11/88/1071381188.db2.gz BYGGQYPZTSPZGU-SOUVJXGZSA-N 1 0 422.507 -0.031 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2COC(C)(C)O2)c2nonc21 ZINC001181748726 1071381642 /nfs/dbraw/zinc/38/16/42/1071381642.db2.gz VQMRBERCMAIHDV-LLVKDONJSA-N 1 0 413.456 -0.084 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC(C)(C)O2)c2nonc21 ZINC001181748728 1071381628 /nfs/dbraw/zinc/38/16/28/1071381628.db2.gz VQMRBERCMAIHDV-NSHDSACASA-N 1 0 413.456 -0.084 20 0 HBADRO CCOC(=O)CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001181787754 1071381736 /nfs/dbraw/zinc/38/17/36/1071381736.db2.gz GOLXGKIVRDTTSI-UONOGXRCSA-N 1 0 408.480 -0.229 20 0 HBADRO CC[C@H](CC(C)C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181842744 1071383324 /nfs/dbraw/zinc/38/33/24/1071383324.db2.gz MWCKAIGBYQQZBJ-JISVWNMTSA-N 1 0 408.459 -0.534 20 0 HBADRO CC[C@@H](CC(C)C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181842755 1071383303 /nfs/dbraw/zinc/38/33/03/1071383303.db2.gz MWCKAIGBYQQZBJ-ZOKLZRJQSA-N 1 0 408.459 -0.534 20 0 HBADRO CCC1(CC)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181887404 1071383365 /nfs/dbraw/zinc/38/33/65/1071383365.db2.gz HUYNNFHASVAAGR-GBPQWNHNSA-N 1 0 406.443 -0.780 20 0 HBADRO CCC1(CC)C[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181887406 1071383248 /nfs/dbraw/zinc/38/32/48/1071383248.db2.gz HUYNNFHASVAAGR-QALRIXGESA-N 1 0 406.443 -0.780 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)Cn1nc(Cl)ccc1=O ZINC001181890858 1071383289 /nfs/dbraw/zinc/38/32/89/1071383289.db2.gz IARSMALKEWQAJY-UHFFFAOYSA-N 1 0 401.832 -0.481 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)Cn2nc(Cl)ccc2=O)CC3)CC1 ZINC001181891366 1071383846 /nfs/dbraw/zinc/38/38/46/1071383846.db2.gz MZWJLSVXHVFQGG-UHFFFAOYSA-N 1 0 405.890 -0.117 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cn1nc(Cl)ccc1=O)CC2 ZINC001181891430 1071384007 /nfs/dbraw/zinc/38/40/07/1071384007.db2.gz NXZIAWHVVKOKMQ-UHFFFAOYSA-N 1 0 424.933 -0.407 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)Cn1nc(Cl)ccc1=O)CC2 ZINC001181892449 1071384038 /nfs/dbraw/zinc/38/40/38/1071384038.db2.gz WHXHCFDQXNWZKJ-UHFFFAOYSA-N 1 0 408.846 -0.239 20 0 HBADRO O=C(Cn1nc(Cl)ccc1=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001181896944 1071384686 /nfs/dbraw/zinc/38/46/86/1071384686.db2.gz VDJLTGJIEYMHDW-UHFFFAOYSA-N 1 0 411.871 -0.157 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1CC12CCCCC2 ZINC001181908519 1071384371 /nfs/dbraw/zinc/38/43/71/1071384371.db2.gz MDTXQQSZURMFEU-JISVWNMTSA-N 1 0 418.454 -0.636 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CC12CCCCC2 ZINC001181908525 1071384596 /nfs/dbraw/zinc/38/45/96/1071384596.db2.gz MDTXQQSZURMFEU-ZOKLZRJQSA-N 1 0 418.454 -0.636 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)C(=O)NCC(N)=O ZINC001181980182 1071385449 /nfs/dbraw/zinc/38/54/49/1071385449.db2.gz XTOLSNIAQSTNJE-IKGGRYGDSA-N 1 0 423.558 -0.160 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C1)C(=O)NCC(N)=O ZINC001181980183 1071385123 /nfs/dbraw/zinc/38/51/23/1071385123.db2.gz XTOLSNIAQSTNJE-ULQDDVLXSA-N 1 0 423.558 -0.160 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(C)CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001181984765 1071385108 /nfs/dbraw/zinc/38/51/08/1071385108.db2.gz NOBKJIJYXCBZBK-HOTGVXAUSA-N 1 0 423.558 -0.158 20 0 HBADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001181994131 1071385302 /nfs/dbraw/zinc/38/53/02/1071385302.db2.gz HGFVAJSSSYJXTA-ULQDDVLXSA-N 1 0 423.558 -0.016 20 0 HBADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001181994133 1071385335 /nfs/dbraw/zinc/38/53/35/1071385335.db2.gz HGFVAJSSSYJXTA-YESZJQIVSA-N 1 0 423.558 -0.016 20 0 HBADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001182010825 1071386735 /nfs/dbraw/zinc/38/67/35/1071386735.db2.gz NOVFYQMECPKPHE-LERJKICOSA-N 1 0 424.519 -0.141 20 0 HBADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182010826 1071386656 /nfs/dbraw/zinc/38/66/56/1071386656.db2.gz NOVFYQMECPKPHE-PRNMCOSDSA-N 1 0 424.519 -0.141 20 0 HBADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182010827 1071386584 /nfs/dbraw/zinc/38/65/84/1071386584.db2.gz NOVFYQMECPKPHE-QFIAKTPHSA-N 1 0 424.519 -0.141 20 0 HBADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001182010828 1071386743 /nfs/dbraw/zinc/38/67/43/1071386743.db2.gz NOVFYQMECPKPHE-VBXOEGAOSA-N 1 0 424.519 -0.141 20 0 HBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001182012767 1071386560 /nfs/dbraw/zinc/38/65/60/1071386560.db2.gz OGNQJHBHRDDQDA-SECBINFHSA-N 1 0 422.916 -0.085 20 0 HBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001182012768 1071386719 /nfs/dbraw/zinc/38/67/19/1071386719.db2.gz OGNQJHBHRDDQDA-VIFPVBQESA-N 1 0 422.916 -0.085 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NCC(N)=O ZINC001182015532 1071386645 /nfs/dbraw/zinc/38/66/45/1071386645.db2.gz XLLGVCXQEUUNAL-IKGGRYGDSA-N 1 0 421.542 -0.548 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NCC(N)=O ZINC001182015534 1071386772 /nfs/dbraw/zinc/38/67/72/1071386772.db2.gz XLLGVCXQEUUNAL-ULQDDVLXSA-N 1 0 421.542 -0.548 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC1 ZINC001182030678 1071385990 /nfs/dbraw/zinc/38/59/90/1071385990.db2.gz FHAKANRWPLYTGA-UHFFFAOYSA-N 1 0 403.483 -0.233 20 0 HBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182031021 1071385897 /nfs/dbraw/zinc/38/58/97/1071385897.db2.gz IQNDRUQSZAWJIK-KRWDZBQOSA-N 1 0 421.542 -0.349 20 0 HBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182031022 1071385966 /nfs/dbraw/zinc/38/59/66/1071385966.db2.gz IQNDRUQSZAWJIK-QGZVFWFLSA-N 1 0 421.542 -0.349 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC1 ZINC001182031101 1071385810 /nfs/dbraw/zinc/38/58/10/1071385810.db2.gz LUYPGRHLNIPJPW-UHFFFAOYSA-N 1 0 420.514 -0.394 20 0 HBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182031656 1071385824 /nfs/dbraw/zinc/38/58/24/1071385824.db2.gz OJGYTJJGKIZPJL-UHFFFAOYSA-N 1 0 404.515 -0.851 20 0 HBADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)C4(O)CC[NH+](C)CC4)CC[C@@H]32)cn1 ZINC001182031754 1071386008 /nfs/dbraw/zinc/38/60/08/1071386008.db2.gz PDDXFKIHJGATKU-YESZJQIVSA-N 1 0 405.499 -0.530 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001182032294 1071386020 /nfs/dbraw/zinc/38/60/20/1071386020.db2.gz TWBBDNWCZOVGRG-HNNXBMFYSA-N 1 0 413.482 -0.482 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001182032586 1071386071 /nfs/dbraw/zinc/38/60/71/1071386071.db2.gz TWBBDNWCZOVGRG-OAHLLOKOSA-N 1 0 413.482 -0.482 20 0 HBADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182032640 1071386041 /nfs/dbraw/zinc/38/60/41/1071386041.db2.gz UBBMXWIGQSSPMG-UHFFFAOYSA-N 1 0 415.498 -0.612 20 0 HBADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182032709 1071385873 /nfs/dbraw/zinc/38/58/73/1071385873.db2.gz ULXXBFCJAOAOIE-HNNXBMFYSA-N 1 0 405.499 -0.010 20 0 HBADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182032718 1071385918 /nfs/dbraw/zinc/38/59/18/1071385918.db2.gz ULXXBFCJAOAOIE-OAHLLOKOSA-N 1 0 405.499 -0.010 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC1 ZINC001182033645 1071385860 /nfs/dbraw/zinc/38/58/60/1071385860.db2.gz YMORVAOVRTXCFJ-BHYGNILZSA-N 1 0 403.483 -0.331 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC1 ZINC001182033647 1071385943 /nfs/dbraw/zinc/38/59/43/1071385943.db2.gz YMORVAOVRTXCFJ-DJIMGWMZSA-N 1 0 403.483 -0.331 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC1 ZINC001182033649 1071385912 /nfs/dbraw/zinc/38/59/12/1071385912.db2.gz YMORVAOVRTXCFJ-HYVNUMGLSA-N 1 0 403.483 -0.331 20 0 HBADRO C[NH+]1CCC(O)(C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)CC1 ZINC001182033652 1071386688 /nfs/dbraw/zinc/38/66/88/1071386688.db2.gz YMORVAOVRTXCFJ-USXIJHARSA-N 1 0 403.483 -0.331 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182033770 1071386705 /nfs/dbraw/zinc/38/67/05/1071386705.db2.gz ZGZIWCDOTMPWQV-FQEVSTJZSA-N 1 0 415.494 -0.296 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182033802 1071386724 /nfs/dbraw/zinc/38/67/24/1071386724.db2.gz ZGZIWCDOTMPWQV-HXUWFJFHSA-N 1 0 415.494 -0.296 20 0 HBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182033803 1071386628 /nfs/dbraw/zinc/38/66/28/1071386628.db2.gz ZJBFMLNRBPTODJ-UHFFFAOYSA-N 1 0 400.483 -0.050 20 0 HBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1(O)CC[NH+](C)CC1)C(N)=O ZINC001182036924 1071386672 /nfs/dbraw/zinc/38/66/72/1071386672.db2.gz MZHBKWOCNLPIFP-SJORKVTESA-N 1 0 420.510 -0.498 20 0 HBADRO C[C@H]1C(=O)OC[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182080946 1071387250 /nfs/dbraw/zinc/38/72/50/1071387250.db2.gz RCFCZPURRUNYDD-AQNFWKISSA-N 1 0 420.491 -0.373 20 0 HBADRO C[C@@H]1C(=O)OC[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182080950 1071387274 /nfs/dbraw/zinc/38/72/74/1071387274.db2.gz RCFCZPURRUNYDD-BSLXNSKLSA-N 1 0 420.491 -0.373 20 0 HBADRO C[C@@H]1C(=O)OC[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182080952 1071387266 /nfs/dbraw/zinc/38/72/66/1071387266.db2.gz RCFCZPURRUNYDD-FBUXBERBSA-N 1 0 420.491 -0.373 20 0 HBADRO C[C@H]1C(=O)OC[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182080954 1071387369 /nfs/dbraw/zinc/38/73/69/1071387369.db2.gz RCFCZPURRUNYDD-SDJAHQOYSA-N 1 0 420.491 -0.373 20 0 HBADRO C[C@H]1C(=O)OC[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182093063 1071391834 /nfs/dbraw/zinc/39/18/34/1071391834.db2.gz YOTGBOLAIVDXIF-NXEZZACHSA-N 1 0 411.440 -0.426 20 0 HBADRO C[C@@H]1C(=O)OC[C@@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182093064 1071391802 /nfs/dbraw/zinc/39/18/02/1071391802.db2.gz YOTGBOLAIVDXIF-UWVGGRQHSA-N 1 0 411.440 -0.426 20 0 HBADRO C[C@@H]1C(=O)OC[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182093065 1071391758 /nfs/dbraw/zinc/39/17/58/1071391758.db2.gz YOTGBOLAIVDXIF-VHSXEESVSA-N 1 0 411.440 -0.426 20 0 HBADRO C[C@H]1C(=O)OC[C@@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182093066 1071391684 /nfs/dbraw/zinc/39/16/84/1071391684.db2.gz YOTGBOLAIVDXIF-ZJUUUORDSA-N 1 0 411.440 -0.426 20 0 HBADRO CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182105055 1071392454 /nfs/dbraw/zinc/39/24/54/1071392454.db2.gz RYVUPFVPWDZUGC-NSHDSACASA-N 1 0 412.534 -0.547 20 0 HBADRO CC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001182122186 1071390027 /nfs/dbraw/zinc/39/00/27/1071390027.db2.gz UMGKXYWTNBSFET-HCXYKTFWSA-N 1 0 404.515 -0.133 20 0 HBADRO CC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001182122191 1071389919 /nfs/dbraw/zinc/38/99/19/1071389919.db2.gz UMGKXYWTNBSFET-XWSJACJDSA-N 1 0 404.515 -0.133 20 0 HBADRO CC(=O)N[C@@H](CCO)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001182122973 1071390586 /nfs/dbraw/zinc/39/05/86/1071390586.db2.gz YVCHNFTVPKACJQ-DOTOQJQBSA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@H](CCO)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001182122974 1071390575 /nfs/dbraw/zinc/39/05/75/1071390575.db2.gz YVCHNFTVPKACJQ-NVXWUHKLSA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@@H](CCO)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001182122975 1071390468 /nfs/dbraw/zinc/39/04/68/1071390468.db2.gz YVCHNFTVPKACJQ-RDJZCZTQSA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@H](CCO)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001182122976 1071390531 /nfs/dbraw/zinc/39/05/31/1071390531.db2.gz YVCHNFTVPKACJQ-WBVHZDCISA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@@H](CCO)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001182123809 1071390600 /nfs/dbraw/zinc/39/06/00/1071390600.db2.gz OZQTZFFXPBVIJK-INIZCTEOSA-N 1 0 410.496 -0.281 20 0 HBADRO CC(=O)N[C@H](CCO)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001182123810 1071391062 /nfs/dbraw/zinc/39/10/62/1071391062.db2.gz OZQTZFFXPBVIJK-MRXNPFEDSA-N 1 0 410.496 -0.281 20 0 HBADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001182125567 1071391253 /nfs/dbraw/zinc/39/12/53/1071391253.db2.gz DBUPTMZTUPGBMC-HNNXBMFYSA-N 1 0 414.488 -0.187 20 0 HBADRO CC(=O)N[C@@H](CCO)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001182134450 1071392236 /nfs/dbraw/zinc/39/22/36/1071392236.db2.gz HBPDKHQNGQDRBO-AWEZNQCLSA-N 1 0 413.438 -0.196 20 0 HBADRO CC(=O)N[C@H](CCO)C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001182134451 1071392997 /nfs/dbraw/zinc/39/29/97/1071392997.db2.gz HBPDKHQNGQDRBO-CQSZACIVSA-N 1 0 413.438 -0.196 20 0 HBADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@]1(C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001182156412 1071393832 /nfs/dbraw/zinc/39/38/32/1071393832.db2.gz LVPMALBWRJFXQI-NQIGUMTASA-N 1 0 404.511 -0.558 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CC1CC(=O)NC(=O)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001182160260 1071394357 /nfs/dbraw/zinc/39/43/57/1071394357.db2.gz JGWHKSCLXDMRGB-INIZCTEOSA-N 1 0 418.498 -0.204 20 0 HBADRO Cn1nnc2c1CCN(C(=O)CC1CC(=O)NC(=O)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001182160261 1071394493 /nfs/dbraw/zinc/39/44/93/1071394493.db2.gz JGWHKSCLXDMRGB-MRXNPFEDSA-N 1 0 418.498 -0.204 20 0 HBADRO COC(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182162687 1071395128 /nfs/dbraw/zinc/39/51/28/1071395128.db2.gz WUAPAYCNANXTGH-QWHCGFSZSA-N 1 0 409.468 -0.826 20 0 HBADRO COC(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182163709 1071395213 /nfs/dbraw/zinc/39/52/13/1071395213.db2.gz UQZLDSRQBJDHFN-UHFFFAOYSA-N 1 0 400.417 -0.879 20 0 HBADRO CC(=O)O[C@H]1CO[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)S1 ZINC001182205890 1071396224 /nfs/dbraw/zinc/39/62/24/1071396224.db2.gz CTSYBWTWOGCPMP-AEFFLSMTSA-N 1 0 409.512 -0.049 20 0 HBADRO CC(=O)O[C@H]1CO[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)S1 ZINC001182206001 1071396468 /nfs/dbraw/zinc/39/64/68/1071396468.db2.gz GNYJHCDWHFNOGJ-DYVFJYSZSA-N 1 0 412.468 -0.171 20 0 HBADRO CC(=O)O[C@H]1CO[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)S1 ZINC001182207273 1071397203 /nfs/dbraw/zinc/39/72/03/1071397203.db2.gz BIEJVXAMPIYKNG-ZBFHGGJFSA-N 1 0 415.493 -0.089 20 0 HBADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306595 1071401433 /nfs/dbraw/zinc/40/14/33/1071401433.db2.gz PKZAUFHKWBCJLP-AWEZNQCLSA-N 1 0 417.511 -0.018 20 0 HBADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306608 1071401395 /nfs/dbraw/zinc/40/13/95/1071401395.db2.gz PKZAUFHKWBCJLP-CQSZACIVSA-N 1 0 417.511 -0.018 20 0 HBADRO CC(C)N(C(=O)[C@H]1C[C@H]1C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001182375326 1071405412 /nfs/dbraw/zinc/40/54/12/1071405412.db2.gz SXLDWTYESQKPTA-CABCVRRESA-N 1 0 402.499 -0.136 20 0 HBADRO CC(C)N(C(=O)[C@H]1C[C@@H]1C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001182375328 1071405422 /nfs/dbraw/zinc/40/54/22/1071405422.db2.gz SXLDWTYESQKPTA-GJZGRUSLSA-N 1 0 402.499 -0.136 20 0 HBADRO CC(C)N(C(=O)[C@@H]1C[C@H]1C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001182375330 1071405527 /nfs/dbraw/zinc/40/55/27/1071405527.db2.gz SXLDWTYESQKPTA-HUUCEWRRSA-N 1 0 402.499 -0.136 20 0 HBADRO CC(C)N(C(=O)[C@@H]1C[C@@H]1C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001182375332 1071405347 /nfs/dbraw/zinc/40/53/47/1071405347.db2.gz SXLDWTYESQKPTA-LSDHHAIUSA-N 1 0 402.499 -0.136 20 0 HBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCCNc2cc[nH+]cc2)c1 ZINC001182433441 1071408800 /nfs/dbraw/zinc/40/88/00/1071408800.db2.gz GXPRJAFEYVLHTM-UHFFFAOYSA-N 1 0 412.493 -0.586 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182456377 1071414193 /nfs/dbraw/zinc/41/41/93/1071414193.db2.gz UXBTYSIJYNLGHI-GOSISDBHSA-N 1 0 419.570 -0.058 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182456380 1071414212 /nfs/dbraw/zinc/41/42/12/1071414212.db2.gz UXBTYSIJYNLGHI-SFHVURJKSA-N 1 0 419.570 -0.058 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182560104 1071424573 /nfs/dbraw/zinc/42/45/73/1071424573.db2.gz ARXHIARGHUWCLI-ULQDDVLXSA-N 1 0 402.499 -0.212 20 0 HBADRO CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001182574568 1071425450 /nfs/dbraw/zinc/42/54/50/1071425450.db2.gz WUNHREBFDRABNV-UHFFFAOYSA-N 1 0 423.532 -0.281 20 0 HBADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2([NH+](C)C)CC2)CC3)C1=O ZINC001182596205 1071425374 /nfs/dbraw/zinc/42/53/74/1071425374.db2.gz GENHQTMGQMRYQK-GOSISDBHSA-N 1 0 412.556 -0.187 20 0 HBADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2([NH+](C)C)CC2)CC3)C1=O ZINC001182596206 1071425146 /nfs/dbraw/zinc/42/51/46/1071425146.db2.gz GENHQTMGQMRYQK-SFHVURJKSA-N 1 0 412.556 -0.187 20 0 HBADRO CN(C)C1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001182597078 1071424435 /nfs/dbraw/zinc/42/44/35/1071424435.db2.gz ODAGZJAMUXSLNH-LSDHHAIUSA-N 1 0 405.524 -0.088 20 0 HBADRO CC(C)N(CC(=O)NCCN(CC[NH3+])N(O)N=O)S(=O)(=O)c1ccccc1 ZINC001182620786 1071427019 /nfs/dbraw/zinc/42/70/19/1071427019.db2.gz WLOSCMVAIMQHEV-UHFFFAOYSA-N 1 0 402.477 -0.250 20 0 HBADRO CC(C)(C)OC(=O)NC[C@H](O)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001182626444 1071425526 /nfs/dbraw/zinc/42/55/26/1071425526.db2.gz ASKXZCULSMJZHF-INIZCTEOSA-N 1 0 409.487 -0.171 20 0 HBADRO CC(C)(C)OC(=O)NC[C@H](O)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001182628363 1071426124 /nfs/dbraw/zinc/42/61/24/1071426124.db2.gz NSIKDMUETUZBHK-LBPRGKRZSA-N 1 0 418.472 -0.506 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC3)CC1 ZINC001182628785 1071426176 /nfs/dbraw/zinc/42/61/76/1071426176.db2.gz RWFPKQLFYFEBHW-INIZCTEOSA-N 1 0 422.530 -0.142 20 0 HBADRO Cn1c2ccc(NC(=O)CCC(=O)NCC3(O)CC[NH+](C)CC3)nc2n(C)c1=O ZINC001182689561 1071427769 /nfs/dbraw/zinc/42/77/69/1071427769.db2.gz XQDAIBVCXGHNHB-UHFFFAOYSA-N 1 0 404.471 -0.436 20 0 HBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC001182721629 1071427779 /nfs/dbraw/zinc/42/77/79/1071427779.db2.gz XJBLFCPYTYSFPH-CYBMUJFWSA-N 1 0 404.471 -0.172 20 0 HBADRO COCC[N@@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC001182721630 1071427749 /nfs/dbraw/zinc/42/77/49/1071427749.db2.gz XJBLFCPYTYSFPH-ZDUSSCGKSA-N 1 0 404.471 -0.172 20 0 HBADRO O=C(CCC1OCCO1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182728485 1071428398 /nfs/dbraw/zinc/42/83/98/1071428398.db2.gz QTKQZSKPJIWPQS-LSDHHAIUSA-N 1 0 422.507 -0.029 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cc1cn3cccnc3n1)CC2 ZINC001182732227 1071429199 /nfs/dbraw/zinc/42/91/99/1071429199.db2.gz ZULXEGGKOIRVPQ-UHFFFAOYSA-N 1 0 413.526 -0.031 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCC2OCCO2)c2nonc21 ZINC001182733358 1071429061 /nfs/dbraw/zinc/42/90/61/1071429061.db2.gz LVOHOVDJKSUAOW-UHFFFAOYSA-N 1 0 413.456 -0.082 20 0 HBADRO CC(C)N(C(=O)C1CS(=O)(=O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001182814425 1071430727 /nfs/dbraw/zinc/43/07/27/1071430727.db2.gz ZWXVFKPZEKMRES-UHFFFAOYSA-N 1 0 423.539 -0.213 20 0 HBADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)C1CS(=O)(=O)C1 ZINC001182815839 1071431571 /nfs/dbraw/zinc/43/15/71/1071431571.db2.gz OISOGCVNJXMZDF-UHFFFAOYSA-N 1 0 402.436 -0.039 20 0 HBADRO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182815964 1071431495 /nfs/dbraw/zinc/43/14/95/1071431495.db2.gz RAALLNZMAREXTL-KDUQRTNCSA-N 1 0 421.560 -0.673 20 0 HBADRO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182815971 1071431562 /nfs/dbraw/zinc/43/15/62/1071431562.db2.gz RAALLNZMAREXTL-XMSFWSCYSA-N 1 0 421.560 -0.673 20 0 HBADRO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182815972 1071431523 /nfs/dbraw/zinc/43/15/23/1071431523.db2.gz RAALLNZMAREXTL-YIIZKNBGSA-N 1 0 421.560 -0.673 20 0 HBADRO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182815973 1071431449 /nfs/dbraw/zinc/43/14/49/1071431449.db2.gz RAALLNZMAREXTL-YLVYSCNESA-N 1 0 421.560 -0.673 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CCOC[C@H]2C[NH+](C)C)c(=O)[nH]1 ZINC001182831066 1071432936 /nfs/dbraw/zinc/43/29/36/1071432936.db2.gz PBDFMPSWNBEFJN-GFCCVEGCSA-N 1 0 405.459 -0.085 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CCOC[C@@H]2C[NH+](C)C)c(=O)[nH]1 ZINC001182831067 1071432806 /nfs/dbraw/zinc/43/28/06/1071432806.db2.gz PBDFMPSWNBEFJN-LBPRGKRZSA-N 1 0 405.459 -0.085 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N(c2ncccn2)C2C[NH2+]C2)c(=O)[nH]1 ZINC001182831266 1071432924 /nfs/dbraw/zinc/43/29/24/1071432924.db2.gz QCOSGIMQYGEMSP-UHFFFAOYSA-N 1 0 411.426 -0.079 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCCN2CCC[N@H+](C)CC2)c(=O)[nH]1 ZINC001182833959 1071433599 /nfs/dbraw/zinc/43/35/99/1071433599.db2.gz QOZSNCOZHXFZEU-UHFFFAOYSA-N 1 0 418.502 -0.120 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCCN2CCOC[C@H]2C)c(=O)[nH]1 ZINC001182834095 1071433582 /nfs/dbraw/zinc/43/35/82/1071433582.db2.gz CCSUAACYSYPDKS-GFCCVEGCSA-N 1 0 405.459 -0.037 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCCN2CCOC[C@@H]2C)c(=O)[nH]1 ZINC001182834144 1071433569 /nfs/dbraw/zinc/43/35/69/1071433569.db2.gz CCSUAACYSYPDKS-LBPRGKRZSA-N 1 0 405.459 -0.037 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182835722 1071433620 /nfs/dbraw/zinc/43/36/20/1071433620.db2.gz VAOYICJWSSNXLK-UHFFFAOYSA-N 1 0 407.431 -0.523 20 0 HBADRO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NC2(CO)CC[NH+](C)CC2)c(=O)[nH]1 ZINC001182835737 1071433699 /nfs/dbraw/zinc/43/36/99/1071433699.db2.gz VROYMSMNNDKIBS-UHFFFAOYSA-N 1 0 405.459 -0.301 20 0 HBADRO [NH3+]CCN(CCNC(=O)CC[C@H]1NC(=S)N(c2ccccc2)C1=O)N(O)N=O ZINC001182854142 1071434494 /nfs/dbraw/zinc/43/44/94/1071434494.db2.gz COVGVXUHQBJTMV-CYBMUJFWSA-N 1 0 409.472 -0.279 20 0 HBADRO [NH3+]CCN(CCNC(=O)CC[C@@H]1NC(=S)N(c2ccccc2)C1=O)N(O)N=O ZINC001182854148 1071434505 /nfs/dbraw/zinc/43/45/05/1071434505.db2.gz COVGVXUHQBJTMV-ZDUSSCGKSA-N 1 0 409.472 -0.279 20 0 HBADRO CC(C)N1CC[C@H]1C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001182870123 1071435167 /nfs/dbraw/zinc/43/51/67/1071435167.db2.gz TVDWDGGUUJBZNJ-YCOMJZELSA-N 1 0 419.486 -0.890 20 0 HBADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001182872719 1071435121 /nfs/dbraw/zinc/43/51/21/1071435121.db2.gz ICYCGIUMBNNDGC-JTQLQIEISA-N 1 0 408.868 -0.329 20 0 HBADRO CN(CC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)S(C)(=O)=O ZINC001182877712 1071435922 /nfs/dbraw/zinc/43/59/22/1071435922.db2.gz OOJKALHASDGTEU-UHFFFAOYSA-N 1 0 416.525 -0.277 20 0 HBADRO CN(CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)S(C)(=O)=O ZINC001182877903 1071435932 /nfs/dbraw/zinc/43/59/32/1071435932.db2.gz ABKFQRDAHNUJGT-IKGGRYGDSA-N 1 0 410.544 -0.129 20 0 HBADRO CN(CC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)S(C)(=O)=O ZINC001182878339 1071436524 /nfs/dbraw/zinc/43/65/24/1071436524.db2.gz PNMQOJWYJVAHRI-HNNXBMFYSA-N 1 0 414.532 -0.755 20 0 HBADRO CN(CC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)S(C)(=O)=O ZINC001182878340 1071436483 /nfs/dbraw/zinc/43/64/83/1071436483.db2.gz PNMQOJWYJVAHRI-OAHLLOKOSA-N 1 0 414.532 -0.755 20 0 HBADRO CN(CC(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)S(C)(=O)=O ZINC001182878764 1071437223 /nfs/dbraw/zinc/43/72/23/1071437223.db2.gz YPDNUCJHXGGWGN-SJLPKXTDSA-N 1 0 402.561 -0.335 20 0 HBADRO CN(CC(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N)S(C)(=O)=O ZINC001182879777 1071437231 /nfs/dbraw/zinc/43/72/31/1071437231.db2.gz HZZJWVLMTYAFFQ-UHFFFAOYSA-N 1 0 419.467 -0.192 20 0 HBADRO CN(CC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1)S(C)(=O)=O ZINC001182880111 1071437822 /nfs/dbraw/zinc/43/78/22/1071437822.db2.gz VGTSSXUMKUHQHO-KGLIPLIRSA-N 1 0 404.533 -0.065 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CNC(=O)c1ccc(O)cc1)CC2 ZINC001182970916 1071439918 /nfs/dbraw/zinc/43/99/18/1071439918.db2.gz DBJVSIYSQSFSBL-UHFFFAOYSA-N 1 0 415.450 -0.014 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CNC(=O)c1ccc(O)cc1 ZINC001182971797 1071439970 /nfs/dbraw/zinc/43/99/70/1071439970.db2.gz QGHSKWRKCXBRDT-UHFFFAOYSA-N 1 0 408.436 -0.256 20 0 HBADRO CC(C)N(C(=O)[C@H]1CCNC1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001183002772 1071439757 /nfs/dbraw/zinc/43/97/57/1071439757.db2.gz WYTNSMXPFFGADK-HNNXBMFYSA-N 1 0 402.499 -0.121 20 0 HBADRO CC(C)N(C(=O)[C@@H]1CCNC1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001183002773 1071439913 /nfs/dbraw/zinc/43/99/13/1071439913.db2.gz WYTNSMXPFFGADK-OAHLLOKOSA-N 1 0 402.499 -0.121 20 0 HBADRO CS(=O)(=O)N1CC(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1 ZINC001183019772 1071444831 /nfs/dbraw/zinc/44/48/31/1071444831.db2.gz CKMJNBLVJQYUEC-NJAFHUGGSA-N 1 0 422.555 -0.129 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CN(S(C)(=O)=O)C1)CCC2 ZINC001183020094 1071444967 /nfs/dbraw/zinc/44/49/67/1071444967.db2.gz HCZOGUCKBRMCNP-UHFFFAOYSA-N 1 0 411.528 -0.293 20 0 HBADRO Cc1ccc(N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001183020691 1071445522 /nfs/dbraw/zinc/44/55/22/1071445522.db2.gz HWEIMAAYKHGUBA-CRAIPNDOSA-N 1 0 409.512 -0.079 20 0 HBADRO Cc1ccc(N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001183020692 1071445500 /nfs/dbraw/zinc/44/55/00/1071445500.db2.gz HWEIMAAYKHGUBA-MAUKXSAKSA-N 1 0 409.512 -0.079 20 0 HBADRO Cc1ccc(N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001183020693 1071445533 /nfs/dbraw/zinc/44/55/33/1071445533.db2.gz HWEIMAAYKHGUBA-QAPCUYQASA-N 1 0 409.512 -0.079 20 0 HBADRO Cc1ccc(N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001183020695 1071445490 /nfs/dbraw/zinc/44/54/90/1071445490.db2.gz HWEIMAAYKHGUBA-YJBOKZPZSA-N 1 0 409.512 -0.079 20 0 HBADRO CS(=O)(=O)N1CC(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C1 ZINC001183021599 1071446842 /nfs/dbraw/zinc/44/68/42/1071446842.db2.gz VECJKSPTBSYOIH-UHFFFAOYSA-N 1 0 404.496 -0.152 20 0 HBADRO CS(=O)(=O)N1CC(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C1 ZINC001183021880 1071446806 /nfs/dbraw/zinc/44/68/06/1071446806.db2.gz SRUMAXYAEPYRME-UHFFFAOYSA-N 1 0 405.484 -0.409 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C4CN(S(C)(=O)=O)C4)C3)O2)CC1 ZINC001183022004 1071446772 /nfs/dbraw/zinc/44/67/72/1071446772.db2.gz VOAHRRWSYYHLAH-IEBWSBKVSA-N 1 0 414.572 -0.335 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C3CN(S(C)(=O)=O)C3)C[C@H]2C1 ZINC001183024877 1071447444 /nfs/dbraw/zinc/44/74/44/1071447444.db2.gz WHZVCAIMIBZKGM-HIFRSBDPSA-N 1 0 416.544 -0.065 20 0 HBADRO CC(C)N(C(=O)[C@@H]1CN(C)C(=O)N1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001183070313 1071449669 /nfs/dbraw/zinc/44/96/69/1071449669.db2.gz MIUUXDVJPJNHEG-INIZCTEOSA-N 1 0 417.514 -0.234 20 0 HBADRO CC(=O)N1CSC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001183139191 1071450269 /nfs/dbraw/zinc/45/02/69/1071450269.db2.gz BWIFMSUMKIDJPT-INIZCTEOSA-N 1 0 411.572 -0.395 20 0 HBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC([NH+](C)C)C2)c2ccccc2)C(=O)C1=O ZINC001183153601 1071450960 /nfs/dbraw/zinc/45/09/60/1071450960.db2.gz MLGHIUVWZFGEMJ-MRXNPFEDSA-N 1 0 401.467 -0.100 20 0 HBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC3(C2)C[NH+](C)C3)c2ccccc2)C(=O)C1=O ZINC001183155093 1071451647 /nfs/dbraw/zinc/45/16/47/1071451647.db2.gz OWEKBODFFWDNBL-MRXNPFEDSA-N 1 0 413.478 -0.098 20 0 HBADRO CCN1CCN(C(=O)N[C@@H](C(=O)NC(=N)SCC[NH3+])c2ccccc2)C(=O)C1=O ZINC001183155150 1071451712 /nfs/dbraw/zinc/45/17/12/1071451712.db2.gz CJJQFZWARBPPGD-CYBMUJFWSA-N 1 0 420.495 -0.129 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)NC(CO)(CO)CO)CC2)C1 ZINC001183156157 1071452329 /nfs/dbraw/zinc/45/23/29/1071452329.db2.gz DFAUWKYTALKESK-HNNXBMFYSA-N 1 0 401.504 -0.460 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)NC(CO)(CO)CO)CC2)C1 ZINC001183156158 1071452465 /nfs/dbraw/zinc/45/24/65/1071452465.db2.gz DFAUWKYTALKESK-OAHLLOKOSA-N 1 0 401.504 -0.460 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)CC2)C1 ZINC001183158966 1071453150 /nfs/dbraw/zinc/45/31/50/1071453150.db2.gz GOOXHJXBFNGESF-LUKYLMHMSA-N 1 0 423.562 -0.773 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)CC2)C1 ZINC001183158980 1071452986 /nfs/dbraw/zinc/45/29/86/1071452986.db2.gz GOOXHJXBFNGESF-QAETUUGQSA-N 1 0 423.562 -0.773 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)CC2)C1 ZINC001183158981 1071453094 /nfs/dbraw/zinc/45/30/94/1071453094.db2.gz GOOXHJXBFNGESF-VVLHAWIVSA-N 1 0 423.562 -0.773 20 0 HBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)CC2)C1 ZINC001183158982 1071453134 /nfs/dbraw/zinc/45/31/34/1071453134.db2.gz GOOXHJXBFNGESF-YVSFHVDLSA-N 1 0 423.562 -0.773 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)NCC(N)=O ZINC001183361792 1071457539 /nfs/dbraw/zinc/45/75/39/1071457539.db2.gz ATTUAUUTTNBFGZ-YQQAZPJKSA-N 1 0 411.547 -0.304 20 0 HBADRO CC(C)[C@H](C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO)[NH+](C)C ZINC001183366006 1071457658 /nfs/dbraw/zinc/45/76/58/1071457658.db2.gz QZFGTMJOPWJXNQ-FSVZYJJUSA-N 1 0 421.502 -0.786 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)NCC(N)=O ZINC001183373369 1071457531 /nfs/dbraw/zinc/45/75/31/1071457531.db2.gz YNHSXPPZJVIYET-FZKCQIBNSA-N 1 0 409.531 -0.550 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001183373501 1071457558 /nfs/dbraw/zinc/45/75/58/1071457558.db2.gz WDUPMEWOBBHLLS-DMRKSPOLSA-N 1 0 413.540 -0.553 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001183373502 1071457480 /nfs/dbraw/zinc/45/74/80/1071457480.db2.gz WDUPMEWOBBHLLS-ZHCJQAHYSA-N 1 0 413.540 -0.553 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)C1 ZINC001183374558 1071457675 /nfs/dbraw/zinc/45/76/75/1071457675.db2.gz CKIZHBNDODKVJJ-DCADGKSPSA-N 1 0 412.508 -0.143 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1 ZINC001183374559 1071457587 /nfs/dbraw/zinc/45/75/87/1071457587.db2.gz CKIZHBNDODKVJJ-KFMZJLTQSA-N 1 0 412.508 -0.143 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C1 ZINC001183374560 1071457676 /nfs/dbraw/zinc/45/76/76/1071457676.db2.gz CKIZHBNDODKVJJ-NIBKPTJBSA-N 1 0 412.508 -0.143 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)C1 ZINC001183374561 1071457623 /nfs/dbraw/zinc/45/76/23/1071457623.db2.gz CKIZHBNDODKVJJ-WEXKBUBRSA-N 1 0 412.508 -0.143 20 0 HBADRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001183375081 1071458268 /nfs/dbraw/zinc/45/82/68/1071458268.db2.gz PMINSRJVOACPRV-OCAPTIKFSA-N 1 0 410.905 -0.087 20 0 HBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)NCC[NH2+]CCO ZINC001183416261 1071458469 /nfs/dbraw/zinc/45/84/69/1071458469.db2.gz PSLVPIBTDMAAER-JTDSTZFVSA-N 1 0 420.535 -0.526 20 0 HBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001183416444 1071459014 /nfs/dbraw/zinc/45/90/14/1071459014.db2.gz SXKDWDFINCHWRU-RVKKMQEKSA-N 1 0 418.519 -0.380 20 0 HBADRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N(CC[NH3+])S(C)(=O)=O)=C([C@H]3CCCO3)S[C@H]12 ZINC001183455581 1071459753 /nfs/dbraw/zinc/45/97/53/1071459753.db2.gz WEFGMWABBBDCPQ-KFRQHLNQSA-N 1 0 405.498 -0.964 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183462016 1071461152 /nfs/dbraw/zinc/46/11/52/1071461152.db2.gz NCQWTFYJHDAEGT-ICVPUUMASA-N 1 0 413.496 -0.361 20 0 HBADRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)NC3(CO)CC[NH+](C)CC3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183463635 1071461137 /nfs/dbraw/zinc/46/11/37/1071461137.db2.gz LDPKJFXIOJGMDA-ZIVKBKJYSA-N 1 0 411.524 -0.138 20 0 HBADRO CC(C)(C)OC(=O)N[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1CCOCC1 ZINC001183524200 1071461118 /nfs/dbraw/zinc/46/11/18/1071461118.db2.gz CPONVLVMYLQNDO-ZDUSSCGKSA-N 1 0 404.468 -0.029 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=C[C@](C)(O)C=C[C@@H]1O)[C@H]2COCC[NH+]1CCCC1 ZINC001183534719 1071463970 /nfs/dbraw/zinc/46/39/70/1071463970.db2.gz CVGOUGPRKRKWQU-BBTUJRGHSA-N 1 0 417.510 -0.039 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=C[C@](C)(O)C=C[C@H]1O)[C@@H]2COCC[NH+]1CCCC1 ZINC001183534721 1071463992 /nfs/dbraw/zinc/46/39/92/1071463992.db2.gz CVGOUGPRKRKWQU-DBXWQHBBSA-N 1 0 417.510 -0.039 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=C[C@](C)(O)C=C[C@@H]1O)[C@@H]2COCC[NH+]1CCCC1 ZINC001183534723 1071464204 /nfs/dbraw/zinc/46/42/04/1071464204.db2.gz CVGOUGPRKRKWQU-LVCYWYKZSA-N 1 0 417.510 -0.039 20 0 HBADRO Cn1nnc2c1CCN(C(=O)C1=C[C@](C)(O)C=C[C@H]1O)[C@H]2COCC[NH+]1CCCC1 ZINC001183534725 1071464124 /nfs/dbraw/zinc/46/41/24/1071464124.db2.gz CVGOUGPRKRKWQU-WAOWUJCRSA-N 1 0 417.510 -0.039 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=C[C@](C)(O)C=C[C@@H]1O)CC2 ZINC001183536093 1071464144 /nfs/dbraw/zinc/46/41/44/1071464144.db2.gz GRTGZWVLRASVMD-FXAWDEMLSA-N 1 0 406.527 -0.709 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=C[C@@](C)(O)C=C[C@@H]1O)CC2 ZINC001183536096 1071464105 /nfs/dbraw/zinc/46/41/05/1071464105.db2.gz GRTGZWVLRASVMD-PXNSSMCTSA-N 1 0 406.527 -0.709 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=C[C@@](C)(O)C=C[C@H]1O)CC2 ZINC001183536098 1071464036 /nfs/dbraw/zinc/46/40/36/1071464036.db2.gz GRTGZWVLRASVMD-XLIONFOSSA-N 1 0 406.527 -0.709 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=C[C@](C)(O)C=C[C@H]1O)CC2 ZINC001183536101 1071463999 /nfs/dbraw/zinc/46/39/99/1071463999.db2.gz GRTGZWVLRASVMD-YLJYHZDGSA-N 1 0 406.527 -0.709 20 0 HBADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3nnc4n3CCNC4=O)CC2)cc1 ZINC001183551925 1071463294 /nfs/dbraw/zinc/46/32/94/1071463294.db2.gz VOPOZMVKVKLANI-UHFFFAOYSA-N 1 0 420.495 -0.027 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)C(=O)NCC(N)=O ZINC001183557879 1071463390 /nfs/dbraw/zinc/46/33/90/1071463390.db2.gz XMBLZRNHRIXBGP-HOTGVXAUSA-N 1 0 421.542 -0.262 20 0 HBADRO CC1(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CCS(=O)(=O)CC1 ZINC001183630371 1071466458 /nfs/dbraw/zinc/46/64/58/1071466458.db2.gz MBZFIVJIRZNZBL-UHFFFAOYSA-N 1 0 405.498 -0.177 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CNC(=O)c2cc(Cl)ccn2)CC1=O ZINC001183648162 1071465547 /nfs/dbraw/zinc/46/55/47/1071465547.db2.gz URGHZCJNXJXZJR-AWEZNQCLSA-N 1 0 411.890 -0.240 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CNC(=O)c2cc(Cl)ccn2)CC1=O ZINC001183648163 1071465661 /nfs/dbraw/zinc/46/56/61/1071465661.db2.gz URGHZCJNXJXZJR-CQSZACIVSA-N 1 0 411.890 -0.240 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001183655914 1071468015 /nfs/dbraw/zinc/46/80/15/1071468015.db2.gz XXYONIYHVPALBC-UHFFFAOYSA-N 1 0 401.358 -0.255 20 0 HBADRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)CCC2 ZINC001183656296 1071468064 /nfs/dbraw/zinc/46/80/64/1071468064.db2.gz HBLNHHJBGQQMLF-UHFFFAOYSA-N 1 0 408.434 -0.205 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001183656427 1071468797 /nfs/dbraw/zinc/46/87/97/1071468797.db2.gz IQBWOYJEQGHDAB-UHFFFAOYSA-N 1 0 414.401 -0.199 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001183656885 1071468597 /nfs/dbraw/zinc/46/85/97/1071468597.db2.gz LWQPOWQTCLWAFN-SGMGOOAPSA-N 1 0 404.402 -0.464 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CC3)CC1 ZINC001183658003 1071469594 /nfs/dbraw/zinc/46/95/94/1071469594.db2.gz RKVNIGGFFPMJHX-UHFFFAOYSA-N 1 0 405.434 -0.926 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)Cn4cc(F)c(=O)[nH]c4=O)C3)O2)CC1 ZINC001183658078 1071469721 /nfs/dbraw/zinc/46/97/21/1071469721.db2.gz SLMUOQSGCQWFNG-FOIQADDNSA-N 1 0 423.489 -0.124 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183658519 1071469734 /nfs/dbraw/zinc/46/97/34/1071469734.db2.gz UWUKDMURXGJWSM-CABCVRRESA-N 1 0 403.414 -0.015 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001183658520 1071469539 /nfs/dbraw/zinc/46/95/39/1071469539.db2.gz UWUKDMURXGJWSM-GJZGRUSLSA-N 1 0 403.414 -0.015 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183658521 1071469748 /nfs/dbraw/zinc/46/97/48/1071469748.db2.gz UWUKDMURXGJWSM-HUUCEWRRSA-N 1 0 403.414 -0.015 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001183658522 1071469693 /nfs/dbraw/zinc/46/96/93/1071469693.db2.gz UWUKDMURXGJWSM-LSDHHAIUSA-N 1 0 403.414 -0.015 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)CCC2 ZINC001183658716 1071470348 /nfs/dbraw/zinc/47/03/48/1071470348.db2.gz WWBOORJIFYBAJC-UHFFFAOYSA-N 1 0 420.445 -0.083 20 0 HBADRO [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CC1 ZINC001183663969 1071471134 /nfs/dbraw/zinc/47/11/34/1071471134.db2.gz INLIEJWWHKOJOL-UHFFFAOYSA-N 1 0 403.414 -0.276 20 0 HBADRO O=C(Cn1cc(F)c(=O)[nH]c1=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001183664220 1071471251 /nfs/dbraw/zinc/47/12/51/1071471251.db2.gz LIYBIJFUESVRJV-UHFFFAOYSA-N 1 0 411.415 -0.966 20 0 HBADRO CC[C@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1=O ZINC001183667698 1071466490 /nfs/dbraw/zinc/46/64/90/1071466490.db2.gz NVLADSSGHMQFID-KRWDZBQOSA-N 1 0 407.559 -0.058 20 0 HBADRO CC[C@@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1=O ZINC001183667699 1071466351 /nfs/dbraw/zinc/46/63/51/1071466351.db2.gz NVLADSSGHMQFID-QGZVFWFLSA-N 1 0 407.559 -0.058 20 0 HBADRO CC(=O)N[C@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)[C@@H](C)O ZINC001183699050 1071477832 /nfs/dbraw/zinc/47/78/32/1071477832.db2.gz REHVGJYKMWXNOI-COXVUDFISA-N 1 0 408.503 -0.761 20 0 HBADRO CC(=O)N[C@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)[C@@H](C)O ZINC001183699051 1071477767 /nfs/dbraw/zinc/47/77/67/1071477767.db2.gz REHVGJYKMWXNOI-XYPHTWIQSA-N 1 0 408.503 -0.761 20 0 HBADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)[C@@H](C)O ZINC001183699438 1071478337 /nfs/dbraw/zinc/47/83/37/1071478337.db2.gz VHNPZWZMRKOCOS-UVMNYOIOSA-N 1 0 404.515 -0.135 20 0 HBADRO CC(=O)N[C@H](C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@@H](C)O ZINC001183699868 1071478320 /nfs/dbraw/zinc/47/83/20/1071478320.db2.gz ZXKYSHCZSIFWBJ-PXAZEXFGSA-N 1 0 410.496 -0.283 20 0 HBADRO CC(=O)N[C@H](C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N)[C@@H](C)O ZINC001183702569 1071472205 /nfs/dbraw/zinc/47/22/05/1071472205.db2.gz MJPGGLPEJUUPNE-YGRLFVJLSA-N 1 0 413.438 -0.198 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001183711787 1071472196 /nfs/dbraw/zinc/47/21/96/1071472196.db2.gz XWBNDNQVIVEJIX-RYUDHWBXSA-N 1 0 406.505 -0.363 20 0 HBADRO Cc1ccc(N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001183718912 1071474604 /nfs/dbraw/zinc/47/46/04/1071474604.db2.gz RKUUFSFXTCNVQC-BIENJYKASA-N 1 0 402.455 -0.966 20 0 HBADRO Cc1ccc(N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001183718917 1071474584 /nfs/dbraw/zinc/47/45/84/1071474584.db2.gz RKUUFSFXTCNVQC-CKFHNAJUSA-N 1 0 402.455 -0.966 20 0 HBADRO Cc1ccc(N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001183718922 1071474535 /nfs/dbraw/zinc/47/45/35/1071474535.db2.gz RKUUFSFXTCNVQC-NJSLBKSFSA-N 1 0 402.455 -0.966 20 0 HBADRO Cc1ccc(N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001183718926 1071474512 /nfs/dbraw/zinc/47/45/12/1071474512.db2.gz RKUUFSFXTCNVQC-TYILLQQXSA-N 1 0 402.455 -0.966 20 0 HBADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)CC[C@@H]21 ZINC001183719083 1071474474 /nfs/dbraw/zinc/47/44/74/1071474474.db2.gz SEXSWPOKPGRUCH-QZWWFDLISA-N 1 0 402.499 -0.412 20 0 HBADRO O=C(C[C@@H]1NC(=O)CNC1=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001183719414 1071475225 /nfs/dbraw/zinc/47/52/25/1071475225.db2.gz VPZQAHCQNFMUGY-HNNXBMFYSA-N 1 0 413.482 -0.777 20 0 HBADRO O=C(C[C@@H]1NC(=O)CNC1=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001183719818 1071475196 /nfs/dbraw/zinc/47/51/96/1071475196.db2.gz XVHLBHCTADOKLM-HNNXBMFYSA-N 1 0 423.477 -0.629 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C[C@@H]3NC(=O)CNC3=O)C[C@H]2C1 ZINC001183726953 1071476198 /nfs/dbraw/zinc/47/61/98/1071476198.db2.gz MQZSYPDZVVXZMR-RDBSUJKOSA-N 1 0 409.487 -0.952 20 0 HBADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)CC1 ZINC001183728052 1071476957 /nfs/dbraw/zinc/47/69/57/1071476957.db2.gz FMJXUWQTOYEYFP-CABCVRRESA-N 1 0 423.514 -0.419 20 0 HBADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)CC1 ZINC001183728053 1071476846 /nfs/dbraw/zinc/47/68/46/1071476846.db2.gz FMJXUWQTOYEYFP-GJZGRUSLSA-N 1 0 423.514 -0.419 20 0 HBADRO O=C(C[C@@H]1NC(=O)CNC1=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001183729169 1071476976 /nfs/dbraw/zinc/47/69/76/1071476976.db2.gz OUWTZXXIFFHNQV-JTQLQIEISA-N 1 0 400.361 -0.415 20 0 HBADRO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C[C@@H]2NC(=O)CNC2=O)S(C)(=O)=O)c(F)c1 ZINC001183730887 1071477774 /nfs/dbraw/zinc/47/77/74/1071477774.db2.gz YQMIUEHMXUPDQK-HQJQHLMTSA-N 1 0 404.395 -0.718 20 0 HBADRO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3NC(=O)CNC3=O)CC2)c1 ZINC001183731665 1071477793 /nfs/dbraw/zinc/47/77/93/1071477793.db2.gz MXWQYLUSSYXIDC-INIZCTEOSA-N 1 0 402.451 -0.442 20 0 HBADRO Cc1cnc2c(N(CC[NH3+])C(=O)C[C@@H]3NC(=O)CNC3=O)nc3ccc(C)cc3n12 ZINC001183732397 1071477821 /nfs/dbraw/zinc/47/78/21/1071477821.db2.gz XVDSVACMJSDNAQ-AWEZNQCLSA-N 1 0 409.450 -0.204 20 0 HBADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[C@@H]3NC(=O)CNC3=O)cc2)CC1 ZINC001183732416 1071477815 /nfs/dbraw/zinc/47/78/15/1071477815.db2.gz YTJOFNHSZBNICL-WOICTCIZSA-N 1 0 401.467 -0.286 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@]2(CO)COCCN2C)CC1 ZINC001183843221 1071480565 /nfs/dbraw/zinc/48/05/65/1071480565.db2.gz ICXZPEUHDVDQPZ-KRWDZBQOSA-N 1 0 401.533 -0.538 20 0 HBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@]2(CO)COCCN2C)CC1 ZINC001183843230 1071480873 /nfs/dbraw/zinc/48/08/73/1071480873.db2.gz ICXZPEUHDVDQPZ-QGZVFWFLSA-N 1 0 401.533 -0.538 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897560 1071481403 /nfs/dbraw/zinc/48/14/03/1071481403.db2.gz RKLVJAAEVSKDLC-GHTZIAJQSA-N 1 0 405.495 -0.017 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897564 1071481522 /nfs/dbraw/zinc/48/15/22/1071481522.db2.gz RKLVJAAEVSKDLC-NQIIRXRSSA-N 1 0 405.495 -0.017 20 0 HBADRO CC(C)(CC1CCC1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001183938083 1071482140 /nfs/dbraw/zinc/48/21/40/1071482140.db2.gz VZACFXDKIGVFMQ-QQHRNGFRSA-N 1 0 420.470 -0.390 20 0 HBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1=Cc2ccccc2C1 ZINC001183977934 1071483253 /nfs/dbraw/zinc/48/32/53/1071483253.db2.gz IYTPVRRAGIGGQH-DZDCQFRTSA-N 1 0 424.417 -0.967 20 0 HBADRO CC(C)N(C(=O)C1(CO)COC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001184042345 1071487572 /nfs/dbraw/zinc/48/75/72/1071487572.db2.gz IGYFDQJJEMVNTH-UHFFFAOYSA-N 1 0 405.499 -0.248 20 0 HBADRO C[NH+](C)CCCCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001184055855 1071488094 /nfs/dbraw/zinc/48/80/94/1071488094.db2.gz GWIPQIPZICIDRI-BRWVUGGUSA-N 1 0 415.556 -0.161 20 0 HBADRO C[NH+](C)CCCCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001184055865 1071488194 /nfs/dbraw/zinc/48/81/94/1071488194.db2.gz GWIPQIPZICIDRI-GVDBMIGSSA-N 1 0 415.556 -0.161 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)NCC(N)=O ZINC001184056144 1071488272 /nfs/dbraw/zinc/48/82/72/1071488272.db2.gz KHTXODLZCCRIJS-HOTGVXAUSA-N 1 0 411.547 -0.158 20 0 HBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1O ZINC001184062157 1071488134 /nfs/dbraw/zinc/48/81/34/1071488134.db2.gz QYWZCRVXPLRHNR-OZSDWXKXSA-N 1 0 421.502 -0.640 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)NC1=O ZINC001184064501 1071484623 /nfs/dbraw/zinc/48/46/23/1071484623.db2.gz TUEMPINFSOSFSC-FCMVICDYSA-N 1 0 419.457 -0.142 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)NC1=O ZINC001184064503 1071484636 /nfs/dbraw/zinc/48/46/36/1071484636.db2.gz TUEMPINFSOSFSC-IVAHSZNUSA-N 1 0 419.457 -0.142 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)NC1=O ZINC001184064505 1071484492 /nfs/dbraw/zinc/48/44/92/1071484492.db2.gz TUEMPINFSOSFSC-OOVWBHHBSA-N 1 0 419.457 -0.142 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)NC1=O ZINC001184064507 1071484694 /nfs/dbraw/zinc/48/46/94/1071484694.db2.gz TUEMPINFSOSFSC-RXIQLXCPSA-N 1 0 419.457 -0.142 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)NC1=O ZINC001184064570 1071484699 /nfs/dbraw/zinc/48/46/99/1071484699.db2.gz UXXVYGWVFAONSN-HOCLYGCPSA-N 1 0 402.499 -0.353 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)NC1=O ZINC001184065510 1071485187 /nfs/dbraw/zinc/48/51/87/1071485187.db2.gz ZMCVNEBHSNGGAC-AAEUAGOBSA-N 1 0 413.438 -0.573 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)NC1=O ZINC001184073948 1071485214 /nfs/dbraw/zinc/48/52/14/1071485214.db2.gz FTPYPJBIKUGSQD-GJZGRUSLSA-N 1 0 420.514 -0.523 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)NC1=O ZINC001184074006 1071485159 /nfs/dbraw/zinc/48/51/59/1071485159.db2.gz GVJNKEWRFYIZLE-GJZGRUSLSA-N 1 0 407.515 -0.685 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)NC1=O ZINC001184074125 1071485232 /nfs/dbraw/zinc/48/52/32/1071485232.db2.gz ITMKDKWEUQPOHV-ZAHIEGGZSA-N 1 0 415.494 -0.035 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)NC1=O ZINC001184074931 1071486640 /nfs/dbraw/zinc/48/66/40/1071486640.db2.gz UPVMVWZYAJNDJB-DKIMLUQUSA-N 1 0 415.494 -0.333 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)NC1=O ZINC001184074932 1071486665 /nfs/dbraw/zinc/48/66/65/1071486665.db2.gz UPVMVWZYAJNDJB-HPBDAGMYSA-N 1 0 415.494 -0.333 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)NC1=O ZINC001184074933 1071486701 /nfs/dbraw/zinc/48/67/01/1071486701.db2.gz UPVMVWZYAJNDJB-OWLYRPNTSA-N 1 0 415.494 -0.333 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)NC1=O ZINC001184074934 1071486736 /nfs/dbraw/zinc/48/67/36/1071486736.db2.gz UPVMVWZYAJNDJB-RANZSIQMSA-N 1 0 415.494 -0.333 20 0 HBADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O)C2 ZINC001184074961 1071486680 /nfs/dbraw/zinc/48/66/80/1071486680.db2.gz VEIDNBHMMINSEZ-YHXHNGJMSA-N 1 0 406.527 -0.023 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)NC1=O ZINC001184074962 1071486719 /nfs/dbraw/zinc/48/67/19/1071486719.db2.gz VFBHJWBKTANGIL-UVPYHEFZSA-N 1 0 416.482 -0.783 20 0 HBADRO COc1cc(C)nc(N(C(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)C2CC[NH2+]CC2)n1 ZINC001184085113 1071488940 /nfs/dbraw/zinc/48/89/40/1071488940.db2.gz NPKUGNIKCJVAGH-JSGCOSHPSA-N 1 0 404.471 -0.338 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)NC1=O ZINC001184085410 1071488994 /nfs/dbraw/zinc/48/89/94/1071488994.db2.gz WNBCAADAFNKFNZ-YOEHRIQHSA-N 1 0 403.483 -0.477 20 0 HBADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)NC1=O ZINC001184103086 1071489930 /nfs/dbraw/zinc/48/99/30/1071489930.db2.gz YFXWNMAJTUHBAB-JSGCOSHPSA-N 1 0 410.496 -0.276 20 0 HBADRO CCOC(=O)[C@@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001184227437 1071491383 /nfs/dbraw/zinc/49/13/83/1071491383.db2.gz FOTWDXAHLLCYEV-JTQLQIEISA-N 1 0 413.456 -0.036 20 0 HBADRO CCOC(=O)[C@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001184227438 1071491471 /nfs/dbraw/zinc/49/14/71/1071491471.db2.gz FOTWDXAHLLCYEV-SNVBAGLBSA-N 1 0 413.456 -0.036 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCC(=O)N2C)c2nonc21 ZINC001184333150 1071492702 /nfs/dbraw/zinc/49/27/02/1071492702.db2.gz UASSGWLKXURHOE-NSHDSACASA-N 1 0 410.456 -0.614 20 0 HBADRO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184404292 1071494212 /nfs/dbraw/zinc/49/42/12/1071494212.db2.gz HPJZUQVKIHACFI-DAASFUJLSA-N 1 0 414.886 -0.532 20 0 HBADRO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184404293 1071494166 /nfs/dbraw/zinc/49/41/66/1071494166.db2.gz HPJZUQVKIHACFI-DQSLCOISSA-N 1 0 414.886 -0.532 20 0 HBADRO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184404294 1071494160 /nfs/dbraw/zinc/49/41/60/1071494160.db2.gz HPJZUQVKIHACFI-FDSBPSOYSA-N 1 0 414.886 -0.532 20 0 HBADRO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184404295 1071494224 /nfs/dbraw/zinc/49/42/24/1071494224.db2.gz HPJZUQVKIHACFI-RKIONOAISA-N 1 0 414.886 -0.532 20 0 HBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001184416828 1071495963 /nfs/dbraw/zinc/49/59/63/1071495963.db2.gz HLAKMVOVCMDMQP-PXCRPINLSA-N 1 0 416.522 -0.028 20 0 HBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001184422099 1071497424 /nfs/dbraw/zinc/49/74/24/1071497424.db2.gz QKAOTZHPBCAHDU-CVMAZLICSA-N 1 0 407.467 -0.424 20 0 HBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001184422100 1071497405 /nfs/dbraw/zinc/49/74/05/1071497405.db2.gz QKAOTZHPBCAHDU-OIMSXUDKSA-N 1 0 407.467 -0.424 20 0 HBADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001184424385 1071498223 /nfs/dbraw/zinc/49/82/23/1071498223.db2.gz MCSOYIQGMHRTCA-SGTQZHETSA-N 1 0 404.511 -0.273 20 0 HBADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184433517 1071498119 /nfs/dbraw/zinc/49/81/19/1071498119.db2.gz KPSDXMHYMDENBT-JHMPBIJASA-N 1 0 401.529 -0.444 20 0 HBADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC(=O)NCC(F)(F)F ZINC001184433841 1071498296 /nfs/dbraw/zinc/49/82/96/1071498296.db2.gz OINVZWNOSYAJGC-SSLNLQFTSA-N 1 0 404.389 -0.012 20 0 HBADRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCCCN1CCCC1=O ZINC001184434171 1071498243 /nfs/dbraw/zinc/49/82/43/1071498243.db2.gz SKUQYSPZSBXSNX-UWGWQUPMSA-N 1 0 404.511 -0.271 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@H]1C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001184443038 1071494308 /nfs/dbraw/zinc/49/43/08/1071494308.db2.gz HPRQADOMJBXYJE-LJIZCISZSA-N 1 0 415.531 -0.075 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001184443045 1071494278 /nfs/dbraw/zinc/49/42/78/1071494278.db2.gz HPRQADOMJBXYJE-QCODTGAPSA-N 1 0 415.531 -0.075 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001184443371 1071494171 /nfs/dbraw/zinc/49/41/71/1071494171.db2.gz QXQGEPPZISYKOA-APIJFGDWSA-N 1 0 411.551 -0.775 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001184443374 1071494334 /nfs/dbraw/zinc/49/43/34/1071494334.db2.gz QXQGEPPZISYKOA-CBBWQLFWSA-N 1 0 411.551 -0.775 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001184443378 1071495258 /nfs/dbraw/zinc/49/52/58/1071495258.db2.gz QXQGEPPZISYKOA-KBXIAJHMSA-N 1 0 411.551 -0.775 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001184443380 1071495148 /nfs/dbraw/zinc/49/51/48/1071495148.db2.gz QXQGEPPZISYKOA-QPSCCSFWSA-N 1 0 411.551 -0.775 20 0 HBADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001184469860 1071498321 /nfs/dbraw/zinc/49/83/21/1071498321.db2.gz CEPADUIIYPKTFF-VBKZILBWSA-N 1 0 403.483 -0.237 20 0 HBADRO Cn1ccnc1[C@](O)(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C(F)(F)F ZINC001184471433 1071498183 /nfs/dbraw/zinc/49/81/83/1071498183.db2.gz SXPBCJNGNUZDCQ-APHBMKBZSA-N 1 0 406.405 -0.098 20 0 HBADRO Cn1ccnc1[C@@](O)(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C(F)(F)F ZINC001184471436 1071498382 /nfs/dbraw/zinc/49/83/82/1071498382.db2.gz SXPBCJNGNUZDCQ-MAZHCROVSA-N 1 0 406.405 -0.098 20 0 HBADRO C[C@@H]1CCC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001184512279 1071499009 /nfs/dbraw/zinc/49/90/09/1071499009.db2.gz NXKDNXVIFAFVKD-IOQYJRBKSA-N 1 0 406.443 -0.780 20 0 HBADRO C[C@H]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001184512280 1071499030 /nfs/dbraw/zinc/49/90/30/1071499030.db2.gz NXKDNXVIFAFVKD-QEHBGEGTSA-N 1 0 406.443 -0.780 20 0 HBADRO C[C@H]1CCC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001184512281 1071499117 /nfs/dbraw/zinc/49/91/17/1071499117.db2.gz NXKDNXVIFAFVKD-UDPBVAQOSA-N 1 0 406.443 -0.780 20 0 HBADRO C[C@@H]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001184512282 1071499077 /nfs/dbraw/zinc/49/90/77/1071499077.db2.gz NXKDNXVIFAFVKD-VTJJHPOSSA-N 1 0 406.443 -0.780 20 0 HBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001185002324 1071504664 /nfs/dbraw/zinc/50/46/64/1071504664.db2.gz XGABRVSLQZPDDF-UHFFFAOYSA-N 1 0 418.585 -0.385 20 0 HBADRO CC1(C)CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001185174098 1071506363 /nfs/dbraw/zinc/50/63/63/1071506363.db2.gz HSJFWDCSPMGEGM-GBPQWNHNSA-N 1 0 406.443 -0.780 20 0 HBADRO CC1(C)CC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001185174100 1071506544 /nfs/dbraw/zinc/50/65/44/1071506544.db2.gz HSJFWDCSPMGEGM-QALRIXGESA-N 1 0 406.443 -0.780 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001185243821 1071507820 /nfs/dbraw/zinc/50/78/20/1071507820.db2.gz GQZJEPMIUIKROF-GOSISDBHSA-N 1 0 419.530 -0.605 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001185243833 1071507508 /nfs/dbraw/zinc/50/75/08/1071507508.db2.gz GQZJEPMIUIKROF-SFHVURJKSA-N 1 0 419.530 -0.605 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001185244214 1071508017 /nfs/dbraw/zinc/50/80/17/1071508017.db2.gz JCMCMLDIIFNGFV-WJFTUGDTSA-N 1 0 401.511 -0.193 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001185244215 1071507557 /nfs/dbraw/zinc/50/75/57/1071507557.db2.gz JCMCMLDIIFNGFV-ZSYWTGECSA-N 1 0 401.511 -0.193 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001185244244 1071507736 /nfs/dbraw/zinc/50/77/36/1071507736.db2.gz JVOXEFUYFZECFR-BTYIYWSLSA-N 1 0 421.542 -0.182 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@]2(CCNC2=O)C1 ZINC001185244245 1071508370 /nfs/dbraw/zinc/50/83/70/1071508370.db2.gz JVOXEFUYFZECFR-QVKFZJNVSA-N 1 0 421.542 -0.182 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001185244246 1071508439 /nfs/dbraw/zinc/50/84/39/1071508439.db2.gz JVOXEFUYFZECFR-VFNWGFHPSA-N 1 0 421.542 -0.182 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@]2(CCNC2=O)C1 ZINC001185244247 1071508990 /nfs/dbraw/zinc/50/89/90/1071508990.db2.gz JVOXEFUYFZECFR-YCRPNKLZSA-N 1 0 421.542 -0.182 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249749 1071508834 /nfs/dbraw/zinc/50/88/34/1071508834.db2.gz AOEGVYHZLBIJRW-APWZRJJASA-N 1 0 408.524 -0.045 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249750 1071508874 /nfs/dbraw/zinc/50/88/74/1071508874.db2.gz AOEGVYHZLBIJRW-LPHOPBHVSA-N 1 0 408.524 -0.045 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249751 1071508608 /nfs/dbraw/zinc/50/86/08/1071508608.db2.gz AOEGVYHZLBIJRW-QFBILLFUSA-N 1 0 408.524 -0.045 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249752 1071508403 /nfs/dbraw/zinc/50/84/03/1071508403.db2.gz AOEGVYHZLBIJRW-VQIMIIECSA-N 1 0 408.524 -0.045 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001185249763 1071508581 /nfs/dbraw/zinc/50/85/81/1071508581.db2.gz AUBGAEXZWURQFR-CADBVGFASA-N 1 0 401.511 -0.079 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001185249764 1071508549 /nfs/dbraw/zinc/50/85/49/1071508549.db2.gz AUBGAEXZWURQFR-INDMIFKZSA-N 1 0 401.511 -0.079 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001185250038 1071508520 /nfs/dbraw/zinc/50/85/20/1071508520.db2.gz BUAYBSSIWGUAIP-KRWDZBQOSA-N 1 0 402.499 -0.444 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001185250040 1071508648 /nfs/dbraw/zinc/50/86/48/1071508648.db2.gz BUAYBSSIWGUAIP-QGZVFWFLSA-N 1 0 402.499 -0.444 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250134 1071508952 /nfs/dbraw/zinc/50/89/52/1071508952.db2.gz CYDPQODRHHLMCG-GHTZIAJQSA-N 1 0 414.510 -0.506 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250139 1071508911 /nfs/dbraw/zinc/50/89/11/1071508911.db2.gz CYDPQODRHHLMCG-NQIIRXRSSA-N 1 0 414.510 -0.506 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250140 1071508713 /nfs/dbraw/zinc/50/87/13/1071508713.db2.gz CYDPQODRHHLMCG-RXVVDRJESA-N 1 0 414.510 -0.506 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250142 1071508490 /nfs/dbraw/zinc/50/84/90/1071508490.db2.gz CYDPQODRHHLMCG-WIYYLYMNSA-N 1 0 414.510 -0.506 20 0 HBADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC001185250206 1071508749 /nfs/dbraw/zinc/50/87/49/1071508749.db2.gz DGZVRLZKUMMRTA-KRWDZBQOSA-N 1 0 418.542 -0.116 20 0 HBADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC001185250211 1071508791 /nfs/dbraw/zinc/50/87/91/1071508791.db2.gz DGZVRLZKUMMRTA-QGZVFWFLSA-N 1 0 418.542 -0.116 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001185250628 1071509939 /nfs/dbraw/zinc/50/99/39/1071509939.db2.gz IEUFEYALNWNDET-DOTOQJQBSA-N 1 0 412.498 -0.693 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001185250647 1071509551 /nfs/dbraw/zinc/50/95/51/1071509551.db2.gz IEUFEYALNWNDET-NVXWUHKLSA-N 1 0 412.498 -0.693 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001185250648 1071509777 /nfs/dbraw/zinc/50/97/77/1071509777.db2.gz IEUFEYALNWNDET-RDJZCZTQSA-N 1 0 412.498 -0.693 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001185250649 1071509345 /nfs/dbraw/zinc/50/93/45/1071509345.db2.gz IEUFEYALNWNDET-WBVHZDCISA-N 1 0 412.498 -0.693 20 0 HBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250711 1071509509 /nfs/dbraw/zinc/50/95/09/1071509509.db2.gz IRMNEBVKBOWJPL-HKUYNNGSSA-N 1 0 420.558 -0.560 20 0 HBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250714 1071509675 /nfs/dbraw/zinc/50/96/75/1071509675.db2.gz IRMNEBVKBOWJPL-IEBWSBKVSA-N 1 0 420.558 -0.560 20 0 HBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250716 1071509601 /nfs/dbraw/zinc/50/96/01/1071509601.db2.gz IRMNEBVKBOWJPL-MJGOQNOKSA-N 1 0 420.558 -0.560 20 0 HBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250717 1071509835 /nfs/dbraw/zinc/50/98/35/1071509835.db2.gz IRMNEBVKBOWJPL-PKOBYXMFSA-N 1 0 420.558 -0.560 20 0 HBADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCN4C)CC[C@@H]32)cn1 ZINC001185250885 1071509802 /nfs/dbraw/zinc/50/98/02/1071509802.db2.gz KUUJWLKJBPRFPJ-WNRNVDISSA-N 1 0 404.515 -0.741 20 0 HBADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCN4C)CC[C@@H]32)cn1 ZINC001185250900 1071509475 /nfs/dbraw/zinc/50/94/75/1071509475.db2.gz KUUJWLKJBPRFPJ-XLAORIBOSA-N 1 0 404.515 -0.741 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001185252534 1071509577 /nfs/dbraw/zinc/50/95/77/1071509577.db2.gz SGZFYVCKVQNVFK-FFGOWVMKSA-N 1 0 415.538 -0.008 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001185252535 1071509967 /nfs/dbraw/zinc/50/99/67/1071509967.db2.gz SGZFYVCKVQNVFK-NBYUQASBSA-N 1 0 415.538 -0.008 20 0 HBADRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001185252660 1071509883 /nfs/dbraw/zinc/50/98/83/1071509883.db2.gz TULATSNCSNDXFJ-DBXWQHBBSA-N 1 0 401.511 -0.049 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001185252662 1071509444 /nfs/dbraw/zinc/50/94/44/1071509444.db2.gz TULATSNCSNDXFJ-WAOWUJCRSA-N 1 0 401.511 -0.049 20 0 HBADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253285 1071509754 /nfs/dbraw/zinc/50/97/54/1071509754.db2.gz WLXNOHQRFMHHDU-DOTOQJQBSA-N 1 0 404.515 -0.221 20 0 HBADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253289 1071509382 /nfs/dbraw/zinc/50/93/82/1071509382.db2.gz WLXNOHQRFMHHDU-NVXWUHKLSA-N 1 0 404.515 -0.221 20 0 HBADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253291 1071510624 /nfs/dbraw/zinc/51/06/24/1071510624.db2.gz WLXNOHQRFMHHDU-RDJZCZTQSA-N 1 0 404.515 -0.221 20 0 HBADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253293 1071510690 /nfs/dbraw/zinc/51/06/90/1071510690.db2.gz WLXNOHQRFMHHDU-WBVHZDCISA-N 1 0 404.515 -0.221 20 0 HBADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253537 1071510865 /nfs/dbraw/zinc/51/08/65/1071510865.db2.gz WTHWMXSVQLYDQI-INIZCTEOSA-N 1 0 414.514 -0.823 20 0 HBADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185253544 1071510660 /nfs/dbraw/zinc/51/06/60/1071510660.db2.gz WTHWMXSVQLYDQI-MRXNPFEDSA-N 1 0 414.514 -0.823 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001185253579 1071510593 /nfs/dbraw/zinc/51/05/93/1071510593.db2.gz XBJNBHNXZOQUET-LAVFITLUSA-N 1 0 402.499 -0.542 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001185253587 1071510329 /nfs/dbraw/zinc/51/03/29/1071510329.db2.gz XBJNBHNXZOQUET-LEUOFYLZSA-N 1 0 402.499 -0.542 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001185253591 1071510757 /nfs/dbraw/zinc/51/07/57/1071510757.db2.gz XBJNBHNXZOQUET-NRSFXHEJSA-N 1 0 402.499 -0.542 20 0 HBADRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001185253593 1071510496 /nfs/dbraw/zinc/51/04/96/1071510496.db2.gz XBJNBHNXZOQUET-XOYOTBSWSA-N 1 0 402.499 -0.542 20 0 HBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4C[N@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258499 1071510791 /nfs/dbraw/zinc/51/07/91/1071510791.db2.gz UMLOMOBEZZTPNT-DYESRHJHSA-N 1 0 415.494 -0.036 20 0 HBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4C[N@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258500 1071510828 /nfs/dbraw/zinc/51/08/28/1071510828.db2.gz UMLOMOBEZZTPNT-LAUBAEHRSA-N 1 0 415.494 -0.036 20 0 HBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4C[N@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258501 1071510544 /nfs/dbraw/zinc/51/05/44/1071510544.db2.gz UMLOMOBEZZTPNT-UTKZUKDTSA-N 1 0 415.494 -0.036 20 0 HBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4C[N@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258502 1071510449 /nfs/dbraw/zinc/51/04/49/1071510449.db2.gz UMLOMOBEZZTPNT-UWJYYQICSA-N 1 0 415.494 -0.036 20 0 HBADRO CNS(=O)(=O)c1cccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c1 ZINC001185262637 1071510571 /nfs/dbraw/zinc/51/05/71/1071510571.db2.gz BMUNGCJNUODNKL-UHFFFAOYSA-N 1 0 404.558 -0.348 20 0 HBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@H+](C)CCN1C)C(N)=O ZINC001185269818 1071510404 /nfs/dbraw/zinc/51/04/04/1071510404.db2.gz QCCXHWPDUBKHTB-KURKYZTESA-N 1 0 419.526 -0.709 20 0 HBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@H+](C)CCN1C)C(N)=O ZINC001185269819 1071510710 /nfs/dbraw/zinc/51/07/10/1071510710.db2.gz QCCXHWPDUBKHTB-SQNIBIBYSA-N 1 0 419.526 -0.709 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001185326270 1071513473 /nfs/dbraw/zinc/51/34/73/1071513473.db2.gz LNJWCYRHNLUELA-UHFFFAOYSA-N 1 0 410.544 -0.730 20 0 HBADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC[NH2+]CCO ZINC001185419634 1071514679 /nfs/dbraw/zinc/51/46/79/1071514679.db2.gz WIJLYPPBYRHWEE-INIZCTEOSA-N 1 0 408.499 -0.063 20 0 HBADRO C[C@@]1(O)C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001185465535 1071515851 /nfs/dbraw/zinc/51/58/51/1071515851.db2.gz COGFYDBIVPUGRP-FIIQBIKZSA-N 1 0 406.508 -0.021 20 0 HBADRO COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001185479660 1071516707 /nfs/dbraw/zinc/51/67/07/1071516707.db2.gz WFZLJZWICHMVSQ-UHFFFAOYSA-N 1 0 412.512 -0.209 20 0 HBADRO CS(C)(=O)=NS(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001185607602 1071520429 /nfs/dbraw/zinc/52/04/29/1071520429.db2.gz SJDZXNQNZOUIEV-UHFFFAOYSA-N 1 0 410.562 -0.491 20 0 HBADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185621889 1071525359 /nfs/dbraw/zinc/52/53/59/1071525359.db2.gz CRLGKCDBUNSRBO-HNNXBMFYSA-N 1 0 400.439 -0.345 20 0 HBADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185621896 1071525123 /nfs/dbraw/zinc/52/51/23/1071525123.db2.gz CRLGKCDBUNSRBO-OAHLLOKOSA-N 1 0 400.439 -0.345 20 0 HBADRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O)C(C)C ZINC001185682534 1071525933 /nfs/dbraw/zinc/52/59/33/1071525933.db2.gz HRMYWFYZWXFDOD-STQMWFEESA-N 1 0 417.467 -0.978 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C ZINC001185683870 1071525981 /nfs/dbraw/zinc/52/59/81/1071525981.db2.gz YJFRVSCCWOEXPK-ZFWWWQNUSA-N 1 0 400.476 -0.292 20 0 HBADRO CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCC[NH+](CCO)CCO)CC1 ZINC001185770538 1071528896 /nfs/dbraw/zinc/52/88/96/1071528896.db2.gz JXVQQQMISFZDQS-UHFFFAOYSA-N 1 0 409.549 -0.018 20 0 HBADRO CS(=O)(=O)N(CC[NH3+])C(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185810075 1071529334 /nfs/dbraw/zinc/52/93/34/1071529334.db2.gz PHWVTLPEBGJZFL-UHFFFAOYSA-N 1 0 417.465 -0.712 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001185865185 1071533428 /nfs/dbraw/zinc/53/34/28/1071533428.db2.gz CCLFZHITUPLIIT-ZDUSSCGKSA-N 1 0 408.459 -0.131 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001185865362 1071533404 /nfs/dbraw/zinc/53/34/04/1071533404.db2.gz FJAAIRCBZLSUOR-ZDUSSCGKSA-N 1 0 403.439 -0.167 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001185866027 1071534151 /nfs/dbraw/zinc/53/41/51/1071534151.db2.gz BRUNTZSKUCTUBD-AWEZNQCLSA-N 1 0 424.502 -0.316 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001185866428 1071534116 /nfs/dbraw/zinc/53/41/16/1071534116.db2.gz FSBLOMSXSPNPCI-HNNXBMFYSA-N 1 0 406.487 -0.146 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001185866467 1071534079 /nfs/dbraw/zinc/53/40/79/1071534079.db2.gz FVXDIJKULNFASM-AWEZNQCLSA-N 1 0 411.503 -0.478 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001185866627 1071534196 /nfs/dbraw/zinc/53/41/96/1071534196.db2.gz GZFCEDMTAXFYFR-BBWFWOEESA-N 1 0 419.482 -0.127 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185866631 1071534007 /nfs/dbraw/zinc/53/40/07/1071534007.db2.gz GZFCEDMTAXFYFR-IKGGRYGDSA-N 1 0 419.482 -0.127 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001185866633 1071534610 /nfs/dbraw/zinc/53/46/10/1071534610.db2.gz GZFCEDMTAXFYFR-ULQDDVLXSA-N 1 0 419.482 -0.127 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185866637 1071534567 /nfs/dbraw/zinc/53/45/67/1071534567.db2.gz GZFCEDMTAXFYFR-ZACQAIPSSA-N 1 0 419.482 -0.127 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001185867753 1071534527 /nfs/dbraw/zinc/53/45/27/1071534527.db2.gz NNKHVBVVQBHJCQ-QLFBSQMISA-N 1 0 400.476 -0.828 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001185867908 1071535232 /nfs/dbraw/zinc/53/52/32/1071535232.db2.gz SNCURLUZMUCOMN-LBPRGKRZSA-N 1 0 417.426 -0.366 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001185868273 1071535840 /nfs/dbraw/zinc/53/58/40/1071535840.db2.gz ZPVJHYJLAOKDEF-ZQDZILKHSA-N 1 0 420.470 -0.576 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001185870072 1071535800 /nfs/dbraw/zinc/53/58/00/1071535800.db2.gz SGVAJZVIOLIUAW-INIZCTEOSA-N 1 0 407.471 -0.271 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001185872086 1071532334 /nfs/dbraw/zinc/53/23/34/1071532334.db2.gz CNLKWKMGXRTLAJ-MGPUTAFESA-N 1 0 420.466 -0.090 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001185872089 1071532226 /nfs/dbraw/zinc/53/22/26/1071532226.db2.gz CNLKWKMGXRTLAJ-YWZLYKJASA-N 1 0 420.466 -0.090 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001185873916 1071532322 /nfs/dbraw/zinc/53/23/22/1071532322.db2.gz CKAMQYBJJKBSPN-ZDUSSCGKSA-N 1 0 414.484 -0.069 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001185873958 1071532116 /nfs/dbraw/zinc/53/21/16/1071532116.db2.gz DXEBDUKPPRZPFV-LBPRGKRZSA-N 1 0 403.480 -0.451 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001185874224 1071532373 /nfs/dbraw/zinc/53/23/73/1071532373.db2.gz IBXZHZDAVCFHQL-AWEZNQCLSA-N 1 0 406.443 -0.260 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001185874823 1071532431 /nfs/dbraw/zinc/53/24/31/1071532431.db2.gz OIPSBPNKUVHKLV-JTQLQIEISA-N 1 0 402.249 -0.260 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001185875838 1071532143 /nfs/dbraw/zinc/53/21/43/1071532143.db2.gz WVELVBUNRXQLJE-HNNXBMFYSA-N 1 0 419.482 -0.387 20 0 HBADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001185875886 1071532978 /nfs/dbraw/zinc/53/29/78/1071532978.db2.gz XDUAWLUMTXARHK-HNNXBMFYSA-N 1 0 411.503 -0.430 20 0 HBADRO CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001185879550 1071537008 /nfs/dbraw/zinc/53/70/08/1071537008.db2.gz HLVBHMVDVQUQSQ-LBPRGKRZSA-N 1 0 408.521 -0.211 20 0 HBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001186037919 1071539066 /nfs/dbraw/zinc/53/90/66/1071539066.db2.gz LZLJAPRSSNJOAN-CVEARBPZSA-N 1 0 415.556 -0.125 20 0 HBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001186037924 1071538961 /nfs/dbraw/zinc/53/89/61/1071538961.db2.gz LZLJAPRSSNJOAN-HOTGVXAUSA-N 1 0 415.556 -0.125 20 0 HBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001186037925 1071539290 /nfs/dbraw/zinc/53/92/90/1071539290.db2.gz LZLJAPRSSNJOAN-HZPDHXFCSA-N 1 0 415.556 -0.125 20 0 HBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001186037927 1071538829 /nfs/dbraw/zinc/53/88/29/1071538829.db2.gz LZLJAPRSSNJOAN-JKSUJKDBSA-N 1 0 415.556 -0.125 20 0 HBADRO CC(C)N(C(=O)CN1CC[C@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039093 1071539033 /nfs/dbraw/zinc/53/90/33/1071539033.db2.gz VNQVHYZDOWSVDL-INIZCTEOSA-N 1 0 418.542 -0.191 20 0 HBADRO CC(C)N(C(=O)CN1CC[C@@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039094 1071538977 /nfs/dbraw/zinc/53/89/77/1071538977.db2.gz VNQVHYZDOWSVDL-MRXNPFEDSA-N 1 0 418.542 -0.191 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186039103 1071538858 /nfs/dbraw/zinc/53/88/58/1071538858.db2.gz VUARTYFMJQLCER-FXAWDEMLSA-N 1 0 401.467 -0.686 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186039104 1071538904 /nfs/dbraw/zinc/53/89/04/1071538904.db2.gz VUARTYFMJQLCER-PXNSSMCTSA-N 1 0 401.467 -0.686 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186039105 1071539617 /nfs/dbraw/zinc/53/96/17/1071539617.db2.gz VUARTYFMJQLCER-XLIONFOSSA-N 1 0 401.467 -0.686 20 0 HBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186039106 1071539809 /nfs/dbraw/zinc/53/98/09/1071539809.db2.gz VUARTYFMJQLCER-YLJYHZDGSA-N 1 0 401.467 -0.686 20 0 HBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)C[N@@H+]4CC[C@@H](O)C4)C3)C2=O)cc1 ZINC001186044996 1071540676 /nfs/dbraw/zinc/54/06/76/1071540676.db2.gz NZJBPNWXLSNYEE-FOIQADDNSA-N 1 0 402.451 -0.215 20 0 HBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)C[N@@H+]4CC[C@H](O)C4)C3)C2=O)cc1 ZINC001186044997 1071540441 /nfs/dbraw/zinc/54/04/41/1071540441.db2.gz NZJBPNWXLSNYEE-MGPUTAFESA-N 1 0 402.451 -0.215 20 0 HBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)C[N@@H+]4CC[C@@H](O)C4)C3)C2=O)cc1 ZINC001186044998 1071540797 /nfs/dbraw/zinc/54/07/97/1071540797.db2.gz NZJBPNWXLSNYEE-QRWLVFNGSA-N 1 0 402.451 -0.215 20 0 HBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)C[N@@H+]4CC[C@H](O)C4)C3)C2=O)cc1 ZINC001186044999 1071540596 /nfs/dbraw/zinc/54/05/96/1071540596.db2.gz NZJBPNWXLSNYEE-YWZLYKJASA-N 1 0 402.451 -0.215 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc(OCC(N)=O)cc1 ZINC001186050643 1071540508 /nfs/dbraw/zinc/54/05/08/1071540508.db2.gz GXMVEPPMGVHFAE-UHFFFAOYSA-N 1 0 408.436 -0.214 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101089 1071542719 /nfs/dbraw/zinc/54/27/19/1071542719.db2.gz PMQVHTXUNWTKCE-FTRWYGJKSA-N 1 0 411.499 -0.264 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101090 1071542708 /nfs/dbraw/zinc/54/27/08/1071542708.db2.gz PMQVHTXUNWTKCE-RZQQEMMASA-N 1 0 411.499 -0.264 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101091 1071542504 /nfs/dbraw/zinc/54/25/04/1071542504.db2.gz PMQVHTXUNWTKCE-TWOQFEAHSA-N 1 0 411.499 -0.264 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101092 1071542280 /nfs/dbraw/zinc/54/22/80/1071542280.db2.gz PMQVHTXUNWTKCE-YRNRMSPPSA-N 1 0 411.499 -0.264 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)C1 ZINC001186101249 1071542587 /nfs/dbraw/zinc/54/25/87/1071542587.db2.gz RMFUARMZTXOLGQ-HZMVEIRTSA-N 1 0 409.483 -0.244 20 0 HBADRO COC(=O)[C@H]1CCN(CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001186101691 1071542696 /nfs/dbraw/zinc/54/26/96/1071542696.db2.gz YJUIKNATIWBIHW-NSHDSACASA-N 1 0 400.457 -0.897 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)C1 ZINC001186105326 1071543171 /nfs/dbraw/zinc/54/31/71/1071543171.db2.gz CZTYTCFGIXNKLD-INIZCTEOSA-N 1 0 418.494 -0.641 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001186105533 1071543080 /nfs/dbraw/zinc/54/30/80/1071543080.db2.gz DQXJUUVADYLDHA-FVJLSDCUSA-N 1 0 423.510 -0.405 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)C1 ZINC001186105540 1071543290 /nfs/dbraw/zinc/54/32/90/1071543290.db2.gz DTWAUCVSOHWIFJ-KMANFZQXSA-N 1 0 419.482 -0.597 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)C1 ZINC001186105682 1071543196 /nfs/dbraw/zinc/54/31/96/1071543196.db2.gz GAYOLNPGTGLACT-ILXRZTDVSA-N 1 0 402.517 -0.932 20 0 HBADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186105700 1071543430 /nfs/dbraw/zinc/54/34/30/1071543430.db2.gz GQIRNTHZEGFWEE-DZGCQCFKSA-N 1 0 417.470 -0.469 20 0 HBADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186105701 1071543303 /nfs/dbraw/zinc/54/33/03/1071543303.db2.gz GQIRNTHZEGFWEE-ZFWWWQNUSA-N 1 0 417.470 -0.469 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)C1 ZINC001186105727 1071543267 /nfs/dbraw/zinc/54/32/67/1071543267.db2.gz HXOAQYBMEVKRPN-MIALQEHNSA-N 1 0 423.510 -0.121 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)C1 ZINC001186105957 1071543323 /nfs/dbraw/zinc/54/33/23/1071543323.db2.gz IWGNPLSWBBKKSL-KLZNWCGWSA-N 1 0 404.467 -0.524 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)C1 ZINC001186105961 1071543536 /nfs/dbraw/zinc/54/35/36/1071543536.db2.gz JCVNEALRYMGSOR-LJIGWXMPSA-N 1 0 419.482 -0.597 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C1 ZINC001186105987 1071543036 /nfs/dbraw/zinc/54/30/36/1071543036.db2.gz KAZLAHXEURLAPO-FVJLSDCUSA-N 1 0 423.510 -0.120 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)C1 ZINC001186105992 1071543344 /nfs/dbraw/zinc/54/33/44/1071543344.db2.gz KDPRAFSJAWUBLU-DLBZAZTESA-N 1 0 423.510 -0.262 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)C1 ZINC001186105993 1071543240 /nfs/dbraw/zinc/54/32/40/1071543240.db2.gz KDPRAFSJAWUBLU-IRXDYDNUSA-N 1 0 423.510 -0.262 20 0 HBADRO COC(=O)[C@H]1CCN(CC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001186106359 1071543380 /nfs/dbraw/zinc/54/33/80/1071543380.db2.gz MQYPHNNPXPIFSE-LUKYLMHMSA-N 1 0 403.483 -0.071 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001186106361 1071543458 /nfs/dbraw/zinc/54/34/58/1071543458.db2.gz MSOKBOIGIJPUFI-MLHJIOFPSA-N 1 0 423.510 -0.549 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)C1 ZINC001186106371 1071544083 /nfs/dbraw/zinc/54/40/83/1071544083.db2.gz MZQVUKPAMFSCPQ-MGPUTAFESA-N 1 0 408.499 -0.589 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)C1 ZINC001186106372 1071544366 /nfs/dbraw/zinc/54/43/66/1071544366.db2.gz MZQVUKPAMFSCPQ-YWZLYKJASA-N 1 0 408.499 -0.589 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)C1 ZINC001186106389 1071543984 /nfs/dbraw/zinc/54/39/84/1071543984.db2.gz NIOOYURNQDUDDB-YLFCFFPRSA-N 1 0 411.499 -0.265 20 0 HBADRO COC(=O)[C@H]1CCN(CC(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001186106936 1071544056 /nfs/dbraw/zinc/54/40/56/1071544056.db2.gz QQXCEVDRELBIBB-ZDUSSCGKSA-N 1 0 407.471 -0.654 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)C1 ZINC001186106973 1071544013 /nfs/dbraw/zinc/54/40/13/1071544013.db2.gz RAEXTSSMNWUAJP-HNNXBMFYSA-N 1 0 414.466 -0.285 20 0 HBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106992 1071544217 /nfs/dbraw/zinc/54/42/17/1071544217.db2.gz RHSOLUSMVOEBDL-JXFKEZNVSA-N 1 0 410.515 -0.832 20 0 HBADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106999 1071543899 /nfs/dbraw/zinc/54/38/99/1071543899.db2.gz RHSOLUSMVOEBDL-OXJNMPFZSA-N 1 0 410.515 -0.832 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3nc(OC)cc(OC)n3)CC2)C1 ZINC001186107034 1071544315 /nfs/dbraw/zinc/54/43/15/1071544315.db2.gz SBUGJEINXBIYFQ-AWEZNQCLSA-N 1 0 407.471 -0.367 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)C1 ZINC001186107036 1071543948 /nfs/dbraw/zinc/54/39/48/1071543948.db2.gz SFSOPGQRUOXJIZ-HNNXBMFYSA-N 1 0 417.466 -0.304 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)C1 ZINC001186107816 1071544388 /nfs/dbraw/zinc/54/43/88/1071544388.db2.gz UIJVYNULYYRQRL-IBGZPJMESA-N 1 0 416.522 -0.016 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001186107841 1071543997 /nfs/dbraw/zinc/54/39/97/1071543997.db2.gz XVTIWUNBRBTCFX-JJXSEGSLSA-N 1 0 417.466 -0.369 20 0 HBADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H](C)Cc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC001186115661 1071544036 /nfs/dbraw/zinc/54/40/36/1071544036.db2.gz IDGNMYDLONJVAX-OCCSQVGLSA-N 1 0 413.496 -0.115 20 0 HBADRO COC(=O)[C@H]1CCN(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001186116115 1071544137 /nfs/dbraw/zinc/54/41/37/1071544137.db2.gz AESSLBKGZQQGPY-AWEZNQCLSA-N 1 0 410.496 -0.573 20 0 HBADRO O=C(CNC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001186123811 1071541951 /nfs/dbraw/zinc/54/19/51/1071541951.db2.gz BZPIIMYPIBKTRE-IBGZPJMESA-N 1 0 412.490 -0.158 20 0 HBADRO [NH3+]CC1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccccc2)COC1 ZINC001186126675 1071545025 /nfs/dbraw/zinc/54/50/25/1071545025.db2.gz YFMCWJYWRZKHJK-SFHVURJKSA-N 1 0 410.474 -0.012 20 0 HBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC001186279322 1071546635 /nfs/dbraw/zinc/54/66/35/1071546635.db2.gz VQXGXLUUCWBMMS-CYBMUJFWSA-N 1 0 415.537 -0.019 20 0 HBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC001186279323 1071546706 /nfs/dbraw/zinc/54/67/06/1071546706.db2.gz VQXGXLUUCWBMMS-ZDUSSCGKSA-N 1 0 415.537 -0.019 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001186353371 1071547741 /nfs/dbraw/zinc/54/77/41/1071547741.db2.gz GJEHXCUXGIYDHP-MWDXBVQZSA-N 1 0 413.540 -0.551 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001186353372 1071547808 /nfs/dbraw/zinc/54/78/08/1071547808.db2.gz GJEHXCUXGIYDHP-YLFCFFPRSA-N 1 0 413.540 -0.551 20 0 HBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](C)C1)C(=O)NCC(N)=O ZINC001186354566 1071547841 /nfs/dbraw/zinc/54/78/41/1071547841.db2.gz KRYNAOGUTPQCOP-JYJNAYRXSA-N 1 0 409.531 -0.548 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359007 1071547644 /nfs/dbraw/zinc/54/76/44/1071547644.db2.gz UYAYGDUUEXLXDP-DLBZAZTESA-N 1 0 424.633 -0.054 20 0 HBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359062 1071547880 /nfs/dbraw/zinc/54/78/80/1071547880.db2.gz UYAYGDUUEXLXDP-IAGOWNOFSA-N 1 0 424.633 -0.054 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359065 1071547851 /nfs/dbraw/zinc/54/78/51/1071547851.db2.gz UYAYGDUUEXLXDP-IRXDYDNUSA-N 1 0 424.633 -0.054 20 0 HBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359067 1071547781 /nfs/dbraw/zinc/54/77/81/1071547781.db2.gz UYAYGDUUEXLXDP-SJORKVTESA-N 1 0 424.633 -0.054 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001186361053 1071547918 /nfs/dbraw/zinc/54/79/18/1071547918.db2.gz SYLCBCYYUVTELY-QMMMGPOBSA-N 1 0 410.905 -0.085 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C1 ZINC001186361647 1071547761 /nfs/dbraw/zinc/54/77/61/1071547761.db2.gz CVLCGWOCGNDOAD-BMMUQAPUSA-N 1 0 412.508 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1 ZINC001186361648 1071547835 /nfs/dbraw/zinc/54/78/35/1071547835.db2.gz CVLCGWOCGNDOAD-FPKCFQLNSA-N 1 0 412.508 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)C1 ZINC001186361649 1071548318 /nfs/dbraw/zinc/54/83/18/1071548318.db2.gz CVLCGWOCGNDOAD-GEFULFQYSA-N 1 0 412.508 -0.141 20 0 HBADRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)C1 ZINC001186361650 1071548293 /nfs/dbraw/zinc/54/82/93/1071548293.db2.gz CVLCGWOCGNDOAD-IBIMLTJWSA-N 1 0 412.508 -0.141 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186506987 1071549975 /nfs/dbraw/zinc/54/99/75/1071549975.db2.gz VEAVMNUQUAHFTE-BFHYXJOUSA-N 1 0 416.479 -0.077 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186507057 1071550193 /nfs/dbraw/zinc/55/01/93/1071550193.db2.gz VEAVMNUQUAHFTE-IHRRRGAJSA-N 1 0 416.479 -0.077 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186507059 1071550127 /nfs/dbraw/zinc/55/01/27/1071550127.db2.gz VEAVMNUQUAHFTE-MELADBBJSA-N 1 0 416.479 -0.077 20 0 HBADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186507061 1071550166 /nfs/dbraw/zinc/55/01/66/1071550166.db2.gz VEAVMNUQUAHFTE-MJBXVCDLSA-N 1 0 416.479 -0.077 20 0 HBADRO Cc1nn(CCS(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(=O)o1 ZINC001186525008 1071550654 /nfs/dbraw/zinc/55/06/54/1071550654.db2.gz UFNDEGGMUIQCBI-UHFFFAOYSA-N 1 0 411.484 -0.444 20 0 HBADRO C=Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001186526067 1071550515 /nfs/dbraw/zinc/55/05/15/1071550515.db2.gz JHKRNQZFJVJCMM-LZDVPDMXSA-N 1 0 412.406 -0.915 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001186557776 1071550594 /nfs/dbraw/zinc/55/05/94/1071550594.db2.gz WAWHBXIVOISZFD-HNNXBMFYSA-N 1 0 407.558 -0.619 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001186557777 1071550709 /nfs/dbraw/zinc/55/07/09/1071550709.db2.gz WAWHBXIVOISZFD-OAHLLOKOSA-N 1 0 407.558 -0.619 20 0 HBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 ZINC001186557861 1071550692 /nfs/dbraw/zinc/55/06/92/1071550692.db2.gz WWQYTCHLXZCMAM-UHFFFAOYSA-N 1 0 422.507 -0.263 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186581604 1071551797 /nfs/dbraw/zinc/55/17/97/1071551797.db2.gz QVFNBUBYGIQDAN-ZDUSSCGKSA-N 1 0 400.476 -0.148 20 0 HBADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001186581696 1071551687 /nfs/dbraw/zinc/55/16/87/1071551687.db2.gz VZAVAKBWPANHGD-LBPRGKRZSA-N 1 0 417.467 -0.833 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001186594626 1071558908 /nfs/dbraw/zinc/55/89/08/1071558908.db2.gz KYXTZISBUJQXMY-BBRMVZONSA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001186594628 1071558842 /nfs/dbraw/zinc/55/88/42/1071558842.db2.gz KYXTZISBUJQXMY-CJNGLKHVSA-N 1 0 408.503 -0.760 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186595078 1071558817 /nfs/dbraw/zinc/55/88/17/1071558817.db2.gz PNQXSKGSFLWBSY-JQHSSLGASA-N 1 0 422.457 -0.897 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186595079 1071558669 /nfs/dbraw/zinc/55/86/69/1071558669.db2.gz PNQXSKGSFLWBSY-NJAFHUGGSA-N 1 0 422.457 -0.897 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186595080 1071558743 /nfs/dbraw/zinc/55/87/43/1071558743.db2.gz PNQXSKGSFLWBSY-NXHRZFHOSA-N 1 0 422.457 -0.897 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186595081 1071558889 /nfs/dbraw/zinc/55/88/89/1071558889.db2.gz PNQXSKGSFLWBSY-SZMVWBNQSA-N 1 0 422.457 -0.897 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001186595087 1071558780 /nfs/dbraw/zinc/55/87/80/1071558780.db2.gz PZFYSAXYZKLSBH-KRWDZBQOSA-N 1 0 422.482 -0.914 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186595371 1071559285 /nfs/dbraw/zinc/55/92/85/1071559285.db2.gz QWQLFOWJEHRISP-ILXRZTDVSA-N 1 0 409.512 -0.821 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186595372 1071559358 /nfs/dbraw/zinc/55/93/58/1071559358.db2.gz QWQLFOWJEHRISP-KKUMJFAQSA-N 1 0 409.512 -0.821 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186595373 1071559395 /nfs/dbraw/zinc/55/93/95/1071559395.db2.gz QWQLFOWJEHRISP-QLFBSQMISA-N 1 0 409.512 -0.821 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186595374 1071559454 /nfs/dbraw/zinc/55/94/54/1071559454.db2.gz QWQLFOWJEHRISP-SOUVJXGZSA-N 1 0 409.512 -0.821 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001186595395 1071559268 /nfs/dbraw/zinc/55/92/68/1071559268.db2.gz ROTMCHYUZYNALQ-QYZOEREBSA-N 1 0 402.495 -0.277 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1cccc(C)c1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001186595424 1071559435 /nfs/dbraw/zinc/55/94/35/1071559435.db2.gz SEWNACBBUFHIEI-BBTUJRGHSA-N 1 0 418.494 -0.538 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1cccc(C)c1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001186595425 1071559353 /nfs/dbraw/zinc/55/93/53/1071559353.db2.gz SEWNACBBUFHIEI-LQWHRVPQSA-N 1 0 418.494 -0.538 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1cccc(C)c1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001186595426 1071559239 /nfs/dbraw/zinc/55/92/39/1071559239.db2.gz SEWNACBBUFHIEI-LVCYWYKZSA-N 1 0 418.494 -0.538 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1cccc(C)c1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001186595427 1071559387 /nfs/dbraw/zinc/55/93/87/1071559387.db2.gz SEWNACBBUFHIEI-WFXMLNOXSA-N 1 0 418.494 -0.538 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001186595632 1071559860 /nfs/dbraw/zinc/55/98/60/1071559860.db2.gz HRZYJUGYDRPOFE-SFHVURJKSA-N 1 0 417.510 -0.491 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001186595793 1071559845 /nfs/dbraw/zinc/55/98/45/1071559845.db2.gz VONCOGCVDZCWGB-SFHVURJKSA-N 1 0 413.478 -0.195 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001186595860 1071559948 /nfs/dbraw/zinc/55/99/48/1071559948.db2.gz IPWNMIQOVOUNFX-IBGZPJMESA-N 1 0 402.495 -0.351 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001186596211 1071560448 /nfs/dbraw/zinc/56/04/48/1071560448.db2.gz OFOWRKWDXAPZHV-SNRMKQJTSA-N 1 0 404.511 -0.031 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001186596372 1071560906 /nfs/dbraw/zinc/56/09/06/1071560906.db2.gz UUDBRVGHAIUBOU-SFHVURJKSA-N 1 0 408.474 -0.138 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001186596443 1071561044 /nfs/dbraw/zinc/56/10/44/1071561044.db2.gz XOPRPEOUPJQERA-KRWDZBQOSA-N 1 0 414.466 -0.672 20 0 HBADRO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)cc2F)CC1 ZINC001186598626 1071561792 /nfs/dbraw/zinc/56/17/92/1071561792.db2.gz IGGJMRZZRIKCKI-INIZCTEOSA-N 1 0 409.462 -0.481 20 0 HBADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)cc1 ZINC001186598958 1071561656 /nfs/dbraw/zinc/56/16/56/1071561656.db2.gz JTUGESHHIIUBPT-KRWDZBQOSA-N 1 0 421.498 -0.690 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001186599041 1071561609 /nfs/dbraw/zinc/56/16/09/1071561609.db2.gz KWRNXSHYAMFJLR-AABGKKOBSA-N 1 0 416.522 -0.030 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001186599042 1071561663 /nfs/dbraw/zinc/56/16/63/1071561663.db2.gz KWRNXSHYAMFJLR-AQNXPRMDSA-N 1 0 416.522 -0.030 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001186599043 1071561700 /nfs/dbraw/zinc/56/17/00/1071561700.db2.gz KWRNXSHYAMFJLR-UFYCRDLUSA-N 1 0 416.522 -0.030 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001186599044 1071561808 /nfs/dbraw/zinc/56/18/08/1071561808.db2.gz KWRNXSHYAMFJLR-ZCNNSNEGSA-N 1 0 416.522 -0.030 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001186599086 1071561728 /nfs/dbraw/zinc/56/17/28/1071561728.db2.gz MFYRAFSDMOMXSS-SFHVURJKSA-N 1 0 408.474 -0.138 20 0 HBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)cc2)CC1 ZINC001186599322 1071562194 /nfs/dbraw/zinc/56/21/94/1071562194.db2.gz PMZHSWIKYAXDQG-SFHVURJKSA-N 1 0 405.499 -0.624 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001186602734 1071562805 /nfs/dbraw/zinc/56/28/05/1071562805.db2.gz DUJGZAVPAHXVOZ-WZPQHNCMSA-N 1 0 422.485 -0.297 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001186603113 1071562752 /nfs/dbraw/zinc/56/27/52/1071562752.db2.gz MTLZBZWKYZTAEP-OKYOBFRVSA-N 1 0 402.495 -0.089 20 0 HBADRO COc1ccc(CC[NH+]2CCC(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2)cc1 ZINC001186603343 1071563300 /nfs/dbraw/zinc/56/33/00/1071563300.db2.gz WHCWXPQNRRXDHX-IBGZPJMESA-N 1 0 420.510 -0.569 20 0 HBADRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)CNC(=O)[C@H](CO)NC(C)=O)c1 ZINC001186603806 1071563249 /nfs/dbraw/zinc/56/32/49/1071563249.db2.gz KDUCWVDTRNTCGH-ZDUSSCGKSA-N 1 0 407.427 -0.989 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001186604371 1071563334 /nfs/dbraw/zinc/56/33/34/1071563334.db2.gz RFHGXPYHWJXSCZ-IBGZPJMESA-N 1 0 404.511 -0.330 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001186607133 1071563871 /nfs/dbraw/zinc/56/38/71/1071563871.db2.gz FVTOQSZDVPOUEY-FQSKIORSSA-N 1 0 410.455 -0.738 20 0 HBADRO COc1cccc(CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001186608970 1071552952 /nfs/dbraw/zinc/55/29/52/1071552952.db2.gz YIEQZHSBYRDLRZ-LNLFQRSKSA-N 1 0 420.510 -0.093 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001186609001 1071553187 /nfs/dbraw/zinc/55/31/87/1071553187.db2.gz ZAAGBCRQNPVGKU-INIZCTEOSA-N 1 0 410.902 -0.184 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCOC[C@@H]1C[NH+](C)C)C(C)C ZINC001186610868 1071552984 /nfs/dbraw/zinc/55/29/84/1071552984.db2.gz HQWFJXGWDWKETB-JYJNAYRXSA-N 1 0 402.561 -0.216 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCOC[C@H]1C[NH+](C)C)C(C)C ZINC001186610869 1071553128 /nfs/dbraw/zinc/55/31/28/1071553128.db2.gz HQWFJXGWDWKETB-PMPSAXMXSA-N 1 0 402.561 -0.216 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C(C)C ZINC001186611470 1071552958 /nfs/dbraw/zinc/55/29/58/1071552958.db2.gz NPOQZNMNKOZKQS-GJZGRUSLSA-N 1 0 408.528 -0.210 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1)C(C)C ZINC001186616534 1071554202 /nfs/dbraw/zinc/55/42/02/1071554202.db2.gz OPGCWYYGBBCXDC-XIRDDKMYSA-N 1 0 414.572 -0.074 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCCN1CCC[N@H+](C)CC1)C(C)C ZINC001186620278 1071554804 /nfs/dbraw/zinc/55/48/04/1071554804.db2.gz MBFCYAIBOUWDDN-IRXDYDNUSA-N 1 0 415.604 -0.251 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186621059 1071554832 /nfs/dbraw/zinc/55/48/32/1071554832.db2.gz URTCFUJTBBVMBH-ZFWWWQNUSA-N 1 0 404.533 -0.655 20 0 HBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NC1(CO)CC[NH+](C)CC1)C(C)C ZINC001186625695 1071556290 /nfs/dbraw/zinc/55/62/90/1071556290.db2.gz YPVGKGLYMVWTQL-GJZGRUSLSA-N 1 0 402.561 -0.432 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001186627143 1071556805 /nfs/dbraw/zinc/55/68/05/1071556805.db2.gz JFECIUNUGBJIAT-KKUMJFAQSA-N 1 0 421.542 -0.535 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001186629599 1071557783 /nfs/dbraw/zinc/55/77/83/1071557783.db2.gz BXMSQNJKDLTCEJ-JYJNAYRXSA-N 1 0 423.558 -0.145 20 0 HBADRO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C[C@H]2C1 ZINC001186631586 1071552967 /nfs/dbraw/zinc/55/29/67/1071552967.db2.gz TUBXPJRPGUEAOO-CUINURIISA-N 1 0 409.531 -0.679 20 0 HBADRO CCC[NH+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C[C@@H]2C1 ZINC001186631587 1071553116 /nfs/dbraw/zinc/55/31/16/1071553116.db2.gz TUBXPJRPGUEAOO-JBJRXJHCSA-N 1 0 409.531 -0.679 20 0 HBADRO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C[C@H]2C1 ZINC001186631588 1071553015 /nfs/dbraw/zinc/55/30/15/1071553015.db2.gz TUBXPJRPGUEAOO-WLRQEKSISA-N 1 0 409.531 -0.679 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001186631615 1071553576 /nfs/dbraw/zinc/55/35/76/1071553576.db2.gz URXDGTUOVWPDEO-NBOOPKSLSA-N 1 0 423.558 -0.003 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001186631616 1071554264 /nfs/dbraw/zinc/55/42/64/1071554264.db2.gz URXDGTUOVWPDEO-OVWQWFNUSA-N 1 0 423.558 -0.003 20 0 HBADRO CC[NH+](CC)C1CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC1 ZINC001186631903 1071567738 /nfs/dbraw/zinc/56/77/38/1071567738.db2.gz YACUJJHHSAJXCM-KKUMJFAQSA-N 1 0 411.547 -0.147 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001186634528 1071567711 /nfs/dbraw/zinc/56/77/11/1071567711.db2.gz AGPZRXAOPPAXFN-KKUMJFAQSA-N 1 0 419.526 -0.102 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001186634985 1071568332 /nfs/dbraw/zinc/56/83/32/1071568332.db2.gz FYROSFWFHAJPGF-GMOBBJLQSA-N 1 0 424.527 -0.981 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001186635092 1071568301 /nfs/dbraw/zinc/56/83/01/1071568301.db2.gz GPDYJTMLZXYUQF-KKUMJFAQSA-N 1 0 411.547 -0.051 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001186635383 1071568935 /nfs/dbraw/zinc/56/89/35/1071568935.db2.gz JXGLEFOOCGXCKQ-UGUYLWEFSA-N 1 0 411.547 -0.243 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001186635386 1071568785 /nfs/dbraw/zinc/56/87/85/1071568785.db2.gz JXGLEFOOCGXCKQ-VGWMRTNUSA-N 1 0 411.547 -0.243 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001186635680 1071568830 /nfs/dbraw/zinc/56/88/30/1071568830.db2.gz KXJCBJSGWINFRN-AVGNSLFASA-N 1 0 418.498 -0.647 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001186637250 1071569909 /nfs/dbraw/zinc/56/99/09/1071569909.db2.gz XJTZSJRLWUTMMN-UGUYLWEFSA-N 1 0 411.547 -0.099 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001186637252 1071569709 /nfs/dbraw/zinc/56/97/09/1071569709.db2.gz XJTZSJRLWUTMMN-VGWMRTNUSA-N 1 0 411.547 -0.099 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001186638901 1071570505 /nfs/dbraw/zinc/57/05/05/1071570505.db2.gz JDGMTRCRGOXTMC-GESPQZGRSA-N 1 0 411.547 -0.243 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001186638909 1071570473 /nfs/dbraw/zinc/57/04/73/1071570473.db2.gz JLJNAVPITGJRDX-AVGNSLFASA-N 1 0 409.462 -0.349 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001186638958 1071570437 /nfs/dbraw/zinc/57/04/37/1071570437.db2.gz LMVMUJJOXLYUNJ-AVGNSLFASA-N 1 0 416.482 -0.244 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001186639002 1071570921 /nfs/dbraw/zinc/57/09/21/1071570921.db2.gz MWBGHZZRQQGQJI-ZOGPMHITSA-N 1 0 409.531 -0.348 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001186639119 1071571469 /nfs/dbraw/zinc/57/14/69/1071571469.db2.gz QPWQFANWUDOJCP-BWJWTDLKSA-N 1 0 411.547 -0.245 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001186639120 1071571433 /nfs/dbraw/zinc/57/14/33/1071571433.db2.gz QPWQFANWUDOJCP-JLHDYFKBSA-N 1 0 411.547 -0.245 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001186639121 1071571482 /nfs/dbraw/zinc/57/14/82/1071571482.db2.gz QPWQFANWUDOJCP-MDLJMBGESA-N 1 0 411.547 -0.245 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001186639122 1071571569 /nfs/dbraw/zinc/57/15/69/1071571569.db2.gz QPWQFANWUDOJCP-WNZSCWOMSA-N 1 0 411.547 -0.245 20 0 HBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001186639170 1071571527 /nfs/dbraw/zinc/57/15/27/1071571527.db2.gz SHMJLAYRSGWDIU-NUXNZHGMSA-N 1 0 417.510 -0.567 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC[N@@H+]2CC[C@@H]2C1)C(N)=O ZINC001186646107 1071572561 /nfs/dbraw/zinc/57/25/61/1071572561.db2.gz JPFFOVMMUHUBGH-BFHYXJOUSA-N 1 0 411.503 -0.434 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC[N@@H+]2CC[C@H]2C1)C(N)=O ZINC001186646108 1071572473 /nfs/dbraw/zinc/57/24/73/1071572473.db2.gz JPFFOVMMUHUBGH-MELADBBJSA-N 1 0 411.503 -0.434 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC2(C1)C[NH+](C)C2)C(N)=O ZINC001186646345 1071572953 /nfs/dbraw/zinc/57/29/53/1071572953.db2.gz NBGVEBWRBKKVTR-QWHCGFSZSA-N 1 0 411.503 -0.576 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC(C)([NH+](C)C)C1)C(N)=O ZINC001186646488 1071572924 /nfs/dbraw/zinc/57/29/24/1071572924.db2.gz QGVLSFYFOJMLIC-QWHCGFSZSA-N 1 0 413.519 -0.188 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N[C@H]1CCC[N@H+](C)C1)C(N)=O ZINC001186648786 1071572973 /nfs/dbraw/zinc/57/29/73/1071572973.db2.gz FMZDNIWIAPYJTN-MELADBBJSA-N 1 0 413.519 -0.140 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)n1cnc(C[NH3+])cc1=N)C(N)=O ZINC001186648892 1071572943 /nfs/dbraw/zinc/57/29/43/1071572943.db2.gz GSNAPDCOQQDCBO-CMPLNLGQSA-N 1 0 423.474 -0.875 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)n1ccc(C[NH3+])cc1=N)C(N)=O ZINC001186649475 1071573473 /nfs/dbraw/zinc/57/34/73/1071573473.db2.gz OJLKBYCOCDJGTF-WCQYABFASA-N 1 0 422.486 -0.270 20 0 HBADRO C[C@H](C[NH+](C)C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650050 1071573463 /nfs/dbraw/zinc/57/34/63/1071573463.db2.gz TYFJMWAVXBFYEF-FRRDWIJNSA-N 1 0 401.508 -0.284 20 0 HBADRO C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650051 1071573590 /nfs/dbraw/zinc/57/35/90/1071573590.db2.gz TYFJMWAVXBFYEF-RWMBFGLXSA-N 1 0 401.508 -0.284 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)n1cc(C[NH3+])cnc1=N)C(N)=O ZINC001186650861 1071573914 /nfs/dbraw/zinc/57/39/14/1071573914.db2.gz JPQRENIGUVXEHT-CMPLNLGQSA-N 1 0 423.474 -0.875 20 0 HBADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001186651307 1071573866 /nfs/dbraw/zinc/57/38/66/1071573866.db2.gz RHZOELUVBLVBTP-MELADBBJSA-N 1 0 413.519 -0.282 20 0 HBADRO N=c1cc(C[NH3+])ncn1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186660168 1071574488 /nfs/dbraw/zinc/57/44/88/1071574488.db2.gz SSULDMDLRASJAT-IRXDYDNUSA-N 1 0 421.461 -0.051 20 0 HBADRO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186662825 1071575019 /nfs/dbraw/zinc/57/50/19/1071575019.db2.gz RJKCFZSXPRCPIS-IRXDYDNUSA-N 1 0 409.531 -0.438 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001186663328 1071575447 /nfs/dbraw/zinc/57/54/47/1071575447.db2.gz IIEPXWDHBSQINS-MVJTYMMSSA-N 1 0 421.542 -0.345 20 0 HBADRO N=c1ncc(C[NH3+])cn1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186663386 1071576053 /nfs/dbraw/zinc/57/60/53/1071576053.db2.gz WSQJCUJVLSPYLC-IRXDYDNUSA-N 1 0 421.461 -0.051 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC001186666972 1071564829 /nfs/dbraw/zinc/56/48/29/1071564829.db2.gz NSLQUCMWCLMQBO-ROUUACIJSA-N 1 0 421.542 -0.341 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001186667024 1071564782 /nfs/dbraw/zinc/56/47/82/1071564782.db2.gz PPMYFQIQCYQKRH-IKGGRYGDSA-N 1 0 405.499 -0.979 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001186667025 1071564839 /nfs/dbraw/zinc/56/48/39/1071564839.db2.gz PPMYFQIQCYQKRH-ULQDDVLXSA-N 1 0 405.499 -0.979 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001186667048 1071564934 /nfs/dbraw/zinc/56/49/34/1071564934.db2.gz QGSOHJMNVRLPLC-ROUUACIJSA-N 1 0 419.526 -0.589 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001186667246 1071564912 /nfs/dbraw/zinc/56/49/12/1071564912.db2.gz VHQQDAZIMQEHDA-MHORFTMASA-N 1 0 419.526 -0.876 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(C)([NH+](C)C)C1 ZINC001186667297 1071565010 /nfs/dbraw/zinc/56/50/10/1071565010.db2.gz WXVXANPMJXWUHV-HOTGVXAUSA-N 1 0 407.515 -0.733 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001186669877 1071566092 /nfs/dbraw/zinc/56/60/92/1071566092.db2.gz WPQQHSSSGOEXIN-ULQDDVLXSA-N 1 0 407.515 -0.685 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001186670454 1071566635 /nfs/dbraw/zinc/56/66/35/1071566635.db2.gz JNHKFEYYRCPQLE-FIKGOQFSSA-N 1 0 421.542 -0.295 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001186670455 1071566511 /nfs/dbraw/zinc/56/65/11/1071566511.db2.gz JNHKFEYYRCPQLE-XGHQBKJUSA-N 1 0 421.542 -0.295 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(C)(C)CC[NH+](C)C ZINC001186670507 1071567091 /nfs/dbraw/zinc/56/70/91/1071567091.db2.gz LGOXRTJGTXLCRM-IRXDYDNUSA-N 1 0 423.558 -0.049 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001186670623 1071567193 /nfs/dbraw/zinc/56/71/93/1071567193.db2.gz OXMAHIPEYNVBSQ-ULQDDVLXSA-N 1 0 407.515 -0.828 20 0 HBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001186670743 1071567664 /nfs/dbraw/zinc/56/76/64/1071567664.db2.gz UPZJYDSBIRGVMR-IRXDYDNUSA-N 1 0 416.482 -0.403 20 0 HBADRO CN1CCN(C(=O)CC2CCN(S(=O)(=O)C[C@@H]3CN(C)CCO3)CC2)CC1 ZINC001186689517 1071576506 /nfs/dbraw/zinc/57/65/06/1071576506.db2.gz WEWOGCDAQUWZTI-KRWDZBQOSA-N 1 0 402.561 -0.477 20 0 HBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001186697480 1071576988 /nfs/dbraw/zinc/57/69/88/1071576988.db2.gz NKHYHKZPIZOGIR-HNNXBMFYSA-N 1 0 409.574 -0.168 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001186697483 1071576921 /nfs/dbraw/zinc/57/69/21/1071576921.db2.gz NKHYHKZPIZOGIR-OAHLLOKOSA-N 1 0 409.574 -0.168 20 0 HBADRO COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001186709048 1071577560 /nfs/dbraw/zinc/57/75/60/1071577560.db2.gz WBJOREGRHAXPCD-HNNXBMFYSA-N 1 0 424.458 -0.668 20 0 HBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001186715488 1071577409 /nfs/dbraw/zinc/57/74/09/1071577409.db2.gz HVIDLILFKXBHRO-ZIAGYGMSSA-N 1 0 407.471 -0.600 20 0 HBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001186716839 1071577006 /nfs/dbraw/zinc/57/70/06/1071577006.db2.gz JHHWXNLCIPJFMC-DRANZPFZSA-N 1 0 419.482 -0.110 20 0 HBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001186717251 1071578049 /nfs/dbraw/zinc/57/80/49/1071578049.db2.gz OYKWBVNEHBBKAV-HUUCEWRRSA-N 1 0 420.514 -0.571 20 0 HBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001186718395 1071578013 /nfs/dbraw/zinc/57/80/13/1071578013.db2.gz YEZONXXJJNTOGI-NXEZZACHSA-N 1 0 416.456 -0.935 20 0 HBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001186718402 1071577925 /nfs/dbraw/zinc/57/79/25/1071577925.db2.gz YIPHEKBEZIBEPE-VXGBXAGGSA-N 1 0 423.470 -0.693 20 0 HBADRO CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186809087 1071580185 /nfs/dbraw/zinc/58/01/85/1071580185.db2.gz DZXFIHXBYMAWGE-BLLLJJGKSA-N 1 0 401.420 -0.841 20 0 HBADRO CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186809088 1071580152 /nfs/dbraw/zinc/58/01/52/1071580152.db2.gz DZXFIHXBYMAWGE-LRDDRELGSA-N 1 0 401.420 -0.841 20 0 HBADRO CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186809089 1071580278 /nfs/dbraw/zinc/58/02/78/1071580278.db2.gz DZXFIHXBYMAWGE-MLGOLLRUSA-N 1 0 401.420 -0.841 20 0 HBADRO CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186809090 1071580271 /nfs/dbraw/zinc/58/02/71/1071580271.db2.gz DZXFIHXBYMAWGE-WBMJQRKESA-N 1 0 401.420 -0.841 20 0 HBADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccccc2N2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001186915928 1071581793 /nfs/dbraw/zinc/58/17/93/1071581793.db2.gz ZRSLNHXADNVYTP-NAHOJYEASA-N 1 0 409.483 -0.988 20 0 HBADRO COc1ccc(CN2C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)CC2=O)c(OC)c1 ZINC001186968768 1071582334 /nfs/dbraw/zinc/58/23/34/1071582334.db2.gz QHBPMDSLLHNPRM-CQSZACIVSA-N 1 0 424.458 -0.283 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)NC[C@H]1CCCCO1 ZINC001187029337 1071582347 /nfs/dbraw/zinc/58/23/47/1071582347.db2.gz JIGDIASWQFFZMZ-CVEARBPZSA-N 1 0 409.574 -0.120 20 0 HBADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001187079592 1071583430 /nfs/dbraw/zinc/58/34/30/1071583430.db2.gz VWJSZLQILNDJFS-VXGBXAGGSA-N 1 0 407.489 -0.221 20 0 HBADRO C[NH+](C)CCCn1cc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1 ZINC001187169513 1071585213 /nfs/dbraw/zinc/58/52/13/1071585213.db2.gz PEJIAJGIZNSPGR-LCWAXJCOSA-N 1 0 422.482 -0.243 20 0 HBADRO C[NH+](C)CCCn1cc(Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cn1 ZINC001187169518 1071585134 /nfs/dbraw/zinc/58/51/34/1071585134.db2.gz PEJIAJGIZNSPGR-SLHNCBLASA-N 1 0 422.482 -0.243 20 0 HBADRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001187301714 1071588259 /nfs/dbraw/zinc/58/82/59/1071588259.db2.gz GEIOUWKITZAVIM-GFOCRRMGSA-N 1 0 403.439 -0.821 20 0 HBADRO O=C(CN1CCC(=O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001187323297 1071586726 /nfs/dbraw/zinc/58/67/26/1071586726.db2.gz QRIFXBPXXROUNF-JKSUJKDBSA-N 1 0 419.507 -0.907 20 0 HBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001187333944 1071587268 /nfs/dbraw/zinc/58/72/68/1071587268.db2.gz FNXBZLKZTTYRRO-UHFFFAOYSA-N 1 0 424.564 -0.344 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CCC(=O)C2)c2nonc21 ZINC001187335526 1071587322 /nfs/dbraw/zinc/58/73/22/1071587322.db2.gz DNJHMUXYGOVNKM-UHFFFAOYSA-N 1 0 410.456 -0.960 20 0 HBADRO CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001187491657 1071591907 /nfs/dbraw/zinc/59/19/07/1071591907.db2.gz KRNDPEZNKGRAOY-ZDUSSCGKSA-N 1 0 408.521 -0.067 20 0 HBADRO CO[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001187512371 1071590782 /nfs/dbraw/zinc/59/07/82/1071590782.db2.gz CQARDWCAPYRKKU-WNRNVDISSA-N 1 0 415.494 -0.476 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001187512736 1071590769 /nfs/dbraw/zinc/59/07/69/1071590769.db2.gz GQFABXPHPQXSNB-PJFSTRORSA-N 1 0 405.430 -0.531 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001187512737 1071590905 /nfs/dbraw/zinc/59/09/05/1071590905.db2.gz GQFABXPHPQXSNB-PTAUBWNISA-N 1 0 405.430 -0.531 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001187512738 1071590693 /nfs/dbraw/zinc/59/06/93/1071590693.db2.gz GQFABXPHPQXSNB-SPKLELGKSA-N 1 0 405.430 -0.531 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001187512739 1071590893 /nfs/dbraw/zinc/59/08/93/1071590893.db2.gz GQFABXPHPQXSNB-UHYGZKCKSA-N 1 0 405.430 -0.531 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001187512754 1071590928 /nfs/dbraw/zinc/59/09/28/1071590928.db2.gz HIEGQAOEVNUQMB-HNNXBMFYSA-N 1 0 411.466 -0.648 20 0 HBADRO CCOC(=O)C1CC[NH+](C2CCN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001187513588 1071591319 /nfs/dbraw/zinc/59/13/19/1071591319.db2.gz OTYKKVZFLMTDMK-INIZCTEOSA-N 1 0 408.499 -0.353 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001187516812 1071591843 /nfs/dbraw/zinc/59/18/43/1071591843.db2.gz FILVHEMKLGQZAN-BBWFWOEESA-N 1 0 401.467 -0.722 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001187516813 1071592005 /nfs/dbraw/zinc/59/20/05/1071592005.db2.gz FILVHEMKLGQZAN-IKGGRYGDSA-N 1 0 401.467 -0.722 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001187516814 1071591929 /nfs/dbraw/zinc/59/19/29/1071591929.db2.gz FILVHEMKLGQZAN-ULQDDVLXSA-N 1 0 401.467 -0.722 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001187516815 1071591865 /nfs/dbraw/zinc/59/18/65/1071591865.db2.gz FILVHEMKLGQZAN-ZACQAIPSSA-N 1 0 401.467 -0.722 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001187517248 1071592427 /nfs/dbraw/zinc/59/24/27/1071592427.db2.gz KPRQMOVUFOBOCE-ZTENYAIWSA-N 1 0 401.467 -0.424 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)CCC2 ZINC001187517428 1071592942 /nfs/dbraw/zinc/59/29/42/1071592942.db2.gz LTSGJUKZIHLERW-HNNXBMFYSA-N 1 0 418.498 -0.789 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001187517439 1071592789 /nfs/dbraw/zinc/59/27/89/1071592789.db2.gz MEDDGXUTUSGFHE-OIISXLGYSA-N 1 0 404.442 -0.116 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001187517440 1071592831 /nfs/dbraw/zinc/59/28/31/1071592831.db2.gz MEDDGXUTUSGFHE-PVAVHDDUSA-N 1 0 404.442 -0.116 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001187517441 1071592974 /nfs/dbraw/zinc/59/29/74/1071592974.db2.gz MEDDGXUTUSGFHE-UAGQMJEPSA-N 1 0 404.442 -0.116 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001187517442 1071592894 /nfs/dbraw/zinc/59/28/94/1071592894.db2.gz MEDDGXUTUSGFHE-XIRDDKMYSA-N 1 0 404.442 -0.116 20 0 HBADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC001187517488 1071592868 /nfs/dbraw/zinc/59/28/68/1071592868.db2.gz OAQZMCQIHZPJLE-OWSLCNJRSA-N 1 0 416.526 -0.022 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001187517991 1071592928 /nfs/dbraw/zinc/59/29/28/1071592928.db2.gz TYVZZWPWRQCCSX-LLGFUMIMSA-N 1 0 421.542 -0.831 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001187518002 1071592774 /nfs/dbraw/zinc/59/27/74/1071592774.db2.gz UCJVSYACAWPNGW-ZDUSSCGKSA-N 1 0 412.454 -0.906 20 0 HBADRO Cc1ccc(N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001187518433 1071593390 /nfs/dbraw/zinc/59/33/90/1071593390.db2.gz WRJMBJHXOJZRIM-AUSJPIAWSA-N 1 0 416.482 -0.576 20 0 HBADRO Cc1ccc(N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001187518437 1071593440 /nfs/dbraw/zinc/59/34/40/1071593440.db2.gz WRJMBJHXOJZRIM-AVYPCKFXSA-N 1 0 416.482 -0.576 20 0 HBADRO Cc1ccc(N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001187518439 1071593399 /nfs/dbraw/zinc/59/33/99/1071593399.db2.gz WRJMBJHXOJZRIM-QEEYODRMSA-N 1 0 416.482 -0.576 20 0 HBADRO Cc1ccc(N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001187518441 1071593336 /nfs/dbraw/zinc/59/33/36/1071593336.db2.gz WRJMBJHXOJZRIM-SIFCLUCFSA-N 1 0 416.482 -0.576 20 0 HBADRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)CCC2 ZINC001187518446 1071593345 /nfs/dbraw/zinc/59/33/45/1071593345.db2.gz WTGJKAWCFXKDCJ-AWEZNQCLSA-N 1 0 406.487 -0.912 20 0 HBADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001187519455 1071593831 /nfs/dbraw/zinc/59/38/31/1071593831.db2.gz NHXNYAIWXGURPZ-NSHDSACASA-N 1 0 414.388 -0.025 20 0 HBADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)CNC(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001187521271 1071594187 /nfs/dbraw/zinc/59/41/87/1071594187.db2.gz YBPPDCDQDLRGQN-ILXRZTDVSA-N 1 0 423.514 -0.561 20 0 HBADRO COC(=O)[C@@]1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1 ZINC001187524591 1071594363 /nfs/dbraw/zinc/59/43/63/1071594363.db2.gz RDGRBXYCUCUTJT-MGPUTAFESA-N 1 0 402.451 -0.685 20 0 HBADRO COC(=O)[C@]1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1 ZINC001187524592 1071594303 /nfs/dbraw/zinc/59/43/03/1071594303.db2.gz RDGRBXYCUCUTJT-YWZLYKJASA-N 1 0 402.451 -0.685 20 0 HBADRO [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187525688 1071594783 /nfs/dbraw/zinc/59/47/83/1071594783.db2.gz ICAVSCXHURLDLG-HNNXBMFYSA-N 1 0 401.467 -0.983 20 0 HBADRO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC2)c1 ZINC001187526304 1071594716 /nfs/dbraw/zinc/59/47/16/1071594716.db2.gz OMZBFJHFLPQZSZ-KRWDZBQOSA-N 1 0 416.478 -0.051 20 0 HBADRO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)S(C)(=O)=O)c(F)c1 ZINC001187526446 1071594801 /nfs/dbraw/zinc/59/48/01/1071594801.db2.gz SWOCIMANPVHNFO-PELKAZGASA-N 1 0 418.422 -0.328 20 0 HBADRO C[N@H+](C1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)C1)[C@H]1CCOC1 ZINC001187533342 1071595241 /nfs/dbraw/zinc/59/52/41/1071595241.db2.gz CRYVXHYFKQHNQM-WDSOQIARSA-N 1 0 414.506 -0.076 20 0 HBADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1)[C@@H]1CCC(=O)N1 ZINC001187534816 1071595757 /nfs/dbraw/zinc/59/57/57/1071595757.db2.gz PXVVUPQBWPKDRS-IRXDYDNUSA-N 1 0 408.462 -0.213 20 0 HBADRO C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187535294 1071595853 /nfs/dbraw/zinc/59/58/53/1071595853.db2.gz ZDJXVLVPOQXYTM-BZSNNMDCSA-N 1 0 402.495 -0.219 20 0 HBADRO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187535295 1071595623 /nfs/dbraw/zinc/59/56/23/1071595623.db2.gz ZDJXVLVPOQXYTM-SQNIBIBYSA-N 1 0 402.495 -0.219 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541325 1071596159 /nfs/dbraw/zinc/59/61/59/1071596159.db2.gz IZWTUCPKZIYEFR-HOTGVXAUSA-N 1 0 404.467 -0.657 20 0 HBADRO C[NH+]1CCC(CO)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187541642 1071596310 /nfs/dbraw/zinc/59/63/10/1071596310.db2.gz RADYKGONKMIXKW-IRXDYDNUSA-N 1 0 402.495 -0.435 20 0 HBADRO C[N@@H+]1CCCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187542548 1071596256 /nfs/dbraw/zinc/59/62/56/1071596256.db2.gz TWGIGIFQZWNVNL-OALUTQOASA-N 1 0 415.538 -0.254 20 0 HBADRO CS(=O)(=O)N(CC[NH3+])C(=O)Cn1cnc2c1ncnc2NC(=O)c1ccccc1 ZINC001187605674 1071597114 /nfs/dbraw/zinc/59/71/14/1071597114.db2.gz OFBBZVUNAYFXCH-UHFFFAOYSA-N 1 0 417.451 -0.175 20 0 HBADRO COCCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001187860106 1071599028 /nfs/dbraw/zinc/59/90/28/1071599028.db2.gz UJMXJEHIJOAYGA-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC001187891131 1071600256 /nfs/dbraw/zinc/60/02/56/1071600256.db2.gz JTTLYVCEPOSVOU-UHFFFAOYSA-N 1 0 411.590 -0.081 20 0 HBADRO COCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001187899792 1071599577 /nfs/dbraw/zinc/59/95/77/1071599577.db2.gz HXALUWGVKVBRSF-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)cn1C ZINC001187997188 1071600771 /nfs/dbraw/zinc/60/07/71/1071600771.db2.gz GVMWCFAXBCTWEU-UHFFFAOYSA-N 1 0 419.573 -0.149 20 0 HBADRO CN(C)c1nccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001187999318 1071600849 /nfs/dbraw/zinc/60/08/49/1071600849.db2.gz NXOHGNCAMXXOOW-UHFFFAOYSA-N 1 0 403.531 -0.147 20 0 HBADRO Cc1n[nH]cc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001188053389 1071600759 /nfs/dbraw/zinc/60/07/59/1071600759.db2.gz XSZVPSYFZGOULQ-LSDHHAIUSA-N 1 0 402.480 -0.102 20 0 HBADRO CNS(=O)(=O)c1ccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cc1 ZINC001188105597 1071601969 /nfs/dbraw/zinc/60/19/69/1071601969.db2.gz ISNMMVNRMVYHIS-UHFFFAOYSA-N 1 0 419.507 -0.100 20 0 HBADRO Cc1nccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1 ZINC001188174729 1071603025 /nfs/dbraw/zinc/60/30/25/1071603025.db2.gz UEBGLACTGGUSSK-GOEBONIOSA-N 1 0 414.491 -0.035 20 0 HBADRO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(=O)[nH]c1=O ZINC001188282001 1071604425 /nfs/dbraw/zinc/60/44/25/1071604425.db2.gz UJKXDDDXAJVGNZ-AWEZNQCLSA-N 1 0 423.495 -0.947 20 0 HBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccccc1CN1CC[NH+](C)CC1)C2 ZINC001188346947 1071604398 /nfs/dbraw/zinc/60/43/98/1071604398.db2.gz LJWCUAVTRPUNAB-JOCHJYFZSA-N 1 0 413.522 -0.003 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccccc1CN1CC[NH+](C)CC1)C2 ZINC001188346948 1071604414 /nfs/dbraw/zinc/60/44/14/1071604414.db2.gz LJWCUAVTRPUNAB-QFIPXVFZSA-N 1 0 413.522 -0.003 20 0 HBADRO COC(=O)CCS(=O)(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001188362310 1071604392 /nfs/dbraw/zinc/60/43/92/1071604392.db2.gz BOWPSGXQYRLHFC-HNNXBMFYSA-N 1 0 415.516 -0.280 20 0 HBADRO COC(=O)CCS(=O)(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001188362316 1071604406 /nfs/dbraw/zinc/60/44/06/1071604406.db2.gz BOWPSGXQYRLHFC-OAHLLOKOSA-N 1 0 415.516 -0.280 20 0 HBADRO COC(=O)CCS(=O)(=O)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001188364149 1071605013 /nfs/dbraw/zinc/60/50/13/1071605013.db2.gz WBAINBGOKCPDKE-UHFFFAOYSA-N 1 0 415.516 -0.011 20 0 HBADRO COC(=O)CCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001188364171 1071605004 /nfs/dbraw/zinc/60/50/04/1071605004.db2.gz WIOMYWQCJFSLCR-UHFFFAOYSA-N 1 0 404.533 -0.951 20 0 HBADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccccc2CN2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001188370718 1071606429 /nfs/dbraw/zinc/60/64/29/1071606429.db2.gz KZZOBSDSLKRBPC-RHFVWNJJSA-N 1 0 423.510 -0.992 20 0 HBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001188459262 1071608341 /nfs/dbraw/zinc/60/83/41/1071608341.db2.gz FNGPVBAODKKJFM-HNNXBMFYSA-N 1 0 408.480 -0.055 20 0 HBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001188459263 1071608414 /nfs/dbraw/zinc/60/84/14/1071608414.db2.gz FNGPVBAODKKJFM-OAHLLOKOSA-N 1 0 408.480 -0.055 20 0 HBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CCC1=O ZINC001188510906 1071609294 /nfs/dbraw/zinc/60/92/94/1071609294.db2.gz GKRIJWXDGVZEFB-UHFFFAOYSA-N 1 0 411.528 -0.297 20 0 HBADRO C[NH+](C)CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC001188524294 1071608966 /nfs/dbraw/zinc/60/89/66/1071608966.db2.gz ZWEOCMRXNXSOSZ-OAHLLOKOSA-N 1 0 411.528 -0.251 20 0 HBADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001188538613 1071611184 /nfs/dbraw/zinc/61/11/84/1071611184.db2.gz QVWMVQRQHOZADQ-INIZCTEOSA-N 1 0 409.574 -0.072 20 0 HBADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001188538619 1071611194 /nfs/dbraw/zinc/61/11/94/1071611194.db2.gz QVWMVQRQHOZADQ-MRXNPFEDSA-N 1 0 409.574 -0.072 20 0 HBADRO COC(=O)[C@H](Cc1cncn1C)NS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188553892 1071610052 /nfs/dbraw/zinc/61/00/52/1071610052.db2.gz CAEYXTNWQPNNAW-HNNXBMFYSA-N 1 0 409.468 -0.286 20 0 HBADRO COC(=O)[C@@H](Cc1cncn1C)NS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188553893 1071610012 /nfs/dbraw/zinc/61/00/12/1071610012.db2.gz CAEYXTNWQPNNAW-OAHLLOKOSA-N 1 0 409.468 -0.286 20 0 HBADRO O=C(c1cccnn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001188671674 1071612919 /nfs/dbraw/zinc/61/29/19/1071612919.db2.gz QWMGMJNPTHDIMX-DZGCQCFKSA-N 1 0 400.464 -0.344 20 0 HBADRO Cc1cccc(C)c1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001189060505 1071617293 /nfs/dbraw/zinc/61/72/93/1071617293.db2.gz XZPMDFRJFUGFKF-JZUNMBGUSA-N 1 0 414.422 -0.942 20 0 HBADRO COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c(OC)nn1 ZINC001189065114 1071617314 /nfs/dbraw/zinc/61/73/14/1071617314.db2.gz CYHFRFAQXFWESS-UHFFFAOYSA-N 1 0 420.514 -0.196 20 0 HBADRO COc1cc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(OC)nn1 ZINC001189065250 1071617253 /nfs/dbraw/zinc/61/72/53/1071617253.db2.gz JKNOXWPKFNWYAZ-UHFFFAOYSA-N 1 0 404.427 -0.028 20 0 HBADRO COc1cc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(OC)n1 ZINC001189087351 1071618060 /nfs/dbraw/zinc/61/80/60/1071618060.db2.gz BEPNRWBGJOZCEW-UHFFFAOYSA-N 1 0 404.427 -0.028 20 0 HBADRO COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)nc(OC)n1 ZINC001189088632 1071618017 /nfs/dbraw/zinc/61/80/17/1071618017.db2.gz KOYVVEFNXHYIQU-UHFFFAOYSA-N 1 0 420.514 -0.196 20 0 HBADRO Nc1ncncc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001189109355 1071617270 /nfs/dbraw/zinc/61/72/70/1071617270.db2.gz NYAYXCLPCBTLPT-GXTWGEPZSA-N 1 0 415.479 -0.762 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cncnc2N)c2nonc21 ZINC001189120400 1071618419 /nfs/dbraw/zinc/61/84/19/1071618419.db2.gz BUHGITJJLGZMHN-UHFFFAOYSA-N 1 0 406.428 -0.549 20 0 HBADRO O=C(c1ccc(CO)o1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001189150855 1071619065 /nfs/dbraw/zinc/61/90/65/1071619065.db2.gz UUXMMBPAKADBDA-GOEBONIOSA-N 1 0 418.475 -0.049 20 0 HBADRO COc1cc(OC)nc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001189223118 1071619613 /nfs/dbraw/zinc/61/96/13/1071619613.db2.gz GNZBSVXYLVSZON-UHFFFAOYSA-N 1 0 404.427 -0.028 20 0 HBADRO COc1cc(OC)nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001189223184 1071619698 /nfs/dbraw/zinc/61/96/98/1071619698.db2.gz INAGYAMNOLDUDX-UHFFFAOYSA-N 1 0 420.514 -0.196 20 0 HBADRO Nc1cn(C(=O)c2cnc(N3CCOCC3)nc2)ccc1=[NH+]CCN1CCOCC1 ZINC001189382371 1071620663 /nfs/dbraw/zinc/62/06/63/1071620663.db2.gz XKVPPJCWLAWGLA-UHFFFAOYSA-N 1 0 413.482 -0.382 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189384675 1071620811 /nfs/dbraw/zinc/62/08/11/1071620811.db2.gz PVNWZPTXAYZKSQ-UHFFFAOYSA-N 1 0 422.467 -0.451 20 0 HBADRO Cn1c(=O)cc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)n(C)c1=O ZINC001189427749 1071621830 /nfs/dbraw/zinc/62/18/30/1071621830.db2.gz AGZDYJUMOMHYIC-UHFFFAOYSA-N 1 0 410.438 -0.589 20 0 HBADRO Cn1c(=O)cc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)n(C)c1=O ZINC001189427927 1071622401 /nfs/dbraw/zinc/62/24/01/1071622401.db2.gz CDPSWSJVHXDIBP-UHFFFAOYSA-N 1 0 409.450 -0.332 20 0 HBADRO CO[C@@H]1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001189428496 1071622332 /nfs/dbraw/zinc/62/23/32/1071622332.db2.gz FRMOZPJUHOMTML-CGTJXYLNSA-N 1 0 413.478 -0.160 20 0 HBADRO Cn1c(=O)cc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)n(C)c1=O ZINC001189428717 1071622470 /nfs/dbraw/zinc/62/24/70/1071622470.db2.gz HFQOQXHVPHEUTE-KCQAQPDRSA-N 1 0 400.439 -0.855 20 0 HBADRO Cc1ccc(N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001189429358 1071622894 /nfs/dbraw/zinc/62/28/94/1071622894.db2.gz JEHLJZWUWIYZKK-JLTOFOAXSA-N 1 0 414.466 -0.260 20 0 HBADRO Cc1ccc(N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001189429361 1071622863 /nfs/dbraw/zinc/62/28/63/1071622863.db2.gz JEHLJZWUWIYZKK-VBKZILBWSA-N 1 0 414.466 -0.260 20 0 HBADRO Cc1ccc(N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001189429363 1071622867 /nfs/dbraw/zinc/62/28/67/1071622867.db2.gz JEHLJZWUWIYZKK-VLIAUNLRSA-N 1 0 414.466 -0.260 20 0 HBADRO Cc1ccc(N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001189429365 1071622842 /nfs/dbraw/zinc/62/28/42/1071622842.db2.gz JEHLJZWUWIYZKK-XOBRGWDASA-N 1 0 414.466 -0.260 20 0 HBADRO Cn1c(=O)cc(C(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)n(C)c1=O ZINC001189429561 1071622880 /nfs/dbraw/zinc/62/28/80/1071622880.db2.gz KYJSBOFYHUIBOK-UHFFFAOYSA-N 1 0 404.471 -0.595 20 0 HBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)O2)CC1 ZINC001189429901 1071622845 /nfs/dbraw/zinc/62/28/45/1071622845.db2.gz LSVAZHBNQYRRRS-IIBYNOLFSA-N 1 0 419.526 -0.515 20 0 HBADRO CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC001189430830 1071623487 /nfs/dbraw/zinc/62/34/87/1071623487.db2.gz UAICBMAAIAKJQY-UHFFFAOYSA-N 1 0 406.483 -0.036 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cc(=O)n(C)c(=O)n1C)CCC2 ZINC001189431387 1071623764 /nfs/dbraw/zinc/62/37/64/1071623764.db2.gz YHXKAEDFAVDQLF-UHFFFAOYSA-N 1 0 416.482 -0.473 20 0 HBADRO Cn1c(=O)cc(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)n(C)c1=O ZINC001189437181 1071624441 /nfs/dbraw/zinc/62/44/41/1071624441.db2.gz MEMJOENGKZRJGM-KGLIPLIRSA-N 1 0 421.498 -0.245 20 0 HBADRO COC(=O)[C@]1(NC(=O)c2cc(=O)n(C)c(=O)n2C)CC[N@H+](Cc2ccccc2)C1 ZINC001189437477 1071624385 /nfs/dbraw/zinc/62/43/85/1071624385.db2.gz RSUGLNFASCVWLP-FQEVSTJZSA-N 1 0 400.435 -0.369 20 0 HBADRO COC(=O)[C@@]1(NC(=O)c2cc(=O)n(C)c(=O)n2C)CC[N@H+](Cc2ccccc2)C1 ZINC001189437478 1071624340 /nfs/dbraw/zinc/62/43/40/1071624340.db2.gz RSUGLNFASCVWLP-HXUWFJFHSA-N 1 0 400.435 -0.369 20 0 HBADRO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)c2cc(=O)n(C)c(=O)n2C)S(C)(=O)=O)c(F)c1 ZINC001189443284 1071624803 /nfs/dbraw/zinc/62/48/03/1071624803.db2.gz SLSJMKFBSOYLSE-MRVPVSSYSA-N 1 0 416.406 -0.012 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001189481127 1071625358 /nfs/dbraw/zinc/62/53/58/1071625358.db2.gz BYZCRUKSOMQWGT-CYBMUJFWSA-N 1 0 400.467 -0.046 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001189481128 1071625421 /nfs/dbraw/zinc/62/54/21/1071625421.db2.gz BYZCRUKSOMQWGT-ZDUSSCGKSA-N 1 0 400.467 -0.046 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1ccc(=O)n(C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001189487914 1071624758 /nfs/dbraw/zinc/62/47/58/1071624758.db2.gz MWFKYXWFJQIGGL-INIZCTEOSA-N 1 0 401.471 -0.239 20 0 HBADRO Cn1nnc2c1CCN(C(=O)c1ccc(=O)n(C)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001189487915 1071624807 /nfs/dbraw/zinc/62/48/07/1071624807.db2.gz MWFKYXWFJQIGGL-MRXNPFEDSA-N 1 0 401.471 -0.239 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(=O)n(C)n2)c2nonc21 ZINC001189497581 1071625410 /nfs/dbraw/zinc/62/54/10/1071625410.db2.gz GUTGLHSPYVMKTB-UHFFFAOYSA-N 1 0 421.439 -0.828 20 0 HBADRO O=C(c1c[nH]c(=O)[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001189542099 1071625883 /nfs/dbraw/zinc/62/58/83/1071625883.db2.gz GGGSEEGYVCAGFY-WCQYABFASA-N 1 0 404.452 -0.705 20 0 HBADRO COc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1OC ZINC001189568658 1071626910 /nfs/dbraw/zinc/62/69/10/1071626910.db2.gz CZVBWDJHIQTXSX-CKEIUWERSA-N 1 0 417.484 -0.194 20 0 HBADRO COc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1OC ZINC001189568660 1071626906 /nfs/dbraw/zinc/62/69/06/1071626906.db2.gz CZVBWDJHIQTXSX-CPUCHLNUSA-N 1 0 417.484 -0.194 20 0 HBADRO COc1cc(S(N)(=O)=O)cc(C(=O)NCCN2CCC[N@H+](C)CC2)c1OC ZINC001189570169 1071626965 /nfs/dbraw/zinc/62/69/65/1071626965.db2.gz UWJSZVPCTQOACG-UHFFFAOYSA-N 1 0 400.501 -0.282 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccn(C)c(=O)c2)c2nonc21 ZINC001189649103 1071628655 /nfs/dbraw/zinc/62/86/55/1071628655.db2.gz CRVBPXBZAUGDQP-UHFFFAOYSA-N 1 0 420.451 -0.223 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001189683183 1071628030 /nfs/dbraw/zinc/62/80/30/1071628030.db2.gz JPHJDKWODHZIIJ-UHFFFAOYSA-N 1 0 413.544 -0.290 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC001189683202 1071628076 /nfs/dbraw/zinc/62/80/76/1071628076.db2.gz KAXQNAYQHRPXAT-KRWDZBQOSA-N 1 0 421.560 -0.520 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC001189683203 1071627964 /nfs/dbraw/zinc/62/79/64/1071627964.db2.gz KAXQNAYQHRPXAT-QGZVFWFLSA-N 1 0 421.560 -0.520 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001189684145 1071628044 /nfs/dbraw/zinc/62/80/44/1071628044.db2.gz QWKDGMYULBPBMT-DLBZAZTESA-N 1 0 403.545 -0.004 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001189684146 1071627943 /nfs/dbraw/zinc/62/79/43/1071627943.db2.gz QWKDGMYULBPBMT-IAGOWNOFSA-N 1 0 403.545 -0.004 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001189684147 1071628090 /nfs/dbraw/zinc/62/80/90/1071628090.db2.gz QWKDGMYULBPBMT-IRXDYDNUSA-N 1 0 403.545 -0.004 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001189684148 1071628601 /nfs/dbraw/zinc/62/86/01/1071628601.db2.gz QWKDGMYULBPBMT-SJORKVTESA-N 1 0 403.545 -0.004 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC001189685029 1071628505 /nfs/dbraw/zinc/62/85/05/1071628505.db2.gz UUKLWLJGUGMPGU-UHFFFAOYSA-N 1 0 419.544 -0.230 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001189685671 1071628618 /nfs/dbraw/zinc/62/86/18/1071628618.db2.gz YOIZNOUIVVTIMU-UHFFFAOYSA-N 1 0 423.495 -0.666 20 0 HBADRO CN(C)c1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001189842999 1071630912 /nfs/dbraw/zinc/63/09/12/1071630912.db2.gz ASYSNIKFEDRMGX-UHFFFAOYSA-N 1 0 403.531 -0.147 20 0 HBADRO Cc1nc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n[nH]1 ZINC001189864280 1071630418 /nfs/dbraw/zinc/63/04/18/1071630418.db2.gz HSOJZCHVOUDROO-QWHCGFSZSA-N 1 0 403.468 -0.707 20 0 HBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001190179372 1071635448 /nfs/dbraw/zinc/63/54/48/1071635448.db2.gz OBZJDGLPDRYUHM-UHFFFAOYSA-N 1 0 421.523 -0.076 20 0 HBADRO CN(C[C@@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001190179791 1071635382 /nfs/dbraw/zinc/63/53/82/1071635382.db2.gz TXCAJUHSUBOJCO-INIZCTEOSA-N 1 0 410.606 -0.443 20 0 HBADRO CN(C[C@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001190179792 1071635321 /nfs/dbraw/zinc/63/53/21/1071635321.db2.gz TXCAJUHSUBOJCO-MRXNPFEDSA-N 1 0 410.606 -0.443 20 0 HBADRO Nc1cn(C(=O)c2cc(CN3CCOCC3)on2)ccc1=[NH+]CCN1CCOCC1 ZINC001190195530 1071635429 /nfs/dbraw/zinc/63/54/29/1071635429.db2.gz YNZQHTWHSVJZDZ-UHFFFAOYSA-N 1 0 416.482 -0.188 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC1 ZINC001190200381 1071635387 /nfs/dbraw/zinc/63/53/87/1071635387.db2.gz ZPQJQNSXRCAQDP-PBHICJAKSA-N 1 0 401.533 -0.594 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC001190200382 1071635472 /nfs/dbraw/zinc/63/54/72/1071635472.db2.gz ZPQJQNSXRCAQDP-RHSMWYFYSA-N 1 0 401.533 -0.594 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC001190200383 1071635361 /nfs/dbraw/zinc/63/53/61/1071635361.db2.gz ZPQJQNSXRCAQDP-WMLDXEAASA-N 1 0 401.533 -0.594 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)CC1 ZINC001190200384 1071636119 /nfs/dbraw/zinc/63/61/19/1071636119.db2.gz ZPQJQNSXRCAQDP-YOEHRIQHSA-N 1 0 401.533 -0.594 20 0 HBADRO CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001190429925 1071639703 /nfs/dbraw/zinc/63/97/03/1071639703.db2.gz YBROZQBODNLIPZ-AREMUKBSSA-N 1 0 423.601 -0.270 20 0 HBADRO CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001190429928 1071639739 /nfs/dbraw/zinc/63/97/39/1071639739.db2.gz YBROZQBODNLIPZ-SANMLTNESA-N 1 0 423.601 -0.270 20 0 HBADRO [NH3+]CCN(CCNC(=O)c1cc(I)c[nH]c1=O)N(O)N=O ZINC001190614310 1071642426 /nfs/dbraw/zinc/64/24/26/1071642426.db2.gz PGMXPCOAJYNZOA-UHFFFAOYSA-N 1 0 410.172 -0.330 20 0 HBADRO CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001190662338 1071643016 /nfs/dbraw/zinc/64/30/16/1071643016.db2.gz GONCBRXVMODOQX-UHFFFAOYSA-N 1 0 404.558 -0.267 20 0 HBADRO CN(C)c1cncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001190725277 1071644742 /nfs/dbraw/zinc/64/47/42/1071644742.db2.gz UUROPPYVZGXRMF-UHFFFAOYSA-N 1 0 403.531 -0.147 20 0 HBADRO Nc1cn(C(=O)c2cncc(N3CCOCC3)n2)ccc1=[NH+]CCN1CCOCC1 ZINC001190760151 1071644714 /nfs/dbraw/zinc/64/47/14/1071644714.db2.gz SFYLJTWICFWFFE-UHFFFAOYSA-N 1 0 413.482 -0.382 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cncc(N2CCOCC2)n1 ZINC001190763853 1071644830 /nfs/dbraw/zinc/64/48/30/1071644830.db2.gz FMXUSLGTLFLFNI-UHFFFAOYSA-N 1 0 422.467 -0.451 20 0 HBADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001190828849 1071646100 /nfs/dbraw/zinc/64/61/00/1071646100.db2.gz XJFPRRPSUODXJR-UHFFFAOYSA-N 1 0 421.464 -0.295 20 0 HBADRO O=C(CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)NCC[NH+]1CCCCCC1 ZINC001190838387 1071645914 /nfs/dbraw/zinc/64/59/14/1071645914.db2.gz HKVFKUCUFNSNQE-HNNXBMFYSA-N 1 0 409.574 -0.277 20 0 HBADRO O=C(CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)NCC[NH+]1CCCCCC1 ZINC001190838403 1071646122 /nfs/dbraw/zinc/64/61/22/1071646122.db2.gz HKVFKUCUFNSNQE-OAHLLOKOSA-N 1 0 409.574 -0.277 20 0 HBADRO COc1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001190957853 1071647906 /nfs/dbraw/zinc/64/79/06/1071647906.db2.gz IZMKGGJOYSJWMO-UHFFFAOYSA-N 1 0 420.557 -0.601 20 0 HBADRO Cn1c(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c[nH]c1=O ZINC001190988119 1071647846 /nfs/dbraw/zinc/64/78/46/1071647846.db2.gz VCWWUUDDAWLVDC-GXTWGEPZSA-N 1 0 418.479 -0.695 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2c[nH]c(=O)n2C)c2nonc21 ZINC001191002655 1071648570 /nfs/dbraw/zinc/64/85/70/1071648570.db2.gz GRFHWEMQPAWTCG-UHFFFAOYSA-N 1 0 409.428 -0.482 20 0 HBADRO Cc1c[nH]c(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1 ZINC001191096623 1071650847 /nfs/dbraw/zinc/65/08/47/1071650847.db2.gz NYGXDPRBJRYCIC-UONOGXRCSA-N 1 0 402.480 -0.102 20 0 HBADRO O=C(c1cnc(=O)[nH]c1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001191172522 1071651435 /nfs/dbraw/zinc/65/14/35/1071651435.db2.gz DIJWDFPTKCQJLN-UONOGXRCSA-N 1 0 416.463 -0.638 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnc(=O)[nH]c2)c2nonc21 ZINC001191182170 1071651903 /nfs/dbraw/zinc/65/19/03/1071651903.db2.gz CLANLKWZBOEQDE-UHFFFAOYSA-N 1 0 407.412 -0.426 20 0 HBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC001191317836 1071653852 /nfs/dbraw/zinc/65/38/52/1071653852.db2.gz NPISGCUHWPAODJ-CYBMUJFWSA-N 1 0 400.501 -0.330 20 0 HBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC001191317838 1071653826 /nfs/dbraw/zinc/65/38/26/1071653826.db2.gz NPISGCUHWPAODJ-ZDUSSCGKSA-N 1 0 400.501 -0.330 20 0 HBADRO C[NH+]1CCC(CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)(N2CCOCC2)CC1 ZINC001191339540 1071652901 /nfs/dbraw/zinc/65/29/01/1071652901.db2.gz DNYIENJDRNCOLN-INIZCTEOSA-N 1 0 423.601 -0.473 20 0 HBADRO C[NH+]1CCC(CNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)(N2CCOCC2)CC1 ZINC001191339541 1071653060 /nfs/dbraw/zinc/65/30/60/1071653060.db2.gz DNYIENJDRNCOLN-MRXNPFEDSA-N 1 0 423.601 -0.473 20 0 HBADRO COC(=O)c1cc(S(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)n(C)c1 ZINC001191339963 1071653037 /nfs/dbraw/zinc/65/30/37/1071653037.db2.gz JAMSXUPIRFOPOJ-UHFFFAOYSA-N 1 0 414.528 -0.113 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ncc[nH]c2=O)c2nonc21 ZINC001191516606 1071655095 /nfs/dbraw/zinc/65/50/95/1071655095.db2.gz GKPQTDZDYJFSAH-UHFFFAOYSA-N 1 0 407.412 -0.838 20 0 HBADRO O=C(c1cn[nH]c(=O)c1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001191566713 1071657863 /nfs/dbraw/zinc/65/78/63/1071657863.db2.gz XCJNCBGJIQKRCA-UONOGXRCSA-N 1 0 416.463 -0.638 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cn[nH]c(=O)c2)c2nonc21 ZINC001191581632 1071656621 /nfs/dbraw/zinc/65/66/21/1071656621.db2.gz RJICZZSKKHCRTE-UHFFFAOYSA-N 1 0 407.412 -0.426 20 0 HBADRO COC(=O)CNC(=O)CC[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC001191683488 1071659227 /nfs/dbraw/zinc/65/92/27/1071659227.db2.gz WVAHYPWAOXOFAN-UHFFFAOYSA-N 1 0 406.483 -0.278 20 0 HBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC001191693544 1071659266 /nfs/dbraw/zinc/65/92/66/1071659266.db2.gz PDFFUKYTOBJHKQ-AWEZNQCLSA-N 1 0 418.541 -0.654 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC001191693546 1071659321 /nfs/dbraw/zinc/65/93/21/1071659321.db2.gz PDFFUKYTOBJHKQ-CQSZACIVSA-N 1 0 418.541 -0.654 20 0 HBADRO Cc1nc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)no1 ZINC001191993005 1071662311 /nfs/dbraw/zinc/66/23/11/1071662311.db2.gz CAHRQOFWKFHLDF-QWHCGFSZSA-N 1 0 404.452 -0.442 20 0 HBADRO CCCCCC[C@](O)(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)OC ZINC001192041939 1071663359 /nfs/dbraw/zinc/66/33/59/1071663359.db2.gz IMKJVFFWRDJYPS-BQFCYCMXSA-N 1 0 406.545 -0.052 20 0 HBADRO CCCCCC[C@](O)(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)OC ZINC001192041940 1071663405 /nfs/dbraw/zinc/66/34/05/1071663405.db2.gz IMKJVFFWRDJYPS-JZXOWHBKSA-N 1 0 406.545 -0.052 20 0 HBADRO CCCCCC[C@](O)(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)OC ZINC001192041941 1071663350 /nfs/dbraw/zinc/66/33/50/1071663350.db2.gz IMKJVFFWRDJYPS-NUJGCVRESA-N 1 0 406.545 -0.052 20 0 HBADRO CCCCCC[C@](O)(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)OC ZINC001192041942 1071663268 /nfs/dbraw/zinc/66/32/68/1071663268.db2.gz IMKJVFFWRDJYPS-RYRKJORJSA-N 1 0 406.545 -0.052 20 0 HBADRO COc1cc2c(cc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1)OCC(=O)N2 ZINC001192066635 1071664003 /nfs/dbraw/zinc/66/40/03/1071664003.db2.gz PLXBQBVHHKIJLI-UHFFFAOYSA-N 1 0 412.468 -0.579 20 0 HBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1=O ZINC001192066811 1071663924 /nfs/dbraw/zinc/66/39/24/1071663924.db2.gz XCSGFPIURHJKQU-UHFFFAOYSA-N 1 0 418.903 -0.401 20 0 HBADRO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC001192066818 1071664663 /nfs/dbraw/zinc/66/46/63/1071664663.db2.gz XIYATMZJWDHPBD-UHFFFAOYSA-N 1 0 422.511 -0.211 20 0 HBADRO C[C@H](CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C[NH+]1CCOCC1 ZINC001192080042 1071664033 /nfs/dbraw/zinc/66/40/33/1071664033.db2.gz FVEISEZKYBRKTA-CVEARBPZSA-N 1 0 409.574 -0.911 20 0 HBADRO C[C@@H](CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C[NH+]1CCOCC1 ZINC001192080044 1071663878 /nfs/dbraw/zinc/66/38/78/1071663878.db2.gz FVEISEZKYBRKTA-HOTGVXAUSA-N 1 0 409.574 -0.911 20 0 HBADRO C[C@H](CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C[NH+]1CCOCC1 ZINC001192080047 1071663960 /nfs/dbraw/zinc/66/39/60/1071663960.db2.gz FVEISEZKYBRKTA-HZPDHXFCSA-N 1 0 409.574 -0.911 20 0 HBADRO C[C@@H](CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C[NH+]1CCOCC1 ZINC001192080048 1071664043 /nfs/dbraw/zinc/66/40/43/1071664043.db2.gz FVEISEZKYBRKTA-JKSUJKDBSA-N 1 0 409.574 -0.911 20 0 HBADRO O=C(NCCC[NH+](CCO)CCO)NCc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001192112166 1071664668 /nfs/dbraw/zinc/66/46/68/1071664668.db2.gz ZFJDLWJESCDPGW-UHFFFAOYSA-N 1 0 407.423 -0.002 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001192343902 1071666394 /nfs/dbraw/zinc/66/63/94/1071666394.db2.gz CETYGMLZRAGNSC-HIFRSBDPSA-N 1 0 413.544 -0.021 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001192343904 1071666979 /nfs/dbraw/zinc/66/69/79/1071666979.db2.gz CETYGMLZRAGNSC-ZFWWWQNUSA-N 1 0 413.544 -0.021 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001192353247 1071666862 /nfs/dbraw/zinc/66/68/62/1071666862.db2.gz GQMMNIXWHDVBCF-CABCVRRESA-N 1 0 404.533 -0.065 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001192353253 1071666808 /nfs/dbraw/zinc/66/68/08/1071666808.db2.gz GQMMNIXWHDVBCF-GJZGRUSLSA-N 1 0 404.533 -0.065 20 0 HBADRO O=C(c1ccn[nH]c1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001192390269 1071668145 /nfs/dbraw/zinc/66/81/45/1071668145.db2.gz NWDKIJDTMBTXLQ-UONOGXRCSA-N 1 0 416.463 -0.638 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccn[nH]c2=O)c2nonc21 ZINC001192404406 1071668615 /nfs/dbraw/zinc/66/86/15/1071668615.db2.gz SYWWGWQFYWKRRH-UHFFFAOYSA-N 1 0 407.412 -0.426 20 0 HBADRO CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001192680051 1071670927 /nfs/dbraw/zinc/67/09/27/1071670927.db2.gz IHTPINRZGCMFMK-GOSISDBHSA-N 1 0 404.577 -0.841 20 0 HBADRO CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001192680052 1071670942 /nfs/dbraw/zinc/67/09/42/1071670942.db2.gz IHTPINRZGCMFMK-SFHVURJKSA-N 1 0 404.577 -0.841 20 0 HBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001192714795 1071672040 /nfs/dbraw/zinc/67/20/40/1071672040.db2.gz BUKOVNYLMIHTBT-UHFFFAOYSA-N 1 0 416.569 -0.195 20 0 HBADRO C[NH+]1CCN(CC2CN(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001192715504 1071672012 /nfs/dbraw/zinc/67/20/12/1071672012.db2.gz QQCMXLGTKPPCPO-UHFFFAOYSA-N 1 0 417.576 -0.037 20 0 HBADRO Cc1cnncc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001192929222 1071674427 /nfs/dbraw/zinc/67/44/27/1071674427.db2.gz VESOQXZNEUJRBG-JKSUJKDBSA-N 1 0 414.491 -0.035 20 0 HBADRO CCc1cccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001192982509 1071675004 /nfs/dbraw/zinc/67/50/04/1071675004.db2.gz BNBDUMYPFMKJNW-LZDVPDMXSA-N 1 0 414.422 -0.996 20 0 HBADRO CCOC(=O)C(C)(C)S(=O)(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001193036235 1071675581 /nfs/dbraw/zinc/67/55/81/1071675581.db2.gz XCGUTCBZSIZIGL-UHFFFAOYSA-N 1 0 416.500 -0.004 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(S(=O)(=O)C[C@@H]1CCCO1)CC2 ZINC001193235157 1071681856 /nfs/dbraw/zinc/68/18/56/1071681856.db2.gz UQGLPVYWUGCOIY-INIZCTEOSA-N 1 0 402.561 -0.335 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(S(=O)(=O)C[C@H]1CCCO1)CC2 ZINC001193235158 1071681743 /nfs/dbraw/zinc/68/17/43/1071681743.db2.gz UQGLPVYWUGCOIY-MRXNPFEDSA-N 1 0 402.561 -0.335 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(CO)cn2)c2nonc21 ZINC001193323829 1071683486 /nfs/dbraw/zinc/68/34/86/1071683486.db2.gz QCJVTSFFCZKKMA-UHFFFAOYSA-N 1 0 420.451 -0.034 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cccc(OCCO)c1O ZINC001193327227 1071683512 /nfs/dbraw/zinc/68/35/12/1071683512.db2.gz UJIQZDBHNAVMCG-UHFFFAOYSA-N 1 0 411.436 -0.001 20 0 HBADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001193402968 1071684573 /nfs/dbraw/zinc/68/45/73/1071684573.db2.gz ROVQERJXAIMMLT-INIZCTEOSA-N 1 0 411.590 -0.112 20 0 HBADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001193402971 1071685207 /nfs/dbraw/zinc/68/52/07/1071685207.db2.gz ROVQERJXAIMMLT-MRXNPFEDSA-N 1 0 411.590 -0.112 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001193424098 1071685847 /nfs/dbraw/zinc/68/58/47/1071685847.db2.gz DNIUIJFUPQHCJD-UHFFFAOYSA-N 1 0 408.550 -0.992 20 0 HBADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001193565488 1071687026 /nfs/dbraw/zinc/68/70/26/1071687026.db2.gz YJELRBPSPFCPRX-CYBMUJFWSA-N 1 0 404.533 -0.017 20 0 HBADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001193565492 1071687691 /nfs/dbraw/zinc/68/76/91/1071687691.db2.gz YJELRBPSPFCPRX-ZDUSSCGKSA-N 1 0 404.533 -0.017 20 0 HBADRO Cn1ccnc1S(=O)(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001193572389 1071687670 /nfs/dbraw/zinc/68/76/70/1071687670.db2.gz JVSNGUDYLBCQOG-HNNXBMFYSA-N 1 0 409.516 -0.051 20 0 HBADRO Cn1ccnc1S(=O)(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001193572390 1071687683 /nfs/dbraw/zinc/68/76/83/1071687683.db2.gz JVSNGUDYLBCQOG-OAHLLOKOSA-N 1 0 409.516 -0.051 20 0 HBADRO COC(=O)CC1([NH2+]CC(=O)N2CCC3(CC2)OCCO3)CCS(=O)(=O)CC1 ZINC001193594411 1071688644 /nfs/dbraw/zinc/68/86/44/1071688644.db2.gz SKFAZAJZLZTMKP-UHFFFAOYSA-N 1 0 404.485 -0.548 20 0 HBADRO Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001193597124 1071689343 /nfs/dbraw/zinc/68/93/43/1071689343.db2.gz CZIULUXDOKNEHQ-UHFFFAOYSA-N 1 0 404.449 -0.349 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ncccc1C(N)=O)CC2 ZINC001193606337 1071689532 /nfs/dbraw/zinc/68/95/32/1071689532.db2.gz BFPFNMBMDYQKEQ-UHFFFAOYSA-N 1 0 402.499 -0.509 20 0 HBADRO CNS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC001193689872 1071689800 /nfs/dbraw/zinc/68/98/00/1071689800.db2.gz KRFPUKWFWKVWQP-UHFFFAOYSA-N 1 0 418.585 -0.306 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc(-n2cncn2)nc1 ZINC001193690506 1071689895 /nfs/dbraw/zinc/68/98/95/1071689895.db2.gz NDAGSTXSURDSDR-UHFFFAOYSA-N 1 0 403.424 -0.102 20 0 HBADRO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001193724557 1071690638 /nfs/dbraw/zinc/69/06/38/1071690638.db2.gz KSTXUMWWOIRHNK-GOSISDBHSA-N 1 0 419.544 -0.182 20 0 HBADRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001193724558 1071690759 /nfs/dbraw/zinc/69/07/59/1071690759.db2.gz KSTXUMWWOIRHNK-SFHVURJKSA-N 1 0 419.544 -0.182 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2c(C)nn3cccnc23)CC1=O ZINC001193728618 1071690785 /nfs/dbraw/zinc/69/07/85/1071690785.db2.gz CKVZYHFNOPTDGP-AWEZNQCLSA-N 1 0 410.500 -0.505 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2c(C)nn3cccnc23)CC1=O ZINC001193728621 1071690654 /nfs/dbraw/zinc/69/06/54/1071690654.db2.gz CKVZYHFNOPTDGP-CQSZACIVSA-N 1 0 410.500 -0.505 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)CC1=O ZINC001193728622 1071690551 /nfs/dbraw/zinc/69/05/51/1071690551.db2.gz CLKJMMTUSNZFOG-HNNXBMFYSA-N 1 0 413.496 -0.069 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)CC1=O ZINC001193728624 1071690710 /nfs/dbraw/zinc/69/07/10/1071690710.db2.gz CLKJMMTUSNZFOG-OAHLLOKOSA-N 1 0 413.496 -0.069 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cc(C(N)=O)oc2C)CC1=O ZINC001193729599 1071690580 /nfs/dbraw/zinc/69/05/80/1071690580.db2.gz HGSHDRKRMGLARA-GFCCVEGCSA-N 1 0 402.473 -0.856 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cc(C(N)=O)oc2C)CC1=O ZINC001193729601 1071690772 /nfs/dbraw/zinc/69/07/72/1071690772.db2.gz HGSHDRKRMGLARA-LBPRGKRZSA-N 1 0 402.473 -0.856 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730107 1071690668 /nfs/dbraw/zinc/69/06/68/1071690668.db2.gz MVUBHJQGOHWPNW-GFCCVEGCSA-N 1 0 403.457 -0.476 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730108 1071690737 /nfs/dbraw/zinc/69/07/37/1071690737.db2.gz MVUBHJQGOHWPNW-LBPRGKRZSA-N 1 0 403.457 -0.476 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cccnc2C(=O)OC)CC1=O ZINC001193730525 1071691248 /nfs/dbraw/zinc/69/12/48/1071691248.db2.gz QOYGXBNVLLLXLO-CYBMUJFWSA-N 1 0 414.484 -0.674 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cccnc2C(=O)OC)CC1=O ZINC001193730526 1071691286 /nfs/dbraw/zinc/69/12/86/1071691286.db2.gz QOYGXBNVLLLXLO-ZDUSSCGKSA-N 1 0 414.484 -0.674 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccccc2C(=O)OC)CC1=O ZINC001193731040 1071691257 /nfs/dbraw/zinc/69/12/57/1071691257.db2.gz ZBVHQOMQOJXJHM-AWEZNQCLSA-N 1 0 413.496 -0.069 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccccc2C(=O)OC)CC1=O ZINC001193731041 1071691182 /nfs/dbraw/zinc/69/11/82/1071691182.db2.gz ZBVHQOMQOJXJHM-CQSZACIVSA-N 1 0 413.496 -0.069 20 0 HBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001193811321 1071692927 /nfs/dbraw/zinc/69/29/27/1071692927.db2.gz IWDJBUTUXNYZMY-UHFFFAOYSA-N 1 0 416.569 -0.005 20 0 HBADRO CC(=O)c1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1C ZINC001193827911 1071692858 /nfs/dbraw/zinc/69/28/58/1071692858.db2.gz IRTSUOKTUKRWMQ-UHFFFAOYSA-N 1 0 404.515 -0.067 20 0 HBADRO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001193848955 1071693601 /nfs/dbraw/zinc/69/36/01/1071693601.db2.gz MAKWGJQLTZCXIW-MRXNPFEDSA-N 1 0 402.561 -0.429 20 0 HBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001193881611 1071693645 /nfs/dbraw/zinc/69/36/45/1071693645.db2.gz QOMFEPDRHZAEBC-OAHLLOKOSA-N 1 0 402.561 -0.288 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cc(CO)ccn2)c2nonc21 ZINC001193933772 1071693547 /nfs/dbraw/zinc/69/35/47/1071693547.db2.gz WETIZWBLRMUMCL-UHFFFAOYSA-N 1 0 420.451 -0.034 20 0 HBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193943586 1071695150 /nfs/dbraw/zinc/69/51/50/1071695150.db2.gz DJOJJKAYUZHZIY-INIZCTEOSA-N 1 0 422.507 -0.364 20 0 HBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193943587 1071695252 /nfs/dbraw/zinc/69/52/52/1071695252.db2.gz DJOJJKAYUZHZIY-MRXNPFEDSA-N 1 0 422.507 -0.364 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193944912 1071695287 /nfs/dbraw/zinc/69/52/87/1071695287.db2.gz ZSMMCFIHRUODAS-FQEVSTJZSA-N 1 0 400.483 -0.604 20 0 HBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193944913 1071695234 /nfs/dbraw/zinc/69/52/34/1071695234.db2.gz ZSMMCFIHRUODAS-HXUWFJFHSA-N 1 0 400.483 -0.604 20 0 HBADRO C[NH+]1CCN(c2cncc(C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(N)=O)c2)CC1 ZINC001193956315 1071694238 /nfs/dbraw/zinc/69/42/38/1071694238.db2.gz VKVOETXYMDFGAG-IBGZPJMESA-N 1 0 424.505 -0.224 20 0 HBADRO Cc1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c(=O)[nH]c1C ZINC001193959612 1071694178 /nfs/dbraw/zinc/69/41/78/1071694178.db2.gz NGGBGLDDBWDGJO-UHFFFAOYSA-N 1 0 404.515 -0.303 20 0 HBADRO Cc1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)ncn1 ZINC001194051026 1071696274 /nfs/dbraw/zinc/69/62/74/1071696274.db2.gz UIOVIYPEEJUZAP-GOEBONIOSA-N 1 0 414.491 -0.035 20 0 HBADRO Cc1cnc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1 ZINC001194070012 1071696219 /nfs/dbraw/zinc/69/62/19/1071696219.db2.gz OIPGFAHXAOKSQO-LSDHHAIUSA-N 1 0 414.491 -0.035 20 0 HBADRO CS(=O)(=O)c1cncc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1 ZINC001194121240 1071697498 /nfs/dbraw/zinc/69/74/98/1071697498.db2.gz KDZRKNLNZJARFV-UHFFFAOYSA-N 1 0 414.465 -0.279 20 0 HBADRO CS(=O)(=O)c1cncc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1 ZINC001194121590 1071697514 /nfs/dbraw/zinc/69/75/14/1071697514.db2.gz MOKPRHJQCIQZMC-UHFFFAOYSA-N 1 0 405.480 -0.210 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cncc(S(C)(=O)=O)c1)CC2 ZINC001194121967 1071697413 /nfs/dbraw/zinc/69/74/13/1071697413.db2.gz XLNFXNOFWHCPSL-UHFFFAOYSA-N 1 0 421.479 -0.037 20 0 HBADRO Cc1[nH]c(=O)ncc1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001194186129 1071698654 /nfs/dbraw/zinc/69/86/54/1071698654.db2.gz QQXNRUSEUMAALE-UHFFFAOYSA-N 1 0 421.439 -0.117 20 0 HBADRO COC(=O)c1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)[nH]n1 ZINC001194287911 1071700977 /nfs/dbraw/zinc/70/09/77/1071700977.db2.gz XTHLLHNLMRZUOK-UHFFFAOYSA-N 1 0 406.487 -0.493 20 0 HBADRO O=C(c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1)N1CCOCC1 ZINC001194424063 1071702336 /nfs/dbraw/zinc/70/23/36/1071702336.db2.gz CMQRIFKMJRWXGD-DLBZAZTESA-N 1 0 409.508 -0.011 20 0 HBADRO COCCn1cccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1=O ZINC001194486312 1071702905 /nfs/dbraw/zinc/70/29/05/1071702905.db2.gz IQFXZNJCIDHJEL-UHFFFAOYSA-N 1 0 401.467 -0.200 20 0 HBADRO O=C(OCc1ccccc1)N1CCN(S(=O)(=O)CC[NH2+]C(CO)CO)CC1 ZINC001194488836 1071702916 /nfs/dbraw/zinc/70/29/16/1071702916.db2.gz UNOYHDJXXPRONI-UHFFFAOYSA-N 1 0 401.485 -0.787 20 0 HBADRO COCCn1cccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1=O ZINC001194490662 1071703436 /nfs/dbraw/zinc/70/34/36/1071703436.db2.gz BEGHPPLBPWYYNT-UHFFFAOYSA-N 1 0 410.452 -0.270 20 0 HBADRO COCCn1cccc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1=O ZINC001194490705 1071703592 /nfs/dbraw/zinc/70/35/92/1071703592.db2.gz DBAADAHOEDCFEW-UHFFFAOYSA-N 1 0 417.466 -0.027 20 0 HBADRO C[NH+]1CCN(c2cc(Br)ccc2C(=O)NC(CO)(CO)CO)CC1 ZINC001194610833 1071704464 /nfs/dbraw/zinc/70/44/64/1071704464.db2.gz GQKWWPKWWNRAIR-UHFFFAOYSA-N 1 0 402.289 -0.354 20 0 HBADRO C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)CC1 ZINC001194612282 1071706235 /nfs/dbraw/zinc/70/62/35/1071706235.db2.gz WRQMCIUJMPKEKO-HRCADAONSA-N 1 0 424.347 -0.666 20 0 HBADRO C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)CC1 ZINC001194612283 1071706023 /nfs/dbraw/zinc/70/60/23/1071706023.db2.gz WRQMCIUJMPKEKO-JYJNAYRXSA-N 1 0 424.347 -0.666 20 0 HBADRO C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)CC1 ZINC001194612284 1071706059 /nfs/dbraw/zinc/70/60/59/1071706059.db2.gz WRQMCIUJMPKEKO-OWCLPIDISA-N 1 0 424.347 -0.666 20 0 HBADRO C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)CC1 ZINC001194612285 1071706122 /nfs/dbraw/zinc/70/61/22/1071706122.db2.gz WRQMCIUJMPKEKO-PMPSAXMXSA-N 1 0 424.347 -0.666 20 0 HBADRO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001194620009 1071706253 /nfs/dbraw/zinc/70/62/53/1071706253.db2.gz PPVMMANUYKJCLO-UHFFFAOYSA-N 1 0 418.541 -0.798 20 0 HBADRO COCCn1cncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001194645509 1071705126 /nfs/dbraw/zinc/70/51/26/1071705126.db2.gz QHIZRZHCYGMHOF-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001194646977 1071705585 /nfs/dbraw/zinc/70/55/85/1071705585.db2.gz DNFFABZAWFNAAB-UHFFFAOYSA-N 1 0 404.496 -0.335 20 0 HBADRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1 ZINC001194650432 1071706051 /nfs/dbraw/zinc/70/60/51/1071706051.db2.gz WURIEMVJMZADRE-UHFFFAOYSA-N 1 0 418.523 -0.027 20 0 HBADRO CN(CC[N@H+](C)C[C@@H](O)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001194656066 1071705977 /nfs/dbraw/zinc/70/59/77/1071705977.db2.gz OTNXYZKJGIYIFF-INIZCTEOSA-N 1 0 401.529 -0.006 20 0 HBADRO CN(CC[N@H+](C)C[C@H](O)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001194656069 1071706147 /nfs/dbraw/zinc/70/61/47/1071706147.db2.gz OTNXYZKJGIYIFF-MRXNPFEDSA-N 1 0 401.529 -0.006 20 0 HBADRO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001194656225 1071706181 /nfs/dbraw/zinc/70/61/81/1071706181.db2.gz SONPELDSKOFAOW-UHFFFAOYSA-N 1 0 404.496 -0.335 20 0 HBADRO COCCn1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)c1 ZINC001194665329 1071706640 /nfs/dbraw/zinc/70/66/40/1071706640.db2.gz CRUVRYYFQDTKCN-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO CS(=O)(=O)c1cc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)ccn1 ZINC001194680426 1071706598 /nfs/dbraw/zinc/70/65/98/1071706598.db2.gz YTYHNXWGNYNYOE-UHFFFAOYSA-N 1 0 405.480 -0.210 20 0 HBADRO CS(=O)(=O)c1cc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)ccn1 ZINC001194683094 1071707053 /nfs/dbraw/zinc/70/70/53/1071707053.db2.gz DHKJEFDPDPPWFJ-UHFFFAOYSA-N 1 0 414.465 -0.279 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccnc(S(C)(=O)=O)c1)CC2 ZINC001194683158 1071707168 /nfs/dbraw/zinc/70/71/68/1071707168.db2.gz FIJZHRYKEJDBJS-UHFFFAOYSA-N 1 0 421.479 -0.037 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cn(-c2cnccn2)cn1 ZINC001194716832 1071708350 /nfs/dbraw/zinc/70/83/50/1071708350.db2.gz RHOYLGMSPABZOA-UHFFFAOYSA-N 1 0 403.424 -0.102 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC([NH2+]C2CCOCC2)C1 ZINC001194744187 1071708118 /nfs/dbraw/zinc/70/81/18/1071708118.db2.gz KTRQPTHVGBDAJV-UHFFFAOYSA-N 1 0 403.526 -0.253 20 0 HBADRO COc1cc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n(C)n1 ZINC001194750390 1071708215 /nfs/dbraw/zinc/70/82/15/1071708215.db2.gz JDTNNPDGPKSDRY-UHFFFAOYSA-N 1 0 423.455 -0.179 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(S(=O)(=O)C1CCC(=O)CC1)CC2 ZINC001194775616 1071708873 /nfs/dbraw/zinc/70/88/73/1071708873.db2.gz PGMJWPKSWUREOT-UHFFFAOYSA-N 1 0 414.572 -0.002 20 0 HBADRO Cc1cn(C)nc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001194833672 1071709840 /nfs/dbraw/zinc/70/98/40/1071709840.db2.gz AGMYTYHSGDSDCQ-LSDHHAIUSA-N 1 0 416.507 -0.092 20 0 HBADRO Cc1c(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)ncn1C ZINC001194852348 1071709862 /nfs/dbraw/zinc/70/98/62/1071709862.db2.gz NDWVZSPTPIXEMA-LSDHHAIUSA-N 1 0 416.507 -0.092 20 0 HBADRO CS(=O)(=O)c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)c(N2CCCC2)c1 ZINC001194871178 1071710275 /nfs/dbraw/zinc/71/02/75/1071710275.db2.gz XODBQQVNTOVUSG-UHFFFAOYSA-N 1 0 414.488 -0.032 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC001194896150 1071711244 /nfs/dbraw/zinc/71/12/44/1071711244.db2.gz GKKCRDNFMCPMNB-UHFFFAOYSA-N 1 0 414.576 -0.154 20 0 HBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1 ZINC001195028183 1071712794 /nfs/dbraw/zinc/71/27/94/1071712794.db2.gz FIDXYWXPLRMLLR-UHFFFAOYSA-N 1 0 417.510 -0.641 20 0 HBADRO CN1CCN(C(=O)CC[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001195054127 1071713235 /nfs/dbraw/zinc/71/32/35/1071713235.db2.gz AUPVSMMFNVZOAC-UHFFFAOYSA-N 1 0 402.492 -0.052 20 0 HBADRO COc1nccnc1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001195095666 1071714248 /nfs/dbraw/zinc/71/42/48/1071714248.db2.gz PSIQZAONJVXGGF-UHFFFAOYSA-N 1 0 421.439 -0.123 20 0 HBADRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001195112257 1071714166 /nfs/dbraw/zinc/71/41/66/1071714166.db2.gz HSENYISIQJZGJA-INIZCTEOSA-N 1 0 408.524 -0.070 20 0 HBADRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001195112259 1071714146 /nfs/dbraw/zinc/71/41/46/1071714146.db2.gz HSENYISIQJZGJA-MRXNPFEDSA-N 1 0 408.524 -0.070 20 0 HBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)cn1C ZINC001195146711 1071714726 /nfs/dbraw/zinc/71/47/26/1071714726.db2.gz XKHIIXBSLCJKFT-UHFFFAOYSA-N 1 0 401.485 -0.152 20 0 HBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC001195156668 1071714747 /nfs/dbraw/zinc/71/47/47/1071714747.db2.gz ZBPMYOJEICSQRV-UHFFFAOYSA-N 1 0 400.501 -0.019 20 0 HBADRO COC(=O)[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+](C)C1 ZINC001195224586 1071715604 /nfs/dbraw/zinc/71/56/04/1071715604.db2.gz MKPGKPSHJYKVTK-AWEZNQCLSA-N 1 0 410.496 -0.740 20 0 HBADRO COC(=O)[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+](C)C1 ZINC001195224589 1071715755 /nfs/dbraw/zinc/71/57/55/1071715755.db2.gz MKPGKPSHJYKVTK-CQSZACIVSA-N 1 0 410.496 -0.740 20 0 HBADRO COC(=O)[C@@H]1CN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC[N@H+](C)C1 ZINC001195225249 1071715690 /nfs/dbraw/zinc/71/56/90/1071715690.db2.gz QXKUHIBGGHWRLH-BIWSTMPVSA-N 1 0 409.487 -0.445 20 0 HBADRO COC(=O)[C@H]1CN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC[N@H+](C)C1 ZINC001195225257 1071715667 /nfs/dbraw/zinc/71/56/67/1071715667.db2.gz QXKUHIBGGHWRLH-SHYRYGCCSA-N 1 0 409.487 -0.445 20 0 HBADRO Cc1cncnc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001195352692 1071717554 /nfs/dbraw/zinc/71/75/54/1071717554.db2.gz CHOJPFKVYRBFRB-LSDHHAIUSA-N 1 0 414.491 -0.035 20 0 HBADRO COc1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)nc1I ZINC001195424328 1071718955 /nfs/dbraw/zinc/71/89/55/1071718955.db2.gz KYBUSOPSMAKMJU-UHFFFAOYSA-N 1 0 424.199 -0.027 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cnccc1C(N)=O)CC2 ZINC001195431021 1071718931 /nfs/dbraw/zinc/71/89/31/1071718931.db2.gz OMPOZWDZCMRNNJ-UHFFFAOYSA-N 1 0 402.499 -0.509 20 0 HBADRO Cc1cnn(C)c1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001195513739 1071719841 /nfs/dbraw/zinc/71/98/41/1071719841.db2.gz WTIPCVJHZHHSJY-LSDHHAIUSA-N 1 0 416.507 -0.092 20 0 HBADRO Cn1cc(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)c(=O)n(C)c1=O ZINC001195530203 1071720203 /nfs/dbraw/zinc/72/02/03/1071720203.db2.gz BWJQRKHVCIAAMV-UHFFFAOYSA-N 1 0 410.438 -0.589 20 0 HBADRO Cn1cc(C(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(=O)n(C)c1=O ZINC001195531213 1071720667 /nfs/dbraw/zinc/72/06/67/1071720667.db2.gz OOIIBPPHFXPDDG-UHFFFAOYSA-N 1 0 404.471 -0.595 20 0 HBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001195533873 1071721054 /nfs/dbraw/zinc/72/10/54/1071721054.db2.gz DXXBFSMOLWVEHK-UHFFFAOYSA-N 1 0 416.482 -0.473 20 0 HBADRO CO[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001195533889 1071721072 /nfs/dbraw/zinc/72/10/72/1071721072.db2.gz FFJKEVGJINJYHF-CGTJXYLNSA-N 1 0 413.478 -0.160 20 0 HBADRO CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC001195534052 1071721070 /nfs/dbraw/zinc/72/10/70/1071721070.db2.gz IYQXSSARSMEPGB-UHFFFAOYSA-N 1 0 406.483 -0.036 20 0 HBADRO Cn1cc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)c(=O)n(C)c1=O ZINC001195534189 1071721082 /nfs/dbraw/zinc/72/10/82/1071721082.db2.gz KIZOGKSRJAXTJS-KCQAQPDRSA-N 1 0 400.439 -0.855 20 0 HBADRO Cn1cc(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001195534895 1071721470 /nfs/dbraw/zinc/72/14/70/1071721470.db2.gz PLNKUOMYYTUEEU-BLVKFPJESA-N 1 0 403.414 -0.214 20 0 HBADRO Cn1cc(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001195535279 1071721486 /nfs/dbraw/zinc/72/14/86/1071721486.db2.gz PLNKUOMYYTUEEU-BUXKBTBVSA-N 1 0 403.414 -0.214 20 0 HBADRO Cc1ccc(N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001195535294 1071721539 /nfs/dbraw/zinc/72/15/39/1071721539.db2.gz PRLORCKEHRPWBH-VBKZILBWSA-N 1 0 414.466 -0.260 20 0 HBADRO Cc1ccc(N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001195535297 1071721495 /nfs/dbraw/zinc/72/14/95/1071721495.db2.gz PRLORCKEHRPWBH-XOBRGWDASA-N 1 0 414.466 -0.260 20 0 HBADRO Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(=O)n(C)c1=O ZINC001195535587 1071721866 /nfs/dbraw/zinc/72/18/66/1071721866.db2.gz RFIQKFTXVDCXIX-IIBYNOLFSA-N 1 0 419.526 -0.515 20 0 HBADRO Cn1cc(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)c(=O)n(C)c1=O ZINC001195536204 1071722045 /nfs/dbraw/zinc/72/20/45/1071722045.db2.gz SQHYUSNFQDUETC-UHFFFAOYSA-N 1 0 409.450 -0.332 20 0 HBADRO Cn1cc(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)c(=O)n(C)c1=O ZINC001195541119 1071722743 /nfs/dbraw/zinc/72/27/43/1071722743.db2.gz KXEFTZUIHGCAOV-KGLIPLIRSA-N 1 0 421.498 -0.245 20 0 HBADRO COC(=O)[C@]1(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001195544811 1071722836 /nfs/dbraw/zinc/72/28/36/1071722836.db2.gz HGPVGYPKGXXWMR-FQEVSTJZSA-N 1 0 400.435 -0.369 20 0 HBADRO COC(=O)[C@@]1(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001195544812 1071722865 /nfs/dbraw/zinc/72/28/65/1071722865.db2.gz HGPVGYPKGXXWMR-HXUWFJFHSA-N 1 0 400.435 -0.369 20 0 HBADRO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)c2cn(C)c(=O)n(C)c2=O)S(C)(=O)=O)c(F)c1 ZINC001195549832 1071723205 /nfs/dbraw/zinc/72/32/05/1071723205.db2.gz DFLJLTKHEUXXDD-MRVPVSSYSA-N 1 0 416.406 -0.012 20 0 HBADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001195638008 1071724690 /nfs/dbraw/zinc/72/46/90/1071724690.db2.gz FJUAPICMZJLYTR-RBUKOAKNSA-N 1 0 422.551 -0.589 20 0 HBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)[C@H](c2ccccc2)C1 ZINC001195709361 1071726035 /nfs/dbraw/zinc/72/60/35/1071726035.db2.gz LTXLPYGKAMQLJB-IWFBPKFRSA-N 1 0 422.537 -0.293 20 0 HBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)[C@@H](c2ccccc2)C1 ZINC001195709362 1071725977 /nfs/dbraw/zinc/72/59/77/1071725977.db2.gz LTXLPYGKAMQLJB-JKBKZWBZSA-N 1 0 422.537 -0.293 20 0 HBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)[C@H](c2ccccc2)C1 ZINC001195709364 1071726112 /nfs/dbraw/zinc/72/61/12/1071726112.db2.gz LTXLPYGKAMQLJB-VNYTWHDVSA-N 1 0 422.537 -0.293 20 0 HBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)[C@@H](c2ccccc2)C1 ZINC001195709366 1071726061 /nfs/dbraw/zinc/72/60/61/1071726061.db2.gz LTXLPYGKAMQLJB-XODKDNOYSA-N 1 0 422.537 -0.293 20 0 HBADRO C[NH+](C)CCN1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1=O ZINC001195756155 1071726737 /nfs/dbraw/zinc/72/67/37/1071726737.db2.gz CQVAXRMNTABOGL-UHFFFAOYSA-N 1 0 405.455 -0.188 20 0 HBADRO COc1cnc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)o1 ZINC001195795228 1071727114 /nfs/dbraw/zinc/72/71/14/1071727114.db2.gz FUCIDACYYXJYSH-QWHCGFSZSA-N 1 0 419.463 -0.137 20 0 HBADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195809070 1071727083 /nfs/dbraw/zinc/72/70/83/1071727083.db2.gz HAUSTSYQBXEJIT-HUUCEWRRSA-N 1 0 415.487 -0.260 20 0 HBADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810763 1071727657 /nfs/dbraw/zinc/72/76/57/1071727657.db2.gz VJZQHKMZFPUBTO-CABCVRRESA-N 1 0 413.496 -0.761 20 0 HBADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810771 1071727761 /nfs/dbraw/zinc/72/77/61/1071727761.db2.gz VJZQHKMZFPUBTO-GJZGRUSLSA-N 1 0 413.496 -0.761 20 0 HBADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810773 1071727608 /nfs/dbraw/zinc/72/76/08/1071727608.db2.gz VJZQHKMZFPUBTO-HUUCEWRRSA-N 1 0 413.496 -0.761 20 0 HBADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810775 1071727720 /nfs/dbraw/zinc/72/77/20/1071727720.db2.gz VJZQHKMZFPUBTO-LSDHHAIUSA-N 1 0 413.496 -0.761 20 0 HBADRO Cc1c[nH]nc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001195895011 1071728113 /nfs/dbraw/zinc/72/81/13/1071728113.db2.gz UIAYCQQDPFTSQG-UONOGXRCSA-N 1 0 402.480 -0.102 20 0 HBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001195919017 1071728699 /nfs/dbraw/zinc/72/86/99/1071728699.db2.gz RKKWIXVANDZNLH-INIZCTEOSA-N 1 0 423.601 -0.090 20 0 HBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001195919018 1071728488 /nfs/dbraw/zinc/72/84/88/1071728488.db2.gz RKKWIXVANDZNLH-MRXNPFEDSA-N 1 0 423.601 -0.090 20 0 HBADRO NC(=O)C1([NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 ZINC001195920393 1071728756 /nfs/dbraw/zinc/72/87/56/1071728756.db2.gz ZGAMVQBXQGZYJU-UHFFFAOYSA-N 1 0 410.496 -0.856 20 0 HBADRO CCOC(=O)CS(=O)(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001195950380 1071730249 /nfs/dbraw/zinc/73/02/49/1071730249.db2.gz KTVKDRBGDITMEA-UHFFFAOYSA-N 1 0 404.533 -0.951 20 0 HBADRO CCOC(=O)CS(=O)(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001195950811 1071730682 /nfs/dbraw/zinc/73/06/82/1071730682.db2.gz NTUPJXYGIVRLCG-HNNXBMFYSA-N 1 0 415.516 -0.280 20 0 HBADRO CCOC(=O)CS(=O)(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001195950812 1071730656 /nfs/dbraw/zinc/73/06/56/1071730656.db2.gz NTUPJXYGIVRLCG-OAHLLOKOSA-N 1 0 415.516 -0.280 20 0 HBADRO CCOC(=O)CS(=O)(=O)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001195951072 1071730643 /nfs/dbraw/zinc/73/06/43/1071730643.db2.gz PQBOWBNAEZPAPR-UHFFFAOYSA-N 1 0 415.516 -0.011 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1c[nH]c(=S)[nH]c1=O)CC2 ZINC001196012929 1071731454 /nfs/dbraw/zinc/73/14/54/1071731454.db2.gz FBTZISBWACBESY-UHFFFAOYSA-N 1 0 408.528 -0.219 20 0 HBADRO CS(=O)(=O)Cc1ncccc1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001196048981 1071732439 /nfs/dbraw/zinc/73/24/39/1071732439.db2.gz NMQNHYLIZQDHFT-UHFFFAOYSA-N 1 0 419.507 -0.069 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 ZINC001196052684 1071732010 /nfs/dbraw/zinc/73/20/10/1071732010.db2.gz PYOGZVHBCSIKHW-UHFFFAOYSA-N 1 0 409.574 -0.767 20 0 HBADRO Cc1ncc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1C ZINC001196069812 1071732874 /nfs/dbraw/zinc/73/28/74/1071732874.db2.gz XCRNZUKGSAJDKH-GOEBONIOSA-N 1 0 416.507 -0.092 20 0 HBADRO COC(=O)c1cc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc(N(C)S(C)(=O)=O)c1 ZINC001196081287 1071733360 /nfs/dbraw/zinc/73/33/60/1071733360.db2.gz JNXOHRUCCQGSMW-UHFFFAOYSA-N 1 0 407.470 -0.771 20 0 HBADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC001196093114 1071733378 /nfs/dbraw/zinc/73/33/78/1071733378.db2.gz LZZKMSGWTOIRQB-AZQPONJRSA-N 1 0 403.483 -0.243 20 0 HBADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC001196093115 1071733316 /nfs/dbraw/zinc/73/33/16/1071733316.db2.gz LZZKMSGWTOIRQB-KFZJALRRSA-N 1 0 403.483 -0.243 20 0 HBADRO C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC001196093116 1071733818 /nfs/dbraw/zinc/73/38/18/1071733818.db2.gz LZZKMSGWTOIRQB-OMNBBPDLSA-N 1 0 403.483 -0.243 20 0 HBADRO C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC001196093117 1071733711 /nfs/dbraw/zinc/73/37/11/1071733711.db2.gz LZZKMSGWTOIRQB-RMHZUWNSSA-N 1 0 403.483 -0.243 20 0 HBADRO CCOC(=O)CN(CC[NH3+])C(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001196119781 1071734240 /nfs/dbraw/zinc/73/42/40/1071734240.db2.gz TYWXFAFJRYFNEI-UHFFFAOYSA-N 1 0 415.468 -0.167 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cncc(=O)[nH]2)c2nonc21 ZINC001196169354 1071735246 /nfs/dbraw/zinc/73/52/46/1071735246.db2.gz OZBGSMRDDDJNTQ-UHFFFAOYSA-N 1 0 407.412 -0.838 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cc(=O)cc(C(N)=O)o1)CC2 ZINC001196194818 1071735717 /nfs/dbraw/zinc/73/57/17/1071735717.db2.gz LIZSGTNOHCPLPO-UHFFFAOYSA-N 1 0 403.395 -0.783 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cc(=O)cc(C(N)=O)o1)CC2 ZINC001196195331 1071736066 /nfs/dbraw/zinc/73/60/66/1071736066.db2.gz OEJNJKNDGLZOGP-UHFFFAOYSA-N 1 0 419.482 -0.951 20 0 HBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2cc(=O)cc(C(N)=O)o2)CC3)CC1 ZINC001196195549 1071736101 /nfs/dbraw/zinc/73/61/01/1071736101.db2.gz QKUIIWMAVHUGBN-UHFFFAOYSA-N 1 0 400.439 -0.661 20 0 HBADRO NC(=O)c1cc(=O)cc(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)o1 ZINC001196209966 1071736568 /nfs/dbraw/zinc/73/65/68/1071736568.db2.gz OLFROVUVSGCHFY-UHFFFAOYSA-N 1 0 406.420 -0.702 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccnc(CO)c2)c2nonc21 ZINC001196248132 1071737015 /nfs/dbraw/zinc/73/70/15/1071737015.db2.gz YWHDPNZKTIWAJW-UHFFFAOYSA-N 1 0 420.451 -0.034 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001196294468 1071737457 /nfs/dbraw/zinc/73/74/57/1071737457.db2.gz YAROFNQNQQOGSR-GOSISDBHSA-N 1 0 424.567 -0.086 20 0 HBADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001196294469 1071737610 /nfs/dbraw/zinc/73/76/10/1071737610.db2.gz YAROFNQNQQOGSR-SFHVURJKSA-N 1 0 424.567 -0.086 20 0 HBADRO CS(=O)(=O)c1cccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)n1 ZINC001196404525 1071738485 /nfs/dbraw/zinc/73/84/85/1071738485.db2.gz OTYNUCPNAQAGMM-UHFFFAOYSA-N 1 0 405.480 -0.210 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cccc(S(C)(=O)=O)n1)CC2 ZINC001196408792 1071738463 /nfs/dbraw/zinc/73/84/63/1071738463.db2.gz BJJMNFMBZALYDW-UHFFFAOYSA-N 1 0 421.479 -0.037 20 0 HBADRO CS(=O)(=O)c1cccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)n1 ZINC001196408975 1071738576 /nfs/dbraw/zinc/73/85/76/1071738576.db2.gz DBTXELPJUGSGQA-UHFFFAOYSA-N 1 0 414.465 -0.279 20 0 HBADRO Nc1cn(C(=O)c2nc(Br)c[nH]c2=O)ccc1=[NH+]CCN1CCOCC1 ZINC001196491021 1071740042 /nfs/dbraw/zinc/74/00/42/1071740042.db2.gz DDJBDIKRYJLIPP-UHFFFAOYSA-N 1 0 423.271 -0.163 20 0 HBADRO Cc1nc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)c[nH]c1=O ZINC001196530296 1071740030 /nfs/dbraw/zinc/74/00/30/1071740030.db2.gz ZBTQIHXZPZAALV-UHFFFAOYSA-N 1 0 421.439 -0.530 20 0 HBADRO COc1ncncc1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001196548506 1071740313 /nfs/dbraw/zinc/74/03/13/1071740313.db2.gz WFFNOUFQXMVEBB-UHFFFAOYSA-N 1 0 421.439 -0.123 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622916 1071740978 /nfs/dbraw/zinc/74/09/78/1071740978.db2.gz MRZHEBYFTZMZOE-CABCVRRESA-N 1 0 404.533 -0.063 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622924 1071741001 /nfs/dbraw/zinc/74/10/01/1071741001.db2.gz MRZHEBYFTZMZOE-GJZGRUSLSA-N 1 0 404.533 -0.063 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622925 1071740938 /nfs/dbraw/zinc/74/09/38/1071740938.db2.gz MRZHEBYFTZMZOE-HUUCEWRRSA-N 1 0 404.533 -0.063 20 0 HBADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622926 1071740918 /nfs/dbraw/zinc/74/09/18/1071740918.db2.gz MRZHEBYFTZMZOE-LSDHHAIUSA-N 1 0 404.533 -0.063 20 0 HBADRO COC(=O)CN1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001196631451 1071741040 /nfs/dbraw/zinc/74/10/40/1071741040.db2.gz FXIWCTAZJCEOEF-UHFFFAOYSA-N 1 0 412.512 -0.827 20 0 HBADRO C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]21 ZINC001196631719 1071740963 /nfs/dbraw/zinc/74/09/63/1071740963.db2.gz HVZIRFLFAJCMTN-RUYXUALKSA-N 1 0 422.551 -0.185 20 0 HBADRO O=C(C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001196676384 1071741411 /nfs/dbraw/zinc/74/14/11/1071741411.db2.gz SGPQONOERMZFRU-IRXDYDNUSA-N 1 0 407.492 -0.235 20 0 HBADRO CS(=O)(=O)c1ccc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)nc1 ZINC001196700978 1071741614 /nfs/dbraw/zinc/74/16/14/1071741614.db2.gz OQYZGGADZVMNCN-UHFFFAOYSA-N 1 0 405.480 -0.210 20 0 HBADRO CS(=O)(=O)c1ccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001196703402 1071741438 /nfs/dbraw/zinc/74/14/38/1071741438.db2.gz JWXCWWDTFYBRRV-UHFFFAOYSA-N 1 0 414.465 -0.279 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001196708328 1071742041 /nfs/dbraw/zinc/74/20/41/1071742041.db2.gz JRLSEZSOKHZASP-UHFFFAOYSA-N 1 0 421.479 -0.037 20 0 HBADRO CC[NH+](CC)CCCNC(=S)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001196720220 1071742608 /nfs/dbraw/zinc/74/26/08/1071742608.db2.gz RXPNMGSQZFRTTQ-IRXDYDNUSA-N 1 0 423.583 -0.244 20 0 HBADRO CC[NH+](CC)CCCNC(=S)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001196721917 1071742537 /nfs/dbraw/zinc/74/25/37/1071742537.db2.gz YGQIEGKJKPWUCG-IHRRRGAJSA-N 1 0 417.576 -0.247 20 0 HBADRO CC(=O)NCC(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC001196798180 1071743126 /nfs/dbraw/zinc/74/31/26/1071743126.db2.gz HLZGTCVXVHXVCD-UHFFFAOYSA-N 1 0 416.526 -0.209 20 0 HBADRO C[C@]12C[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC001196828205 1071743438 /nfs/dbraw/zinc/74/34/38/1071743438.db2.gz DLHCXEJPMCCKAD-HDICACEKSA-N 1 0 405.455 -0.353 20 0 HBADRO C[C@]12C[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@]1(C)C(=O)NC2=O ZINC001196828210 1071743632 /nfs/dbraw/zinc/74/36/32/1071743632.db2.gz DLHCXEJPMCCKAD-QZTJIDSGSA-N 1 0 405.455 -0.353 20 0 HBADRO C[C@@]12C[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC001196828212 1071743496 /nfs/dbraw/zinc/74/34/96/1071743496.db2.gz DLHCXEJPMCCKAD-ROUUACIJSA-N 1 0 405.455 -0.353 20 0 HBADRO COC(=O)CCCCS(=O)(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001196930180 1071743930 /nfs/dbraw/zinc/74/39/30/1071743930.db2.gz MERGNKHHEOLNKB-UHFFFAOYSA-N 1 0 416.500 -0.003 20 0 HBADRO CN1CC[NH+](C2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001197053026 1071745050 /nfs/dbraw/zinc/74/50/50/1071745050.db2.gz ZTLMSNUNEIWWEF-UHFFFAOYSA-N 1 0 401.577 -0.762 20 0 HBADRO O=C(c1ncc(F)cn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001197204379 1071747006 /nfs/dbraw/zinc/74/70/06/1071747006.db2.gz RMOKQDRCSRSGRD-UONOGXRCSA-N 1 0 418.454 -0.205 20 0 HBADRO COC1(OC)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197317851 1071748453 /nfs/dbraw/zinc/74/84/53/1071748453.db2.gz XGBFJARYXGVRRS-INIZCTEOSA-N 1 0 415.512 -0.562 20 0 HBADRO COC1(OC)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197317852 1071748378 /nfs/dbraw/zinc/74/83/78/1071748378.db2.gz XGBFJARYXGVRRS-MRXNPFEDSA-N 1 0 415.512 -0.562 20 0 HBADRO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001197431114 1071748867 /nfs/dbraw/zinc/74/88/67/1071748867.db2.gz CAAKKFFJRQEYRP-KRWDZBQOSA-N 1 0 402.561 -0.240 20 0 HBADRO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001197431115 1071748922 /nfs/dbraw/zinc/74/89/22/1071748922.db2.gz CAAKKFFJRQEYRP-QGZVFWFLSA-N 1 0 402.561 -0.240 20 0 HBADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001197432123 1071748947 /nfs/dbraw/zinc/74/89/47/1071748947.db2.gz NCKZLTNZCMYHOD-KRWDZBQOSA-N 1 0 424.523 -0.562 20 0 HBADRO CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001197432124 1071748953 /nfs/dbraw/zinc/74/89/53/1071748953.db2.gz NCKZLTNZCMYHOD-QGZVFWFLSA-N 1 0 424.523 -0.562 20 0 HBADRO COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001197471357 1071749434 /nfs/dbraw/zinc/74/94/34/1071749434.db2.gz LLRFXDOQJBFVQK-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)C2 ZINC001197606643 1071750500 /nfs/dbraw/zinc/75/05/00/1071750500.db2.gz GWJACCSHRPXUSU-NQIIRXRSSA-N 1 0 400.479 -0.184 20 0 HBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)C2 ZINC001197606644 1071750488 /nfs/dbraw/zinc/75/04/88/1071750488.db2.gz GWJACCSHRPXUSU-WIYYLYMNSA-N 1 0 400.479 -0.184 20 0 HBADRO COCCn1cc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cnc1=O ZINC001197700282 1071750957 /nfs/dbraw/zinc/75/09/57/1071750957.db2.gz WYCLKSLHOAHIBT-UHFFFAOYSA-N 1 0 402.455 -0.805 20 0 HBADRO COCCn1cc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)cnc1=O ZINC001197701942 1071750904 /nfs/dbraw/zinc/75/09/04/1071750904.db2.gz DBZJDXLFZQZGRY-BHYGNILZSA-N 1 0 414.466 -0.049 20 0 HBADRO COCCn1cc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)cnc1=O ZINC001197702613 1071751003 /nfs/dbraw/zinc/75/10/03/1071751003.db2.gz JIOREKIUPJGABX-UHFFFAOYSA-N 1 0 411.440 -0.875 20 0 HBADRO COCCn1cc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cnc1=O ZINC001197702664 1071750996 /nfs/dbraw/zinc/75/09/96/1071750996.db2.gz JUTDDXVEXRJOLG-UHFFFAOYSA-N 1 0 418.454 -0.632 20 0 HBADRO COCCn1cc(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cnc1=O ZINC001197702726 1071750982 /nfs/dbraw/zinc/75/09/82/1071750982.db2.gz KWDQTMAXCSXTGX-UHFFFAOYSA-N 1 0 415.498 -0.510 20 0 HBADRO COCCn1cc(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)cnc1=O ZINC001197714825 1071751870 /nfs/dbraw/zinc/75/18/70/1071751870.db2.gz NZWDXVPROWGKBO-UHFFFAOYSA-N 1 0 421.479 -0.551 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197763952 1071751850 /nfs/dbraw/zinc/75/18/50/1071751850.db2.gz MCPYLGWVRXIKQK-UHFFFAOYSA-N 1 0 407.452 -0.111 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cnn(-c2ncccn2)c1 ZINC001197829824 1071753554 /nfs/dbraw/zinc/75/35/54/1071753554.db2.gz NIZBSAGMQOWNCM-UHFFFAOYSA-N 1 0 403.424 -0.102 20 0 HBADRO CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC[NH+](CCO)CCO ZINC001197906523 1071755300 /nfs/dbraw/zinc/75/53/00/1071755300.db2.gz CUDTWRDLSFPGHX-UHFFFAOYSA-N 1 0 403.501 -0.001 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCC(O)(COCCO)CC2)CCC1 ZINC001197920655 1071754275 /nfs/dbraw/zinc/75/42/75/1071754275.db2.gz FTSFNZPQEVFVMY-HNNXBMFYSA-N 1 0 408.561 -0.176 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CCC(O)(COCCO)CC2)CCC1 ZINC001197920659 1071754136 /nfs/dbraw/zinc/75/41/36/1071754136.db2.gz FTSFNZPQEVFVMY-OAHLLOKOSA-N 1 0 408.561 -0.176 20 0 HBADRO CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)N(CC[NH3+])S(C)(=O)=O)c1 ZINC001197927604 1071754702 /nfs/dbraw/zinc/75/47/02/1071754702.db2.gz QBIBDHDQJONKNO-UHFFFAOYSA-N 1 0 412.512 -0.549 20 0 HBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC001197983231 1071756448 /nfs/dbraw/zinc/75/64/48/1071756448.db2.gz QCXQYXPQGSGROM-UHFFFAOYSA-N 1 0 419.482 -0.244 20 0 HBADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058492 1071757269 /nfs/dbraw/zinc/75/72/69/1071757269.db2.gz AWWLLVYVMJXSIK-APWZRJJASA-N 1 0 421.567 -0.010 20 0 HBADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058493 1071756991 /nfs/dbraw/zinc/75/69/91/1071756991.db2.gz AWWLLVYVMJXSIK-LPHOPBHVSA-N 1 0 421.567 -0.010 20 0 HBADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058494 1071757080 /nfs/dbraw/zinc/75/70/80/1071757080.db2.gz AWWLLVYVMJXSIK-QFBILLFUSA-N 1 0 421.567 -0.010 20 0 HBADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058495 1071757159 /nfs/dbraw/zinc/75/71/59/1071757159.db2.gz AWWLLVYVMJXSIK-VQIMIIECSA-N 1 0 421.567 -0.010 20 0 HBADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058733 1071757118 /nfs/dbraw/zinc/75/71/18/1071757118.db2.gz DEINPZDLLPZPFG-BPQIPLTHSA-N 1 0 407.540 -0.400 20 0 HBADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058737 1071757186 /nfs/dbraw/zinc/75/71/86/1071757186.db2.gz DEINPZDLLPZPFG-KBAYOESNSA-N 1 0 407.540 -0.400 20 0 HBADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058740 1071757206 /nfs/dbraw/zinc/75/72/06/1071757206.db2.gz DEINPZDLLPZPFG-NJAFHUGGSA-N 1 0 407.540 -0.400 20 0 HBADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058744 1071757668 /nfs/dbraw/zinc/75/76/68/1071757668.db2.gz DEINPZDLLPZPFG-NXHRZFHOSA-N 1 0 407.540 -0.400 20 0 HBADRO O=C(CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001198062735 1071758306 /nfs/dbraw/zinc/75/83/06/1071758306.db2.gz XBNAHDINTJRHBV-KRWDZBQOSA-N 1 0 409.512 -0.314 20 0 HBADRO O=C(CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001198062742 1071758298 /nfs/dbraw/zinc/75/82/98/1071758298.db2.gz XBNAHDINTJRHBV-QGZVFWFLSA-N 1 0 409.512 -0.314 20 0 HBADRO O=C(C[NH2+][C@H]1C(=O)NCC12CCOCC2)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC001198146532 1071758834 /nfs/dbraw/zinc/75/88/34/1071758834.db2.gz CVSSDVNWMOMTTI-INIZCTEOSA-N 1 0 404.423 -0.009 20 0 HBADRO O=C(C[NH2+][C@@H]1C(=O)NCC12CCOCC2)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC001198146533 1071758780 /nfs/dbraw/zinc/75/87/80/1071758780.db2.gz CVSSDVNWMOMTTI-MRXNPFEDSA-N 1 0 404.423 -0.009 20 0 HBADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC001198195147 1071759498 /nfs/dbraw/zinc/75/94/98/1071759498.db2.gz QRXKIYXZFKVGGR-KXBFYZLASA-N 1 0 408.524 -0.030 20 0 HBADRO O=C(C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001198346423 1071760639 /nfs/dbraw/zinc/76/06/39/1071760639.db2.gz NEOXKSXLHIURAJ-KRWDZBQOSA-N 1 0 406.527 -0.190 20 0 HBADRO O=C(C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001198346424 1071760605 /nfs/dbraw/zinc/76/06/05/1071760605.db2.gz NEOXKSXLHIURAJ-QGZVFWFLSA-N 1 0 406.527 -0.190 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001198354788 1071761898 /nfs/dbraw/zinc/76/18/98/1071761898.db2.gz RGKSCFVYWMDBOR-CVEARBPZSA-N 1 0 402.499 -0.523 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001198354791 1071762283 /nfs/dbraw/zinc/76/22/83/1071762283.db2.gz RGKSCFVYWMDBOR-HOTGVXAUSA-N 1 0 402.499 -0.523 20 0 HBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001198354793 1071762551 /nfs/dbraw/zinc/76/25/51/1071762551.db2.gz RGKSCFVYWMDBOR-HZPDHXFCSA-N 1 0 402.499 -0.523 20 0 HBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001198354796 1071762307 /nfs/dbraw/zinc/76/23/07/1071762307.db2.gz RGKSCFVYWMDBOR-JKSUJKDBSA-N 1 0 402.499 -0.523 20 0 HBADRO Cc1ncc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1C ZINC001198375723 1071761650 /nfs/dbraw/zinc/76/16/50/1071761650.db2.gz VNAODNHHUQNEKY-UHFFFAOYSA-N 1 0 412.560 -0.413 20 0 HBADRO Cc1ncc(S(=O)(=O)N2Cc3nccn3C[C@H](CN3CC[NH+](C)CC3)C2)n1C ZINC001198377177 1071761559 /nfs/dbraw/zinc/76/15/59/1071761559.db2.gz KPDAFWOASXCCEK-INIZCTEOSA-N 1 0 407.544 -0.007 20 0 HBADRO Cc1ncc(S(=O)(=O)N2Cc3nccn3C[C@@H](CN3CC[NH+](C)CC3)C2)n1C ZINC001198377178 1071761865 /nfs/dbraw/zinc/76/18/65/1071761865.db2.gz KPDAFWOASXCCEK-MRXNPFEDSA-N 1 0 407.544 -0.007 20 0 HBADRO C[NH+](C)CCN1CCN(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1=O ZINC001198413369 1071762367 /nfs/dbraw/zinc/76/23/67/1071762367.db2.gz NAFODSYHFPEWLD-UHFFFAOYSA-N 1 0 402.455 -0.024 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cnc2ccccn2c1=O ZINC001198535767 1071764204 /nfs/dbraw/zinc/76/42/04/1071764204.db2.gz XYWKYBAFDMPQOQ-UHFFFAOYSA-N 1 0 403.420 -0.070 20 0 HBADRO Cc1cn([C@H]2C[C@H](NC(=O)c3cncn3-c3cc[nH+]cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001198557182 1071765500 /nfs/dbraw/zinc/76/55/00/1071765500.db2.gz PIMPMDACNFLZRV-NUEKZKHPSA-N 1 0 412.406 -0.084 20 0 HBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198560966 1071764402 /nfs/dbraw/zinc/76/44/02/1071764402.db2.gz IMRJXWLKMODKHI-HOTGVXAUSA-N 1 0 422.449 -0.192 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)CCC1 ZINC001198573093 1071764733 /nfs/dbraw/zinc/76/47/33/1071764733.db2.gz LPAIWAVRQSPXJL-BBRMVZONSA-N 1 0 401.533 -0.282 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)CCC1 ZINC001198573100 1071764766 /nfs/dbraw/zinc/76/47/66/1071764766.db2.gz LPAIWAVRQSPXJL-CJNGLKHVSA-N 1 0 401.533 -0.282 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@](C)(Cn2cccn2)C(N)=O)CCC1 ZINC001198573102 1071764982 /nfs/dbraw/zinc/76/49/82/1071764982.db2.gz LPAIWAVRQSPXJL-CZUORRHYSA-N 1 0 401.533 -0.282 20 0 HBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@](C)(Cn2cccn2)C(N)=O)CCC1 ZINC001198573104 1071764823 /nfs/dbraw/zinc/76/48/23/1071764823.db2.gz LPAIWAVRQSPXJL-XJKSGUPXSA-N 1 0 401.533 -0.282 20 0 HBADRO COC(=O)[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C(=O)OC ZINC001198648606 1071766052 /nfs/dbraw/zinc/76/60/52/1071766052.db2.gz CGJRFIAWJDVJDT-BETUJISGSA-N 1 0 424.454 -0.444 20 0 HBADRO COC(=O)[C@@H]1C[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C(=O)OC ZINC001198648608 1071765993 /nfs/dbraw/zinc/76/59/93/1071765993.db2.gz CGJRFIAWJDVJDT-CHWSQXEVSA-N 1 0 424.454 -0.444 20 0 HBADRO COC(=O)[C@H]1C[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C(=O)OC ZINC001198648610 1071766094 /nfs/dbraw/zinc/76/60/94/1071766094.db2.gz CGJRFIAWJDVJDT-STQMWFEESA-N 1 0 424.454 -0.444 20 0 HBADRO CN(CCCNC(=O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1)S(C)(=O)=O ZINC001198649767 1071766113 /nfs/dbraw/zinc/76/61/13/1071766113.db2.gz XYTLPVUOKWVXOR-UHFFFAOYSA-N 1 0 418.560 -0.465 20 0 HBADRO COCCn1c(=O)cccc1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001198685369 1071766653 /nfs/dbraw/zinc/76/66/53/1071766653.db2.gz YPPRYUHNSJJWAZ-UHFFFAOYSA-N 1 0 401.467 -0.200 20 0 HBADRO COCCn1c(=O)cccc1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001198688000 1071766543 /nfs/dbraw/zinc/76/65/43/1071766543.db2.gz BNVLSVLXLBNEGN-UHFFFAOYSA-N 1 0 417.466 -0.027 20 0 HBADRO COCCn1c(=O)cccc1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001198690537 1071766040 /nfs/dbraw/zinc/76/60/40/1071766040.db2.gz WKFIEMHBGBALAI-UHFFFAOYSA-N 1 0 410.452 -0.270 20 0 HBADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H](CCO)[C@H](CO)C2)C1=O ZINC001198750943 1071767212 /nfs/dbraw/zinc/76/72/12/1071767212.db2.gz AWBVSRHTHCNBGY-AUSJPIAWSA-N 1 0 404.467 -0.202 20 0 HBADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)C1=O ZINC001198750944 1071767242 /nfs/dbraw/zinc/76/72/42/1071767242.db2.gz AWBVSRHTHCNBGY-BXTJHSDWSA-N 1 0 404.467 -0.202 20 0 HBADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)C1=O ZINC001198750945 1071767322 /nfs/dbraw/zinc/76/73/22/1071767322.db2.gz AWBVSRHTHCNBGY-QEEYODRMSA-N 1 0 404.467 -0.202 20 0 HBADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H](CO)[C@H](CCO)C2)C1=O ZINC001198750946 1071767266 /nfs/dbraw/zinc/76/72/66/1071767266.db2.gz AWBVSRHTHCNBGY-STXHMFSFSA-N 1 0 404.467 -0.202 20 0 HBADRO COCCn1cc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)ccc1=O ZINC001198822538 1071768414 /nfs/dbraw/zinc/76/84/14/1071768414.db2.gz KVRGZGSLXNBLPZ-UHFFFAOYSA-N 1 0 401.467 -0.200 20 0 HBADRO COCCn1cc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)ccc1=O ZINC001198829287 1071767853 /nfs/dbraw/zinc/76/78/53/1071767853.db2.gz PPQRBGRIWDZPNM-UHFFFAOYSA-N 1 0 410.452 -0.270 20 0 HBADRO COCCn1cc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1=O ZINC001198829813 1071767841 /nfs/dbraw/zinc/76/78/41/1071767841.db2.gz UJSHCRFGPNLUEM-UHFFFAOYSA-N 1 0 417.466 -0.027 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC001198922739 1071770023 /nfs/dbraw/zinc/77/00/23/1071770023.db2.gz FSPBADSARRGBSY-INIZCTEOSA-N 1 0 411.528 -0.189 20 0 HBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC001198922740 1071769983 /nfs/dbraw/zinc/76/99/83/1071769983.db2.gz FSPBADSARRGBSY-MRXNPFEDSA-N 1 0 411.528 -0.189 20 0 HBADRO COCCOc1cnc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)cn1 ZINC001199125476 1071771771 /nfs/dbraw/zinc/77/17/71/1071771771.db2.gz HODZFJABGBTLOH-UHFFFAOYSA-N 1 0 411.440 -0.263 20 0 HBADRO COCCOc1cnc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cn1 ZINC001199126011 1071771568 /nfs/dbraw/zinc/77/15/68/1071771568.db2.gz PSMOWRBOSJJGLH-UHFFFAOYSA-N 1 0 402.455 -0.193 20 0 HBADRO COCCOc1cnc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cn1 ZINC001199126505 1071772299 /nfs/dbraw/zinc/77/22/99/1071772299.db2.gz QOVWCYLVARQNOL-UHFFFAOYSA-N 1 0 418.454 -0.020 20 0 HBADRO COCCOc1ccnc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)n1 ZINC001199190173 1071773384 /nfs/dbraw/zinc/77/33/84/1071773384.db2.gz YCNBYSGCBLIAJI-UHFFFAOYSA-N 1 0 402.455 -0.193 20 0 HBADRO COCCOc1ccnc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)n1 ZINC001199191350 1071772951 /nfs/dbraw/zinc/77/29/51/1071772951.db2.gz DJKCXLOKMICOIS-UHFFFAOYSA-N 1 0 411.440 -0.263 20 0 HBADRO COCCOc1ccnc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001199193781 1071773494 /nfs/dbraw/zinc/77/34/94/1071773494.db2.gz WZTFQZIAMIOZAD-UHFFFAOYSA-N 1 0 418.454 -0.020 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(O)c(=O)[nH]2)c2nonc21 ZINC001199201705 1071774023 /nfs/dbraw/zinc/77/40/23/1071774023.db2.gz VDDYNIBJZHJTMA-UHFFFAOYSA-N 1 0 422.423 -0.115 20 0 HBADRO COCCOc1ncc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)cn1 ZINC001199250524 1071774947 /nfs/dbraw/zinc/77/49/47/1071774947.db2.gz LGPVQZKMFOYEHE-UHFFFAOYSA-N 1 0 411.440 -0.263 20 0 HBADRO COCCOc1ncc(C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cn1 ZINC001199251103 1071774927 /nfs/dbraw/zinc/77/49/27/1071774927.db2.gz TWTVFNSGJUUBPG-UHFFFAOYSA-N 1 0 418.454 -0.020 20 0 HBADRO COCCOc1ncc(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cn1 ZINC001199251456 1071774693 /nfs/dbraw/zinc/77/46/93/1071774693.db2.gz XHPDEGQWRDFASE-UHFFFAOYSA-N 1 0 402.455 -0.193 20 0 HBADRO COc1nccc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n1 ZINC001199324523 1071776503 /nfs/dbraw/zinc/77/65/03/1071776503.db2.gz GRJRYQUUEZECSL-UHFFFAOYSA-N 1 0 421.439 -0.123 20 0 HBADRO COCCn1ccnc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001199406646 1071777683 /nfs/dbraw/zinc/77/76/83/1071777683.db2.gz ZHSWLOKYPJSTNF-UHFFFAOYSA-N 1 0 406.531 -0.160 20 0 HBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cn(-c2ncccn2)cn1 ZINC001199552797 1071778400 /nfs/dbraw/zinc/77/84/00/1071778400.db2.gz LCHKHEZKLQQJOA-UHFFFAOYSA-N 1 0 403.424 -0.102 20 0 HBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cc(CCO)ccn1)CC2 ZINC001199758139 1071780995 /nfs/dbraw/zinc/78/09/95/1071780995.db2.gz FQVGZZOFNGJGDD-UHFFFAOYSA-N 1 0 403.527 -0.073 20 0 HBADRO CCOC(=O)[C@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001199822405 1071782077 /nfs/dbraw/zinc/78/20/77/1071782077.db2.gz FFBZNCJJJYTNBG-HNNXBMFYSA-N 1 0 413.588 -0.017 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001199822411 1071782102 /nfs/dbraw/zinc/78/21/02/1071782102.db2.gz FFBZNCJJJYTNBG-OAHLLOKOSA-N 1 0 413.588 -0.017 20 0 HBADRO CCOC(=O)[C@@H](C)NC(=S)N1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001199823866 1071782608 /nfs/dbraw/zinc/78/26/08/1071782608.db2.gz LSZKWFRSANVZFP-RBSFLKMASA-N 1 0 400.545 -0.077 20 0 HBADRO CCOC(=O)[C@H](C)NC(=S)N1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001199823868 1071782721 /nfs/dbraw/zinc/78/27/21/1071782721.db2.gz LSZKWFRSANVZFP-RRFJBIMHSA-N 1 0 400.545 -0.077 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC001199830856 1071782121 /nfs/dbraw/zinc/78/21/21/1071782121.db2.gz ZPZUCLRKOPPNIA-CYBMUJFWSA-N 1 0 404.471 -0.125 20 0 HBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC001199830857 1071782176 /nfs/dbraw/zinc/78/21/76/1071782176.db2.gz ZPZUCLRKOPPNIA-ZDUSSCGKSA-N 1 0 404.471 -0.125 20 0 HBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=S)NCCCN1CCOCC1)CC2 ZINC001199943686 1071783293 /nfs/dbraw/zinc/78/32/93/1071783293.db2.gz MOEATIIDEYHFBJ-UHFFFAOYSA-N 1 0 424.571 -0.079 20 0 HBADRO CN(CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCO1)S(C)(=O)=O ZINC001201023767 1071789690 /nfs/dbraw/zinc/78/96/90/1071789690.db2.gz RJOAWJAOSALMHM-JHMPBIJASA-N 1 0 401.529 -0.492 20 0 HBADRO CN(CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCO1)S(C)(=O)=O ZINC001201023795 1071789448 /nfs/dbraw/zinc/78/94/48/1071789448.db2.gz RJOAWJAOSALMHM-NEXGVSGLSA-N 1 0 401.529 -0.492 20 0 HBADRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCO1 ZINC001201032464 1071789593 /nfs/dbraw/zinc/78/95/93/1071789593.db2.gz HJDFLXKIAUXBRC-JHMPBIJASA-N 1 0 401.529 -0.444 20 0 HBADRO CCS(=O)(=O)NCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCO1 ZINC001201032469 1071789662 /nfs/dbraw/zinc/78/96/62/1071789662.db2.gz HJDFLXKIAUXBRC-NEXGVSGLSA-N 1 0 401.529 -0.444 20 0 HBADRO CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)NCCC[NH+](CCO)CCO ZINC001201444408 1071792522 /nfs/dbraw/zinc/79/25/22/1071792522.db2.gz ICBZYTQXBLUMSE-UHFFFAOYSA-N 1 0 418.516 -0.208 20 0 HBADRO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCC[NH+](CCO)CCO ZINC001201551229 1071792863 /nfs/dbraw/zinc/79/28/63/1071792863.db2.gz QKLOHAGTMMPXCA-UHFFFAOYSA-N 1 0 404.485 -0.173 20 0 HBADRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)NCC(=O)N1CCCC1 ZINC001201713055 1071793369 /nfs/dbraw/zinc/79/33/69/1071793369.db2.gz WANSABYHSZQSSD-SUFIHLRJSA-N 1 0 404.511 -0.271 20 0 HBADRO COC(=O)CCCS(=O)(=O)N1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201909315 1071797236 /nfs/dbraw/zinc/79/72/36/1071797236.db2.gz RUYDRMIFCGUQQQ-INIZCTEOSA-N 1 0 413.544 -0.155 20 0 HBADRO COC(=O)CCCS(=O)(=O)N1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201909316 1071797152 /nfs/dbraw/zinc/79/71/52/1071797152.db2.gz RUYDRMIFCGUQQQ-MRXNPFEDSA-N 1 0 413.544 -0.155 20 0 HBADRO COC(=O)CCCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001201909339 1071797210 /nfs/dbraw/zinc/79/72/10/1071797210.db2.gz PCDXQQCGIFLBDM-UHFFFAOYSA-N 1 0 418.560 -0.560 20 0 HBADRO COC(=O)CCCS(=O)(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201909831 1071797010 /nfs/dbraw/zinc/79/70/10/1071797010.db2.gz UYCDORBQRSJCJJ-UHFFFAOYSA-N 1 0 402.473 -0.393 20 0 HBADRO COC(=O)CCCS(=O)(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001201922510 1071797850 /nfs/dbraw/zinc/79/78/50/1071797850.db2.gz LIIXTBPNLMSPRO-UHFFFAOYSA-N 1 0 405.498 -0.311 20 0 HBADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@H]3CCOC3)CC[C@@H]12 ZINC001202488969 1071822707 /nfs/dbraw/zinc/82/27/07/1071822707.db2.gz VARFIZFEXKPYOC-LMMKCTJWSA-N 1 0 415.556 -0.002 20 0 HBADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@H]3CCOC3)CC[C@@H]12 ZINC001202488983 1071822571 /nfs/dbraw/zinc/82/25/71/1071822571.db2.gz VARFIZFEXKPYOC-SCTDSRPQSA-N 1 0 415.556 -0.002 20 0 HBADRO CC(C)(C)OC(=O)N1CC(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)(C(N)=O)C1 ZINC001211509591 1068466008 /nfs/dbraw/zinc/46/60/08/1068466008.db2.gz BDSZMKJVJGJEAX-INIZCTEOSA-N 1 0 402.517 -0.134 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001211661062 1069196616 /nfs/dbraw/zinc/19/66/16/1069196616.db2.gz ALABAQJXVFTIKJ-UHFFFAOYSA-N 1 0 413.422 -0.160 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CC2(CCC2)CO1 ZINC001211661209 1069197243 /nfs/dbraw/zinc/19/72/43/1069197243.db2.gz FDXWPHDDPCERBD-INIZCTEOSA-N 1 0 403.545 -0.002 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001211661210 1069197251 /nfs/dbraw/zinc/19/72/51/1069197251.db2.gz FDXWPHDDPCERBD-MRXNPFEDSA-N 1 0 403.545 -0.002 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1nc[nH]c1Br ZINC001211661773 1069198804 /nfs/dbraw/zinc/19/88/04/1069198804.db2.gz OYYCISQJGHCOJR-UHFFFAOYSA-N 1 0 424.321 -0.417 20 0 HBADRO CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC001211854720 1070401759 /nfs/dbraw/zinc/40/17/59/1070401759.db2.gz OYDAEZKGKNARDB-UHFFFAOYSA-N 1 0 416.591 -0.608 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001211899536 1071308616 /nfs/dbraw/zinc/30/86/16/1071308616.db2.gz GQOAEERWLCBNFY-HNNXBMFYSA-N 1 0 405.542 -0.269 20 0 HBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001211899537 1071308734 /nfs/dbraw/zinc/30/87/34/1071308734.db2.gz GQOAEERWLCBNFY-OAHLLOKOSA-N 1 0 405.542 -0.269 20 0 HBADRO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c1 ZINC001211929722 1069217078 /nfs/dbraw/zinc/21/70/78/1069217078.db2.gz MMSSDGUFTBOQQD-UHFFFAOYSA-N 1 0 418.585 -0.006 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC001211941667 1069221562 /nfs/dbraw/zinc/22/15/62/1069221562.db2.gz WBOBOGXIDHKTGI-HXUWFJFHSA-N 1 0 410.584 -0.038 20 0 HBADRO [NH3+]CC(=O)N[C@@H](CO)c1nc(-c2nccc(I)c2F)no1 ZINC001211958669 1069223929 /nfs/dbraw/zinc/22/39/29/1069223929.db2.gz CKQXWLZKJIKXRA-LURJTMIESA-N 1 0 407.143 -0.016 20 0 HBADRO COCCOc1ccc(-c2noc([C@H](CO)NC(=O)C[NH3+])n2)cc1OCCOC ZINC001211958742 1069223862 /nfs/dbraw/zinc/22/38/62/1069223862.db2.gz HMIHQNLKRWYTLJ-ZDUSSCGKSA-N 1 0 410.427 -0.105 20 0 HBADRO COc1nccc(-c2noc([C@H](CO)NC(=O)C[NH3+])n2)c1I ZINC001211959020 1069223949 /nfs/dbraw/zinc/22/39/49/1069223949.db2.gz VHAIVEZFOLXQBU-ZETCQYMHSA-N 1 0 419.179 -0.147 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCc1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001211959051 1069223790 /nfs/dbraw/zinc/22/37/90/1069223790.db2.gz WZIWDCFNJUFRFN-INIZCTEOSA-N 1 0 402.455 -0.398 20 0 HBADRO COc1ncc(I)cc1-c1noc([C@H](CO)NC(=O)C[NH3+])n1 ZINC001211959060 1069223584 /nfs/dbraw/zinc/22/35/84/1069223584.db2.gz XKWXBPMUYXONEZ-QMMMGPOBSA-N 1 0 419.179 -0.147 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001211961328 1069224543 /nfs/dbraw/zinc/22/45/43/1069224543.db2.gz GFHQFIXIPWKKAK-KRWDZBQOSA-N 1 0 416.482 -0.403 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCc1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001211961350 1069224292 /nfs/dbraw/zinc/22/42/92/1069224292.db2.gz HOBXAHVDHZPDCK-INIZCTEOSA-N 1 0 402.455 -0.398 20 0 HBADRO CC(=O)N[C@@H](CO)C(=O)NCc1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001211961402 1069224493 /nfs/dbraw/zinc/22/44/93/1069224493.db2.gz KLFDKXQSIRSISE-HNNXBMFYSA-N 1 0 402.455 -0.398 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2cccc(N3CCOCC3)c2)no1)C(N)=O ZINC001211998050 1069301763 /nfs/dbraw/zinc/30/17/63/1069301763.db2.gz AXNXBEUBBWLGNF-SWLSCSKDSA-N 1 0 402.455 -0.177 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccccc2N2CCOCC2)no1)C(N)=O ZINC001211998108 1069301625 /nfs/dbraw/zinc/30/16/25/1069301625.db2.gz CDWDBUZJXHMHOR-GXTWGEPZSA-N 1 0 402.455 -0.177 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(OC3COC3)c(F)c2)no1)C(N)=O ZINC001211998132 1069301927 /nfs/dbraw/zinc/30/19/27/1069301927.db2.gz DPCRNGOZAXRRES-TVQRCGJNSA-N 1 0 407.402 -0.097 20 0 HBADRO COc1cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)n2)ccc1OC1COC1 ZINC001211998168 1069301694 /nfs/dbraw/zinc/30/16/94/1069301694.db2.gz FZOSBUSQLKIYEZ-GXFFZTMASA-N 1 0 419.438 -0.227 20 0 HBADRO CON(C)C(=O)c1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)n2)cc1 ZINC001211998174 1069301848 /nfs/dbraw/zinc/30/18/48/1069301848.db2.gz GLLWHQUJNKTZFQ-GXFFZTMASA-N 1 0 404.427 -0.380 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(CN3CCOCC3)cc2)no1)C(N)=O ZINC001211998182 1069301665 /nfs/dbraw/zinc/30/16/65/1069301665.db2.gz GUULNHVAABWXRM-XJKSGUPXSA-N 1 0 416.482 -0.181 20 0 HBADRO CON(C)C(=O)c1cccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)n2)c1 ZINC001211998211 1069301812 /nfs/dbraw/zinc/30/18/12/1069301812.db2.gz IJGHWJJTRNMSLV-GXFFZTMASA-N 1 0 404.427 -0.380 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(N3CCOCC3)cc2)no1)C(N)=O ZINC001211998646 1069301593 /nfs/dbraw/zinc/30/15/93/1069301593.db2.gz VAVMENPILPVBHP-SWLSCSKDSA-N 1 0 402.455 -0.177 20 0 HBADRO COc1cc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n2)ccc1OC1COC1 ZINC001212020656 1069303263 /nfs/dbraw/zinc/30/32/63/1069303263.db2.gz SENUXSYRGSBCRH-CABZTGNLSA-N 1 0 405.411 -0.097 20 0 HBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC001212022908 1069304037 /nfs/dbraw/zinc/30/40/37/1069304037.db2.gz INYPKQCAJFALRZ-WFASDCNBSA-N 1 0 402.455 -0.051 20 0 HBADRO NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212029153 1069303904 /nfs/dbraw/zinc/30/39/04/1069303904.db2.gz BFGIWXZFMVDSSM-KBPBESRZSA-N 1 0 413.438 -0.521 20 0 HBADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001212099775 1069309588 /nfs/dbraw/zinc/30/95/88/1069309588.db2.gz YTEXPBHNFNZOMK-AWEZNQCLSA-N 1 0 403.526 -0.063 20 0 HBADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001212099776 1069309490 /nfs/dbraw/zinc/30/94/90/1069309490.db2.gz YTEXPBHNFNZOMK-CQSZACIVSA-N 1 0 403.526 -0.063 20 0 HBADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001212113477 1069427928 /nfs/dbraw/zinc/42/79/28/1069427928.db2.gz GTJOCIOUQSAPRK-UHFFFAOYSA-N 1 0 410.587 -0.066 20 0 HBADRO C[NH+]1CCC(CNS(=O)(=O)C2CCS(=O)(=O)CC2)(N2CCOCC2)CC1 ZINC001212158119 1070776613 /nfs/dbraw/zinc/77/66/13/1070776613.db2.gz KPQGXTJPPYATJP-UHFFFAOYSA-N 1 0 409.574 -0.720 20 0 HBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001212278520 1072099198 /nfs/dbraw/zinc/09/91/98/1072099198.db2.gz POLKUZIYUORDLR-JTQLQIEISA-N 1 0 409.452 -0.307 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001212278521 1072099062 /nfs/dbraw/zinc/09/90/62/1072099062.db2.gz POLKUZIYUORDLR-SNVBAGLBSA-N 1 0 409.452 -0.307 20 0 HBADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC001212307400 1072119835 /nfs/dbraw/zinc/11/98/35/1072119835.db2.gz YENRQPKMMVHPJK-UHFFFAOYSA-N 1 0 413.544 -0.735 20 0 HBADRO C[NH+](C)CCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1=O ZINC001212373851 1069096480 /nfs/dbraw/zinc/09/64/80/1069096480.db2.gz HKWHEOIZVCRMEZ-AWEZNQCLSA-N 1 0 404.533 -0.257 20 0 HBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001212373962 1069096619 /nfs/dbraw/zinc/09/66/19/1069096619.db2.gz KEBHVEJETQUEAE-UHFFFAOYSA-N 1 0 419.525 -0.507 20 0 HBADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1=O ZINC001212374262 1069097164 /nfs/dbraw/zinc/09/71/64/1069097164.db2.gz UABMIFHTJDWSJR-UHFFFAOYSA-N 1 0 403.526 -0.374 20 0 HBADRO COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC001212374392 1069097118 /nfs/dbraw/zinc/09/71/18/1069097118.db2.gz YJLISUWTTAFODJ-UHFFFAOYSA-N 1 0 412.512 -0.543 20 0 HBADRO CN(CCN(C)C(=O)N1CCS(=O)(=O)CC1)CCN1C(=O)c2ccccc2C1=O ZINC001212450106 1069230042 /nfs/dbraw/zinc/23/00/42/1069230042.db2.gz JHPJQYBHYFXWBQ-UHFFFAOYSA-N 1 0 422.507 -0.003 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212453407 1069231531 /nfs/dbraw/zinc/23/15/31/1069231531.db2.gz IYWRJIPWVMCMOZ-BBWFWOEESA-N 1 0 404.577 -0.186 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212453408 1069231739 /nfs/dbraw/zinc/23/17/39/1069231739.db2.gz IYWRJIPWVMCMOZ-IKGGRYGDSA-N 1 0 404.577 -0.186 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212453409 1069232115 /nfs/dbraw/zinc/23/21/15/1069232115.db2.gz IYWRJIPWVMCMOZ-ULQDDVLXSA-N 1 0 404.577 -0.186 20 0 HBADRO CC(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212453410 1069232126 /nfs/dbraw/zinc/23/21/26/1069232126.db2.gz IYWRJIPWVMCMOZ-ZACQAIPSSA-N 1 0 404.577 -0.186 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001212460082 1069242579 /nfs/dbraw/zinc/24/25/79/1069242579.db2.gz MSQRGFVPIWCHHT-UHFFFAOYSA-N 1 0 402.565 -0.298 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001212461305 1069245143 /nfs/dbraw/zinc/24/51/43/1069245143.db2.gz VSOZAPBWIXXPTL-KRWDZBQOSA-N 1 0 419.569 -0.046 20 0 HBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001212461308 1069245095 /nfs/dbraw/zinc/24/50/95/1069245095.db2.gz VSOZAPBWIXXPTL-QGZVFWFLSA-N 1 0 419.569 -0.046 20 0 HBADRO C[NH+](C)CCOc1cccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001212805089 1071904955 /nfs/dbraw/zinc/90/49/55/1071904955.db2.gz MIQSARSCXHXXDB-NVQRDWNXSA-N 1 0 421.454 -0.723 20 0 HBADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N1CCCC1 ZINC001267961483 1069151704 /nfs/dbraw/zinc/15/17/04/1069151704.db2.gz BOJBUUKBSFBFHY-UWGWQUPMSA-N 1 0 404.511 -0.271 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267961593 1069151653 /nfs/dbraw/zinc/15/16/53/1069151653.db2.gz GYHMFJPJYIMPJS-PITCONLNSA-N 1 0 404.511 -0.286 20 0 HBADRO CC(=O)N1CCC(NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268568839 1069458287 /nfs/dbraw/zinc/45/82/87/1069458287.db2.gz ACASLXHBCKBBLQ-CLUIWUISSA-N 1 0 404.511 -0.201 20 0 HBADRO CC(=O)N1CCC(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268568842 1069458120 /nfs/dbraw/zinc/45/81/20/1069458120.db2.gz ACASLXHBCKBBLQ-YSZWMDPWSA-N 1 0 404.511 -0.201 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268570458 1069461090 /nfs/dbraw/zinc/46/10/90/1069461090.db2.gz RSWYDYICZOEKNT-MSSIXQIISA-N 1 0 404.511 -0.344 20 0 HBADRO CNC(=O)C1CCN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268570461 1069460951 /nfs/dbraw/zinc/46/09/51/1069460951.db2.gz RSWYDYICZOEKNT-VOLKWQCKSA-N 1 0 404.511 -0.344 20 0 HBADRO C[C@H](C[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268654567 1069528666 /nfs/dbraw/zinc/52/86/66/1069528666.db2.gz BSNYWICJERHNNA-PVHWUHCKSA-N 1 0 404.511 -0.415 20 0 HBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269455048 1069697014 /nfs/dbraw/zinc/69/70/14/1069697014.db2.gz CUVBGJNDTQWSBI-FWCYYJLNSA-N 1 0 404.511 -0.225 20 0 HBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269455052 1069696781 /nfs/dbraw/zinc/69/67/81/1069696781.db2.gz CUVBGJNDTQWSBI-PITCONLNSA-N 1 0 404.511 -0.225 20 0 HBADRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC001269455185 1069696531 /nfs/dbraw/zinc/69/65/31/1069696531.db2.gz FNAINKOIXZKMKI-JOWCLZMLSA-N 1 0 404.511 -0.239 20 0 HBADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)N1CCC(C(N)=O)CC1 ZINC001269455192 1069696722 /nfs/dbraw/zinc/69/67/22/1069696722.db2.gz FNAINKOIXZKMKI-KFTDAMQQSA-N 1 0 404.511 -0.239 20 0 HBADRO O=C(C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001269752446 1069763924 /nfs/dbraw/zinc/76/39/24/1069763924.db2.gz YNBVISPWAHBTQA-UWGWQUPMSA-N 1 0 404.511 -0.414 20 0 HBADRO O=C(C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001269752447 1069763816 /nfs/dbraw/zinc/76/38/16/1069763816.db2.gz YNBVISPWAHBTQA-YYXZMQKJSA-N 1 0 404.511 -0.414 20 0 HBADRO CCOC(=O)N1CSC[C@H]1C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001270449893 1070232316 /nfs/dbraw/zinc/23/23/16/1070232316.db2.gz KUDIZGUPLYQEOU-AWEZNQCLSA-N 1 0 402.517 -0.233 20 0 HBADRO CCOC(=O)N1CSC[C@@H]1C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001270449895 1070232023 /nfs/dbraw/zinc/23/20/23/1070232023.db2.gz KUDIZGUPLYQEOU-CQSZACIVSA-N 1 0 402.517 -0.233 20 0 HBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCNC(=O)c1cccnc1 ZINC001270450111 1070232331 /nfs/dbraw/zinc/23/23/31/1070232331.db2.gz MRRIJLIVYGNQCK-UHFFFAOYSA-N 1 0 405.499 -0.159 20 0 HBADRO COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001270451003 1070235383 /nfs/dbraw/zinc/23/53/83/1070235383.db2.gz ROHALVGDLCNQSQ-HNNXBMFYSA-N 1 0 416.519 -0.225 20 0 HBADRO CC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001270892072 1070701909 /nfs/dbraw/zinc/70/19/09/1070701909.db2.gz BBCRHIFXQDTRPZ-LCEIHVTHSA-N 1 0 404.511 -0.414 20 0 HBADRO O=C(C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001271558672 1071291167 /nfs/dbraw/zinc/29/11/67/1071291167.db2.gz QPNYQIQDCPGRNX-UWGWQUPMSA-N 1 0 404.511 -0.271 20 0 HBADRO O=C(C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001271558673 1071291048 /nfs/dbraw/zinc/29/10/48/1071291048.db2.gz QPNYQIQDCPGRNX-YYXZMQKJSA-N 1 0 404.511 -0.271 20 0 HBADRO NC(=O)C1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC2)CC1 ZINC001273121158 1069422337 /nfs/dbraw/zinc/42/23/37/1069422337.db2.gz CQFJXTYHUVIXIV-OCABDXPQSA-N 1 0 404.511 -0.238 20 0 HBADRO CC(=O)N1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC2)CC1 ZINC001273121423 1069421887 /nfs/dbraw/zinc/42/18/87/1069421887.db2.gz FMOQRJHMHISTPH-BCDMZGRMSA-N 1 0 404.511 -0.271 20 0 HBADRO CN(CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)S(C)(=O)=O ZINC001273893858 1071791893 /nfs/dbraw/zinc/79/18/93/1071791893.db2.gz KBBYRHLNRZHPLU-CAUAQDCSSA-N 1 0 401.529 -0.756 20 0 HBADRO CN(CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)S(C)(=O)=O ZINC001273893859 1071791925 /nfs/dbraw/zinc/79/19/25/1071791925.db2.gz KBBYRHLNRZHPLU-ZHHZMWCQSA-N 1 0 401.529 -0.756 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC001274849723 1071915216 /nfs/dbraw/zinc/91/52/16/1071915216.db2.gz SVBWXSMBNZTONO-BVWOBERRSA-N 1 0 404.471 -0.915 20 0 HBADRO C[C@@H](C[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001275240659 1071919052 /nfs/dbraw/zinc/91/90/52/1071919052.db2.gz BSNYWICJERHNNA-QZFZTSDASA-N 1 0 404.511 -0.415 20 0 HBADRO COC(=O)[C@H]1CCCN(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC001275942349 1071922606 /nfs/dbraw/zinc/92/26/06/1071922606.db2.gz DKEJTACRWYDUCC-INIZCTEOSA-N 1 0 410.515 -0.689 20 0 HBADRO COC(=O)[C@@H]1CCCN(CC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC001275942350 1071922578 /nfs/dbraw/zinc/92/25/78/1071922578.db2.gz DKEJTACRWYDUCC-MRXNPFEDSA-N 1 0 410.515 -0.689 20 0 HBADRO C[NH+]1CCC(CNC(=O)CC2CCN(S(C)(=O)=O)CC2)(N2CCOCC2)CC1 ZINC001275942495 1071922461 /nfs/dbraw/zinc/92/24/61/1071922461.db2.gz GDRAZGDWDVFCOM-UHFFFAOYSA-N 1 0 416.588 -0.039 20 0 HBADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001275942898 1071922534 /nfs/dbraw/zinc/92/25/34/1071922534.db2.gz NHRJMHXFWUMNCW-UHFFFAOYSA-N 1 0 402.499 -0.214 20 0 HBADRO C[NH+]1CCC(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)(N2CCOCC2)CC1 ZINC001275943720 1071922348 /nfs/dbraw/zinc/92/23/48/1071922348.db2.gz XKGKUCVAUSGOGJ-UHFFFAOYSA-N 1 0 407.515 -0.236 20 0 HBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cn3ncn4nccc4c3=O)cc2)CC1 ZINC001276020356 1071923685 /nfs/dbraw/zinc/92/36/85/1071923685.db2.gz HIIRMNPAZJBELX-UHFFFAOYSA-N 1 0 423.477 -0.095 20 0 HBADRO CN1C(=O)CN(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1=O ZINC001276020499 1071923764 /nfs/dbraw/zinc/92/37/64/1071923764.db2.gz MTOBODBZBFZWRH-UHFFFAOYSA-N 1 0 401.467 -0.106 20 0 HBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001299158955 1068580082 /nfs/dbraw/zinc/58/00/82/1068580082.db2.gz OMHZLZYYOWNKFD-JONQDZQNSA-N 1 0 410.519 -0.097 20 0 HBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001299158960 1068580095 /nfs/dbraw/zinc/58/00/95/1068580095.db2.gz OMHZLZYYOWNKFD-QXSJWSMHSA-N 1 0 410.519 -0.097 20 0 HBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001299158963 1068580207 /nfs/dbraw/zinc/58/02/07/1068580207.db2.gz OMHZLZYYOWNKFD-UGUYLWEFSA-N 1 0 410.519 -0.097 20 0 HBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001299158966 1068580260 /nfs/dbraw/zinc/58/02/60/1068580260.db2.gz OMHZLZYYOWNKFD-VGWMRTNUSA-N 1 0 410.519 -0.097 20 0 HBADRO Cc1c(C(=O)N2CCN(CC(N)=O)C(=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001299185889 1069183735 /nfs/dbraw/zinc/18/37/35/1069183735.db2.gz JBYGWHLXKLBCPE-UHFFFAOYSA-N 1 0 411.466 -0.667 20 0 HBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001299197586 1069214675 /nfs/dbraw/zinc/21/46/75/1069214675.db2.gz AGANNGCXHKCBHC-UHFFFAOYSA-N 1 0 410.544 -0.166 20 0 HBADRO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299198747 1069215731 /nfs/dbraw/zinc/21/57/31/1069215731.db2.gz HVOGFADMGNOVRF-IBGZPJMESA-N 1 0 416.486 -0.436 20 0 HBADRO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299198751 1069215650 /nfs/dbraw/zinc/21/56/50/1069215650.db2.gz HVOGFADMGNOVRF-LJQANCHMSA-N 1 0 416.486 -0.436 20 0 HBADRO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299213420 1070915673 /nfs/dbraw/zinc/91/56/73/1070915673.db2.gz CXLYEUWAMBFYIW-IBGZPJMESA-N 1 0 419.486 -0.355 20 0 HBADRO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299213426 1070915422 /nfs/dbraw/zinc/91/54/22/1070915422.db2.gz CXLYEUWAMBFYIW-LJQANCHMSA-N 1 0 419.486 -0.355 20 0 HBADRO CNC(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299214280 1070967828 /nfs/dbraw/zinc/96/78/28/1070967828.db2.gz JWGHLSLQFOFLTK-HNNXBMFYSA-N 1 0 420.562 -0.173 20 0 HBADRO CNC(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299214281 1070967913 /nfs/dbraw/zinc/96/79/13/1070967913.db2.gz JWGHLSLQFOFLTK-OAHLLOKOSA-N 1 0 420.562 -0.173 20 0 HBADRO CNC(=O)CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299224837 1071897808 /nfs/dbraw/zinc/89/78/08/1071897808.db2.gz QXISSYZESLUGCM-IBGZPJMESA-N 1 0 404.519 -0.221 20 0 HBADRO CNC(=O)CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299224845 1071897918 /nfs/dbraw/zinc/89/79/18/1071897918.db2.gz QXISSYZESLUGCM-LJQANCHMSA-N 1 0 404.519 -0.221 20 0 HBADRO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(O)CC1 ZINC001299225096 1071970112 /nfs/dbraw/zinc/97/01/12/1071970112.db2.gz ZVRFTRQLRBYCBP-UHFFFAOYSA-N 1 0 421.546 -0.180 20 0 HBADRO CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001299242801 1068967969 /nfs/dbraw/zinc/96/79/69/1068967969.db2.gz NONVCDPTHDFWLU-HNNXBMFYSA-N 1 0 402.503 -0.027 20 0 HBADRO CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001299242802 1068967913 /nfs/dbraw/zinc/96/79/13/1068967913.db2.gz NONVCDPTHDFWLU-OAHLLOKOSA-N 1 0 402.503 -0.027 20 0 HBADRO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001299243996 1068968508 /nfs/dbraw/zinc/96/85/08/1068968508.db2.gz VRPBVKCCIDZEEH-HNNXBMFYSA-N 1 0 405.503 -0.334 20 0 HBADRO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001299243997 1068968693 /nfs/dbraw/zinc/96/86/93/1068968693.db2.gz VRPBVKCCIDZEEH-OAHLLOKOSA-N 1 0 405.503 -0.334 20 0 HBADRO CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299251014 1068971105 /nfs/dbraw/zinc/97/11/05/1068971105.db2.gz KCFNFUXLXLIIAS-INIZCTEOSA-N 1 0 419.530 -0.338 20 0 HBADRO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299251016 1068970929 /nfs/dbraw/zinc/97/09/29/1068970929.db2.gz KCFNFUXLXLIIAS-MRXNPFEDSA-N 1 0 419.530 -0.338 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1=O ZINC001299264496 1068974000 /nfs/dbraw/zinc/97/40/00/1068974000.db2.gz DDRZEURMUJMQPJ-KBPBESRZSA-N 1 0 417.528 -0.636 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1=O ZINC001299264498 1068974053 /nfs/dbraw/zinc/97/40/53/1068974053.db2.gz DDRZEURMUJMQPJ-KGLIPLIRSA-N 1 0 417.528 -0.636 20 0 HBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1=O ZINC001299264500 1068973868 /nfs/dbraw/zinc/97/38/68/1068973868.db2.gz DDRZEURMUJMQPJ-UONOGXRCSA-N 1 0 417.528 -0.636 20 0 HBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1=O ZINC001299264502 1068974028 /nfs/dbraw/zinc/97/40/28/1068974028.db2.gz DDRZEURMUJMQPJ-ZIAGYGMSSA-N 1 0 417.528 -0.636 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001299267262 1069015617 /nfs/dbraw/zinc/01/56/17/1069015617.db2.gz ZCSNJBJBUBTUME-HNNXBMFYSA-N 1 0 403.545 -0.019 20 0 HBADRO CC[NH+]1CCN(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001299267263 1069015943 /nfs/dbraw/zinc/01/59/43/1069015943.db2.gz ZCSNJBJBUBTUME-OAHLLOKOSA-N 1 0 403.545 -0.019 20 0 HBADRO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)CCOC)CC1 ZINC001299270522 1069187214 /nfs/dbraw/zinc/18/72/14/1069187214.db2.gz UZWACLINHYUIKJ-UHFFFAOYSA-N 1 0 422.534 -0.446 20 0 HBADRO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001299271096 1069207789 /nfs/dbraw/zinc/20/77/89/1069207789.db2.gz ZXDACLIQRBYBQL-IBGZPJMESA-N 1 0 420.518 -0.958 20 0 HBADRO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001299271101 1069207864 /nfs/dbraw/zinc/20/78/64/1069207864.db2.gz ZXDACLIQRBYBQL-LJQANCHMSA-N 1 0 420.518 -0.958 20 0 HBADRO CNC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)CCOC)CC1 ZINC001299277700 1069380108 /nfs/dbraw/zinc/38/01/08/1069380108.db2.gz IRUKZFMIUWVRJV-UHFFFAOYSA-N 1 0 403.491 -0.225 20 0 HBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1 ZINC001299278474 1069381663 /nfs/dbraw/zinc/38/16/63/1069381663.db2.gz PNNXQXPQELTVJS-AWEZNQCLSA-N 1 0 422.559 -0.261 20 0 HBADRO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1 ZINC001299278475 1069381531 /nfs/dbraw/zinc/38/15/31/1069381531.db2.gz PNNXQXPQELTVJS-CQSZACIVSA-N 1 0 422.559 -0.261 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)C[C@H]3C)C2=O)cc1 ZINC001299280105 1069382083 /nfs/dbraw/zinc/38/20/83/1069382083.db2.gz BQHUZBCZXUAPQD-JLTOFOAXSA-N 1 0 404.467 -0.013 20 0 HBADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)C[C@@H]3C)C2=O)cc1 ZINC001299280106 1069382240 /nfs/dbraw/zinc/38/22/40/1069382240.db2.gz BQHUZBCZXUAPQD-VBKZILBWSA-N 1 0 404.467 -0.013 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)C[C@H]3C)C2=O)cc1 ZINC001299280107 1069382043 /nfs/dbraw/zinc/38/20/43/1069382043.db2.gz BQHUZBCZXUAPQD-VLIAUNLRSA-N 1 0 404.467 -0.013 20 0 HBADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(CCO)C[C@@H]3C)C2=O)cc1 ZINC001299280108 1069382205 /nfs/dbraw/zinc/38/22/05/1069382205.db2.gz BQHUZBCZXUAPQD-XOBRGWDASA-N 1 0 404.467 -0.013 20 0 HBADRO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001299295390 1069574535 /nfs/dbraw/zinc/57/45/35/1069574535.db2.gz FOUBQMIOLAOQHC-UHFFFAOYSA-N 1 0 415.564 -0.257 20 0 HBADRO CNS(=O)(=O)CCn1c(C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001299296836 1069682391 /nfs/dbraw/zinc/68/23/91/1069682391.db2.gz OBEGDMKYHRSKME-UHFFFAOYSA-N 1 0 410.548 -0.067 20 0 HBADRO COC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001299351788 1071913533 /nfs/dbraw/zinc/91/35/33/1071913533.db2.gz PGTXMAGITSQGPR-FQEVSTJZSA-N 1 0 420.514 -0.030 20 0 HBADRO COC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001299351790 1071913673 /nfs/dbraw/zinc/91/36/73/1071913673.db2.gz PGTXMAGITSQGPR-HXUWFJFHSA-N 1 0 420.514 -0.030 20 0 HBADRO C[NH+]1CCC(CNC(=O)CNS(=O)(=O)c2ccccc2)(N2CCOCC2)CC1 ZINC001299360469 1071913505 /nfs/dbraw/zinc/91/35/05/1071913505.db2.gz IDEMFCNUKOHJEK-UHFFFAOYSA-N 1 0 410.540 -0.122 20 0 HBADRO C[NH+]1CCC(CNC(=O)c2csc(S(N)(=O)=O)c2)(N2CCOCC2)CC1 ZINC001299362263 1071913585 /nfs/dbraw/zinc/91/35/85/1071913585.db2.gz PZDCRULPBJVQES-UHFFFAOYSA-N 1 0 402.542 -0.078 20 0 HBADRO Cn1cc(/C=C\C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001299362514 1071913491 /nfs/dbraw/zinc/91/34/91/1071913491.db2.gz QASXHRQKIBRUAY-PLNGDYQASA-N 1 0 405.499 -0.990 20 0 HBADRO Cn1cc(/C=C/C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001299362518 1071913607 /nfs/dbraw/zinc/91/36/07/1071913607.db2.gz QASXHRQKIBRUAY-SNAWJCMRSA-N 1 0 405.499 -0.990 20 0 HBADRO C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001299362716 1071913600 /nfs/dbraw/zinc/91/36/00/1071913600.db2.gz QYIYNGYWKZSTCE-AEFFLSMTSA-N 1 0 410.559 -0.045 20 0 HBADRO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001299362719 1071913547 /nfs/dbraw/zinc/91/35/47/1071913547.db2.gz QYIYNGYWKZSTCE-FUHWJXTLSA-N 1 0 410.559 -0.045 20 0 HBADRO C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001299362722 1071913481 /nfs/dbraw/zinc/91/34/81/1071913481.db2.gz QYIYNGYWKZSTCE-SJLPKXTDSA-N 1 0 410.559 -0.045 20 0 HBADRO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001299362724 1071913625 /nfs/dbraw/zinc/91/36/25/1071913625.db2.gz QYIYNGYWKZSTCE-WMZOPIPTSA-N 1 0 410.559 -0.045 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC[N@H+](C)C1 ZINC001299453738 1071918538 /nfs/dbraw/zinc/91/85/38/1071918538.db2.gz VAHQXXQNBZOGME-HNNXBMFYSA-N 1 0 411.480 -0.269 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC[N@H+](C)C1 ZINC001299453739 1071918321 /nfs/dbraw/zinc/91/83/21/1071918321.db2.gz VAHQXXQNBZOGME-OAHLLOKOSA-N 1 0 411.480 -0.269 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC[N@H+](C)C1 ZINC001299455923 1071918638 /nfs/dbraw/zinc/91/86/38/1071918638.db2.gz IQZSNSPEHVYIIP-GDBMZVCRSA-N 1 0 422.457 -0.708 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC[N@H+](C)C1 ZINC001299455924 1071918601 /nfs/dbraw/zinc/91/86/01/1071918601.db2.gz IQZSNSPEHVYIIP-GOEBONIOSA-N 1 0 422.457 -0.708 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC[N@H+](C)C1 ZINC001299455925 1071918478 /nfs/dbraw/zinc/91/84/78/1071918478.db2.gz IQZSNSPEHVYIIP-HOCLYGCPSA-N 1 0 422.457 -0.708 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC[N@H+](C)C1 ZINC001299455926 1071918386 /nfs/dbraw/zinc/91/83/86/1071918386.db2.gz IQZSNSPEHVYIIP-ZBFHGGJFSA-N 1 0 422.457 -0.708 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458238 1071918556 /nfs/dbraw/zinc/91/85/56/1071918556.db2.gz WJFOJLDTDDVMOL-DLBZAZTESA-N 1 0 410.515 -0.737 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458240 1071918434 /nfs/dbraw/zinc/91/84/34/1071918434.db2.gz WJFOJLDTDDVMOL-IAGOWNOFSA-N 1 0 410.515 -0.737 20 0 HBADRO COC(=O)[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458241 1071918576 /nfs/dbraw/zinc/91/85/76/1071918576.db2.gz WJFOJLDTDDVMOL-IRXDYDNUSA-N 1 0 410.515 -0.737 20 0 HBADRO COC(=O)[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458243 1071919092 /nfs/dbraw/zinc/91/90/92/1071919092.db2.gz WJFOJLDTDDVMOL-SJORKVTESA-N 1 0 410.515 -0.737 20 0 HBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001299466650 1071918970 /nfs/dbraw/zinc/91/89/70/1071918970.db2.gz NKEYTLHQVANSRG-UHFFFAOYSA-N 1 0 405.503 -0.173 20 0 HBADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC001481258739 1069087360 /nfs/dbraw/zinc/08/73/60/1069087360.db2.gz CEXHVLDXTIWJHX-JSEZXORMSA-N 1 0 404.471 -0.961 20 0 HBADRO CN(CC[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481260199 1069087397 /nfs/dbraw/zinc/08/73/97/1069087397.db2.gz SPXNXDZMSVQBAM-BCDMZGRMSA-N 1 0 404.511 -0.461 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC001483753713 1071747702 /nfs/dbraw/zinc/74/77/02/1071747702.db2.gz YCXDLKWRULDZJZ-YGTFVGLLSA-N 1 0 404.511 -0.273 20 0 HBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC001483753714 1071748349 /nfs/dbraw/zinc/74/83/49/1071748349.db2.gz YCXDLKWRULDZJZ-ZIVXASGVSA-N 1 0 404.511 -0.273 20 0 HBADRO Cn1ccc(N2CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2=O)n1 ZINC001484489154 1072119587 /nfs/dbraw/zinc/11/95/87/1072119587.db2.gz IPHYCXXZBIDWIV-IDUQQSTBSA-N 1 0 403.483 -0.641 20 0 HBADRO Cn1ccc(N2CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2=O)n1 ZINC001484489155 1072119623 /nfs/dbraw/zinc/11/96/23/1072119623.db2.gz IPHYCXXZBIDWIV-ZHHZMWCQSA-N 1 0 403.483 -0.641 20 0 HBADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1)NCC(=O)N1CCCC1 ZINC001484644040 1072125388 /nfs/dbraw/zinc/12/53/88/1072125388.db2.gz QBZZERSOKJKGLU-LCEIHVTHSA-N 1 0 404.511 -0.223 20 0 HBADRO O=C(C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCC(=O)N1CCCC1 ZINC001485098362 1072129431 /nfs/dbraw/zinc/12/94/31/1072129431.db2.gz ZZLKRCPVYLQWOO-SQDMJNRHSA-N 1 0 404.511 -0.367 20 0 HBADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC001485818981 1072200461 /nfs/dbraw/zinc/20/04/61/1072200461.db2.gz DDAYSGJVKWLBDF-JMVPUORKSA-N 1 0 402.495 -0.166 20 0 HBADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC001485818982 1072200405 /nfs/dbraw/zinc/20/04/05/1072200405.db2.gz DDAYSGJVKWLBDF-ORVJBUBXSA-N 1 0 402.495 -0.166 20 0 HBADRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCC(=O)N1CCCC1 ZINC001488752726 1071801577 /nfs/dbraw/zinc/80/15/77/1071801577.db2.gz BZLPZBYOJJAHBP-IBZGSYRLSA-N 1 0 404.511 -0.367 20 0 HBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2[NH2+]CCS(C)(=O)=O)cn1 ZINC001488981578 1071801700 /nfs/dbraw/zinc/80/17/00/1071801700.db2.gz LFCQILQLPXFGBY-QSAAJNHFSA-N 1 0 408.524 -0.228 20 0 HBADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001489014817 1071801685 /nfs/dbraw/zinc/80/16/85/1071801685.db2.gz OPWFHJZQPGHXMK-MBEHMYBOSA-N 1 0 415.556 -0.246 20 0 HBADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001489281318 1071802193 /nfs/dbraw/zinc/80/21/93/1071802193.db2.gz QPFHRQVKSDYPEN-JSRQGNBESA-N 1 0 403.545 -0.054 20 0 HBADRO O=C(NCCC[NH+]1CCN(CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001490468721 1071806069 /nfs/dbraw/zinc/80/60/69/1071806069.db2.gz NIWZTZXPFNIXJO-SUFIHLRJSA-N 1 0 404.511 -0.317 20 0 HBADRO CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001490547325 1071806545 /nfs/dbraw/zinc/80/65/45/1071806545.db2.gz QXCNGUBNPFNLGL-DLHZGZTKSA-N 1 0 404.511 -0.321 20 0 HBADRO CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001490547326 1071806400 /nfs/dbraw/zinc/80/64/00/1071806400.db2.gz QXCNGUBNPFNLGL-LHFCKMJTSA-N 1 0 404.511 -0.321 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CNS(=O)(=O)NC)CC[N@@H+]1C ZINC001490620923 1071806484 /nfs/dbraw/zinc/80/64/84/1071806484.db2.gz JQXQGYBYTPCRNH-FQKPHLNHSA-N 1 0 401.533 -0.981 20 0 HBADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001490802750 1071871665 /nfs/dbraw/zinc/87/16/65/1071871665.db2.gz GJFXQXYLPADSOV-RYPNDVFKSA-N 1 0 400.545 -0.098 20 0 HBADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)C3)CC[N@@H+]1C ZINC001490812432 1071896413 /nfs/dbraw/zinc/89/64/13/1071896413.db2.gz BVFMJUVXVJWTHN-JKJDWNRSSA-N 1 0 400.545 -0.144 20 0 HBADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001545669865 1070478681 /nfs/dbraw/zinc/47/86/81/1070478681.db2.gz HPCHIPWSVSEHDO-KKUMJFAQSA-N 1 0 407.519 -0.089 20 0 HBADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001545669866 1070478735 /nfs/dbraw/zinc/47/87/35/1070478735.db2.gz HPCHIPWSVSEHDO-RRFJBIMHSA-N 1 0 407.519 -0.089 20 0 HBADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001545669867 1070478582 /nfs/dbraw/zinc/47/85/82/1070478582.db2.gz HPCHIPWSVSEHDO-SOUVJXGZSA-N 1 0 407.519 -0.089 20 0 HBADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001545669868 1070478661 /nfs/dbraw/zinc/47/86/61/1070478661.db2.gz HPCHIPWSVSEHDO-ZNMIVQPWSA-N 1 0 407.519 -0.089 20 0 HBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)o1 ZINC001625968764 1069185860 /nfs/dbraw/zinc/18/58/60/1069185860.db2.gz NSJMAOVCECDFRL-UHFFFAOYSA-N 1 0 414.484 -0.630 20 0 HBADRO CCN1CCC([NH+]2CCC(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001626081732 1069372392 /nfs/dbraw/zinc/37/23/92/1069372392.db2.gz OFZSKGYXOHDVHP-UHFFFAOYSA-N 1 0 416.588 -0.039 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001626082021 1069373386 /nfs/dbraw/zinc/37/33/86/1069373386.db2.gz RMUSMBQCRRLWCP-IBGZPJMESA-N 1 0 411.524 -0.208 20 0 HBADRO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001626082022 1069374221 /nfs/dbraw/zinc/37/42/21/1069374221.db2.gz RMUSMBQCRRLWCP-LJQANCHMSA-N 1 0 411.524 -0.208 20 0 HBADRO Cn1c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC001648886465 1068348258 /nfs/dbraw/zinc/34/82/58/1068348258.db2.gz SPMYWBITGKWXPO-UHFFFAOYSA-N 1 0 403.483 -0.458 20 0 HBADRO NC(=O)[C@@H]1CC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)=NN1c1ccc(F)cc1 ZINC001648908418 1068365549 /nfs/dbraw/zinc/36/55/49/1068365549.db2.gz HXAGMPZKQPSFTO-RIFZZMRRSA-N 1 0 419.457 -0.412 20 0 HBADRO NC(=O)[C@H]1CC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)=NN1c1ccc(F)cc1 ZINC001648908419 1068365139 /nfs/dbraw/zinc/36/51/39/1068365139.db2.gz HXAGMPZKQPSFTO-XAUMDUMWSA-N 1 0 419.457 -0.412 20 0 HBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648908435 1068365237 /nfs/dbraw/zinc/36/52/37/1068365237.db2.gz IRDVISIMYPXXJL-OFQRWUPVSA-N 1 0 409.574 -0.611 20 0 HBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648908436 1068365361 /nfs/dbraw/zinc/36/53/61/1068365361.db2.gz IRDVISIMYPXXJL-SQWLQELKSA-N 1 0 409.574 -0.611 20 0 HBADRO C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1=O ZINC001648908449 1068365502 /nfs/dbraw/zinc/36/55/02/1068365502.db2.gz JIYYVVAJPJHLST-ORYQWCPZSA-N 1 0 416.478 -0.205 20 0 HBADRO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1=O ZINC001648908450 1068366381 /nfs/dbraw/zinc/36/63/81/1068366381.db2.gz JIYYVVAJPJHLST-ZLGUVYLKSA-N 1 0 416.478 -0.205 20 0 HBADRO CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)ccc21 ZINC001648908913 1068375905 /nfs/dbraw/zinc/37/59/05/1068375905.db2.gz UMRWVIQLYXGIDB-QFBILLFUSA-N 1 0 409.508 -0.036 20 0 HBADRO C[C@]1(c2cccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)c2)NC(=O)NC1=O ZINC001648908917 1068376571 /nfs/dbraw/zinc/37/65/71/1068376571.db2.gz USJGOKPEYFXLPL-CWFSZBLJSA-N 1 0 402.451 -0.303 20 0 HBADRO C[C@@]1(c2cccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)c2)NC(=O)NC1=O ZINC001648908918 1068377091 /nfs/dbraw/zinc/37/70/91/1068377091.db2.gz USJGOKPEYFXLPL-RYGJVYDSSA-N 1 0 402.451 -0.303 20 0 HBADRO Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648911639 1068485104 /nfs/dbraw/zinc/48/51/04/1068485104.db2.gz OSVDTHIBVOXSRH-SUMWQHHRSA-N 1 0 417.553 -0.119 20 0 HBADRO O=C(Cn1ccc(Br)cc1=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648912184 1068489263 /nfs/dbraw/zinc/48/92/63/1068489263.db2.gz UABLKSAHSKWAAF-XJKSGUPXSA-N 1 0 400.273 -0.047 20 0 HBADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC001648917569 1068729960 /nfs/dbraw/zinc/72/99/60/1068729960.db2.gz HRCNBDGRKMJHQV-BHYGNILZSA-N 1 0 406.508 -0.123 20 0 HBADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC001648917570 1068730713 /nfs/dbraw/zinc/73/07/13/1068730713.db2.gz HRCNBDGRKMJHQV-UAGQMJEPSA-N 1 0 406.508 -0.123 20 0 HBADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC001648917571 1068730610 /nfs/dbraw/zinc/73/06/10/1068730610.db2.gz HRCNBDGRKMJHQV-USXIJHARSA-N 1 0 406.508 -0.123 20 0 HBADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC001648917572 1068731335 /nfs/dbraw/zinc/73/13/35/1068731335.db2.gz HRCNBDGRKMJHQV-XIRDDKMYSA-N 1 0 406.508 -0.123 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001648919162 1068753594 /nfs/dbraw/zinc/75/35/94/1068753594.db2.gz CBSSVDPKKHFNOX-NRFANRHFSA-N 1 0 402.495 -0.208 20 0 HBADRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001648919163 1068753692 /nfs/dbraw/zinc/75/36/92/1068753692.db2.gz CBSSVDPKKHFNOX-OAQYLSRUSA-N 1 0 402.495 -0.208 20 0 HBADRO C[NH+]1CCN(c2ccc(CCNC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC001649008366 1070485296 /nfs/dbraw/zinc/48/52/96/1070485296.db2.gz KXKYDKCQJADHGP-UHFFFAOYSA-N 1 0 406.512 -0.359 20 0 HBADRO Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001649008663 1070502351 /nfs/dbraw/zinc/50/23/51/1070502351.db2.gz NUNQBFRQYWLXQQ-UHFFFAOYSA-N 1 0 420.539 -0.191 20 0 HBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC[N@H+](C)CCO)c1 ZINC001649035997 1072030849 /nfs/dbraw/zinc/03/08/49/1072030849.db2.gz SUBWMWMVMZXHIA-UHFFFAOYSA-N 1 0 414.528 -0.573 20 0 HBADRO CC[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001649123077 1069425959 /nfs/dbraw/zinc/42/59/59/1069425959.db2.gz PFQCTRBPKPMJIB-CYBMUJFWSA-N 1 0 403.526 -0.079 20 0 HBADRO CC[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001649123083 1069425880 /nfs/dbraw/zinc/42/58/80/1069425880.db2.gz PFQCTRBPKPMJIB-ZDUSSCGKSA-N 1 0 403.526 -0.079 20 0 HBADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC001649146387 1070966621 /nfs/dbraw/zinc/96/66/21/1070966621.db2.gz MINFWXWPHIGAFC-LXGFNABISA-N 1 0 407.511 -0.231 20 0 HBADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC001649146388 1070966532 /nfs/dbraw/zinc/96/65/32/1070966532.db2.gz MINFWXWPHIGAFC-RYLXDESZSA-N 1 0 407.511 -0.231 20 0 HBADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC001649146389 1070966645 /nfs/dbraw/zinc/96/66/45/1070966645.db2.gz MINFWXWPHIGAFC-TWFHAPMSSA-N 1 0 407.511 -0.231 20 0 HBADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC001649146390 1070966672 /nfs/dbraw/zinc/96/66/72/1070966672.db2.gz MINFWXWPHIGAFC-XKGFGPFHSA-N 1 0 407.511 -0.231 20 0 HBADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC001649166093 1071895222 /nfs/dbraw/zinc/89/52/22/1071895222.db2.gz HDTIVFPHRSUUBH-UHFFFAOYSA-N 1 0 410.949 -0.346 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)[C@@H](C)C1 ZINC001670385275 1068351193 /nfs/dbraw/zinc/35/11/93/1068351193.db2.gz MJBFKKKMXFUBTR-KBPBESRZSA-N 1 0 400.501 -0.188 20 0 HBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)[C@H](C)C1 ZINC001670385276 1068351064 /nfs/dbraw/zinc/35/10/64/1068351064.db2.gz MJBFKKKMXFUBTR-KGLIPLIRSA-N 1 0 400.501 -0.188 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)[C@@H](C)C1 ZINC001670385277 1068350790 /nfs/dbraw/zinc/35/07/90/1068350790.db2.gz MJBFKKKMXFUBTR-UONOGXRCSA-N 1 0 400.501 -0.188 20 0 HBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)[C@H](C)C1 ZINC001670385278 1068351155 /nfs/dbraw/zinc/35/11/55/1068351155.db2.gz MJBFKKKMXFUBTR-ZIAGYGMSSA-N 1 0 400.501 -0.188 20 0 HBADRO CNC(=O)Cn1nc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1C ZINC001670404712 1068352371 /nfs/dbraw/zinc/35/23/71/1068352371.db2.gz IIEJPKSSMOAIHA-UHFFFAOYSA-N 1 0 407.519 -0.144 20 0 HBADRO COCCNC(=O)c1cccc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC001670465981 1068363313 /nfs/dbraw/zinc/36/33/13/1068363313.db2.gz WYOMOQCGGXTNRB-UHFFFAOYSA-N 1 0 410.540 -0.069 20 0 HBADRO COC(=O)[C@]1(N2CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)CCOC1 ZINC001670482179 1068366135 /nfs/dbraw/zinc/36/61/35/1068366135.db2.gz MSRCQPKJTNFFKC-ROUUACIJSA-N 1 0 401.529 -0.248 20 0 HBADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001670485778 1068366679 /nfs/dbraw/zinc/36/66/79/1068366679.db2.gz IJUBWKOMZMJAKX-BZUAXINKSA-N 1 0 404.533 -0.676 20 0 HBADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001670485793 1068366806 /nfs/dbraw/zinc/36/68/06/1068366806.db2.gz IJUBWKOMZMJAKX-OAGGEKHMSA-N 1 0 404.533 -0.676 20 0 HBADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001670485795 1068366634 /nfs/dbraw/zinc/36/66/34/1068366634.db2.gz IJUBWKOMZMJAKX-OWCLPIDISA-N 1 0 404.533 -0.676 20 0 HBADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001670485802 1068366814 /nfs/dbraw/zinc/36/68/14/1068366814.db2.gz IJUBWKOMZMJAKX-PMPSAXMXSA-N 1 0 404.533 -0.676 20 0 HBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001670486103 1068366752 /nfs/dbraw/zinc/36/67/52/1068366752.db2.gz KXEIBRRZOVYRPP-DLBZAZTESA-N 1 0 417.576 -0.066 20 0 HBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001670486104 1068366736 /nfs/dbraw/zinc/36/67/36/1068366736.db2.gz KXEIBRRZOVYRPP-IAGOWNOFSA-N 1 0 417.576 -0.066 20 0 HBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001670486105 1068366934 /nfs/dbraw/zinc/36/69/34/1068366934.db2.gz KXEIBRRZOVYRPP-IRXDYDNUSA-N 1 0 417.576 -0.066 20 0 HBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001670486106 1068366839 /nfs/dbraw/zinc/36/68/39/1068366839.db2.gz KXEIBRRZOVYRPP-SJORKVTESA-N 1 0 417.576 -0.066 20 0 HBADRO CN(CC[N@H+](C)CCO)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001670602986 1068392831 /nfs/dbraw/zinc/39/28/31/1068392831.db2.gz CCNUSTQITCKVPE-UHFFFAOYSA-N 1 0 420.470 -0.045 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001670728228 1068441019 /nfs/dbraw/zinc/44/10/19/1068441019.db2.gz SEGJOKYHZPGUHD-AWEZNQCLSA-N 1 0 423.561 -1.000 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001670728229 1068440798 /nfs/dbraw/zinc/44/07/98/1068440798.db2.gz SEGJOKYHZPGUHD-CQSZACIVSA-N 1 0 423.561 -1.000 20 0 HBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001670745392 1068693014 /nfs/dbraw/zinc/69/30/14/1068693014.db2.gz FPVIRBCSXOJXCW-OXJNMPFZSA-N 1 0 419.482 -0.490 20 0 HBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC001670760280 1068942567 /nfs/dbraw/zinc/94/25/67/1068942567.db2.gz XOFIVUXEVBDYQD-RYUDHWBXSA-N 1 0 403.505 -0.594 20 0 HBADRO O=C(Nc1n[nH]nc1C(=O)N1CCCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001670801977 1070392321 /nfs/dbraw/zinc/39/23/21/1070392321.db2.gz XZRSKQKQFHGUDR-HNNXBMFYSA-N 1 0 420.518 -0.041 20 0 HBADRO O=C(Nc1n[nH]nc1C(=O)N1CCCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001670801979 1070392490 /nfs/dbraw/zinc/39/24/90/1070392490.db2.gz XZRSKQKQFHGUDR-OAHLLOKOSA-N 1 0 420.518 -0.041 20 0 HBADRO COCCNS(=O)(=O)c1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC001670912773 1069095820 /nfs/dbraw/zinc/09/58/20/1069095820.db2.gz SMGZQSULKBVQQG-AWEZNQCLSA-N 1 0 416.500 -0.192 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC001670927474 1069112753 /nfs/dbraw/zinc/11/27/53/1069112753.db2.gz LTYGWXCPSQPRIN-AWEZNQCLSA-N 1 0 407.562 -0.107 20 0 HBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC001670927475 1069112936 /nfs/dbraw/zinc/11/29/36/1069112936.db2.gz LTYGWXCPSQPRIN-CQSZACIVSA-N 1 0 407.562 -0.107 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC001670968583 1069117975 /nfs/dbraw/zinc/11/79/75/1069117975.db2.gz AGRRSTUEZOGLNN-JTQLQIEISA-N 1 0 413.422 -0.114 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC001670968584 1069117913 /nfs/dbraw/zinc/11/79/13/1069117913.db2.gz AGRRSTUEZOGLNN-SNVBAGLBSA-N 1 0 413.422 -0.114 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)CC1=O ZINC001670968670 1069118647 /nfs/dbraw/zinc/11/86/47/1069118647.db2.gz CEEDABWWZULRTN-HWOWSKLDSA-N 1 0 419.544 -0.183 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)CC1=O ZINC001670968671 1069118898 /nfs/dbraw/zinc/11/88/98/1069118898.db2.gz CEEDABWWZULRTN-PCKAHOCUSA-N 1 0 419.544 -0.183 20 0 HBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1=O ZINC001670969842 1069118805 /nfs/dbraw/zinc/11/88/05/1069118805.db2.gz POKYMFJXQLZXEW-GFCCVEGCSA-N 1 0 412.468 -0.009 20 0 HBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1=O ZINC001670969843 1069118557 /nfs/dbraw/zinc/11/85/57/1069118557.db2.gz POKYMFJXQLZXEW-LBPRGKRZSA-N 1 0 412.468 -0.009 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670983328 1069120965 /nfs/dbraw/zinc/12/09/65/1069120965.db2.gz BKHJRTYHPWUABY-CKEIUWERSA-N 1 0 402.517 -0.516 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670983329 1069121221 /nfs/dbraw/zinc/12/12/21/1069121221.db2.gz BKHJRTYHPWUABY-CPUCHLNUSA-N 1 0 402.517 -0.516 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670983330 1069121178 /nfs/dbraw/zinc/12/11/78/1069121178.db2.gz BKHJRTYHPWUABY-JKIFEVAISA-N 1 0 402.517 -0.516 20 0 HBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670983331 1069121005 /nfs/dbraw/zinc/12/10/05/1069121005.db2.gz BKHJRTYHPWUABY-KEYYUXOJSA-N 1 0 402.517 -0.516 20 0 HBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001671000600 1069123866 /nfs/dbraw/zinc/12/38/66/1069123866.db2.gz OSHOQACYIVBKSX-UHFFFAOYSA-N 1 0 403.549 -0.283 20 0 HBADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001671000642 1069123922 /nfs/dbraw/zinc/12/39/22/1069123922.db2.gz QJQFHVFBEDLPME-UHFFFAOYSA-N 1 0 402.542 -0.266 20 0 HBADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC001671041875 1069128270 /nfs/dbraw/zinc/12/82/70/1069128270.db2.gz FVKVHYOCLHZSIN-UHFFFAOYSA-N 1 0 423.539 -0.205 20 0 HBADRO COC(=O)[C@@]1(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)CCOC1 ZINC001687117043 1068242740 /nfs/dbraw/zinc/24/27/40/1068242740.db2.gz CFSRHZSBIPXKSZ-FXAWDEMLSA-N 1 0 410.515 -0.101 20 0 HBADRO COC(=O)[C@]1(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)CCOC1 ZINC001687117044 1068242688 /nfs/dbraw/zinc/24/26/88/1068242688.db2.gz CFSRHZSBIPXKSZ-PXNSSMCTSA-N 1 0 410.515 -0.101 20 0 HBADRO COC(=O)[C@]1(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)CCOC1 ZINC001687117045 1068242570 /nfs/dbraw/zinc/24/25/70/1068242570.db2.gz CFSRHZSBIPXKSZ-XLIONFOSSA-N 1 0 410.515 -0.101 20 0 HBADRO COC(=O)[C@@]1(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)CCOC1 ZINC001687117046 1068242637 /nfs/dbraw/zinc/24/26/37/1068242637.db2.gz CFSRHZSBIPXKSZ-YLJYHZDGSA-N 1 0 410.515 -0.101 20 0 HBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC001687213151 1068445703 /nfs/dbraw/zinc/44/57/03/1068445703.db2.gz YVUUNJRXVPELJW-HNNXBMFYSA-N 1 0 403.549 -0.238 20 0 HBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC001687213152 1068445645 /nfs/dbraw/zinc/44/56/45/1068445645.db2.gz YVUUNJRXVPELJW-OAHLLOKOSA-N 1 0 403.549 -0.238 20 0 HBADRO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001687214384 1068446473 /nfs/dbraw/zinc/44/64/73/1068446473.db2.gz PODHZYZAQFZFTC-HKUYNNGSSA-N 1 0 423.558 -0.138 20 0 HBADRO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001687214386 1068446741 /nfs/dbraw/zinc/44/67/41/1068446741.db2.gz PODHZYZAQFZFTC-IEBWSBKVSA-N 1 0 423.558 -0.138 20 0 HBADRO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001687214389 1068446652 /nfs/dbraw/zinc/44/66/52/1068446652.db2.gz PODHZYZAQFZFTC-MJGOQNOKSA-N 1 0 423.558 -0.138 20 0 HBADRO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001687214390 1068446559 /nfs/dbraw/zinc/44/65/59/1068446559.db2.gz PODHZYZAQFZFTC-PKOBYXMFSA-N 1 0 423.558 -0.138 20 0 HBADRO COC(=O)CCNC(=O)CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001687281573 1068487248 /nfs/dbraw/zinc/48/72/48/1068487248.db2.gz KVWVNOKPGVPNKM-FQEVSTJZSA-N 1 0 406.483 -0.008 20 0 HBADRO COC(=O)CCNC(=O)CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001687281574 1068487285 /nfs/dbraw/zinc/48/72/85/1068487285.db2.gz KVWVNOKPGVPNKM-HXUWFJFHSA-N 1 0 406.483 -0.008 20 0 HBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1 ZINC001687341612 1068503233 /nfs/dbraw/zinc/50/32/33/1068503233.db2.gz KSZCEEAILPHINA-AWEZNQCLSA-N 1 0 411.528 -0.101 20 0 HBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1 ZINC001687341617 1068503300 /nfs/dbraw/zinc/50/33/00/1068503300.db2.gz KSZCEEAILPHINA-CQSZACIVSA-N 1 0 411.528 -0.101 20 0 HBADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346539 1068503830 /nfs/dbraw/zinc/50/38/30/1068503830.db2.gz JTUHCHJDDYRQNX-NRFANRHFSA-N 1 0 423.558 -0.184 20 0 HBADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346540 1068504517 /nfs/dbraw/zinc/50/45/17/1068504517.db2.gz JTUHCHJDDYRQNX-OAQYLSRUSA-N 1 0 423.558 -0.184 20 0 HBADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687347301 1068505005 /nfs/dbraw/zinc/50/50/05/1068505005.db2.gz YXZIQYOUXHRUNT-NRFANRHFSA-N 1 0 423.558 -0.186 20 0 HBADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687347302 1068504867 /nfs/dbraw/zinc/50/48/67/1068504867.db2.gz YXZIQYOUXHRUNT-OAQYLSRUSA-N 1 0 423.558 -0.186 20 0 HBADRO COCc1nnc2n1CCN(C(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC001687426246 1069382156 /nfs/dbraw/zinc/38/21/56/1069382156.db2.gz FBNSVQDKOFHWPN-INIZCTEOSA-N 1 0 407.519 -0.254 20 0 HBADRO COCc1nnc2n1CCN(C(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC001687426247 1069382419 /nfs/dbraw/zinc/38/24/19/1069382419.db2.gz FBNSVQDKOFHWPN-MRXNPFEDSA-N 1 0 407.519 -0.254 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426352 1069383674 /nfs/dbraw/zinc/38/36/74/1069383674.db2.gz HSBMLEOIVGCLOX-IBGZPJMESA-N 1 0 424.590 -0.365 20 0 HBADRO CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426353 1069383418 /nfs/dbraw/zinc/38/34/18/1069383418.db2.gz HSBMLEOIVGCLOX-LJQANCHMSA-N 1 0 424.590 -0.365 20 0 HBADRO C[S@](=N)(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426936 1069384268 /nfs/dbraw/zinc/38/42/68/1069384268.db2.gz SSALIJIAAKYKNF-CHAGWJKLSA-N 1 0 402.565 -0.298 20 0 HBADRO C[S@@](=N)(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426937 1069384041 /nfs/dbraw/zinc/38/40/41/1069384041.db2.gz SSALIJIAAKYKNF-JWIGPWBQSA-N 1 0 402.565 -0.298 20 0 HBADRO C[S@@](=N)(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426938 1069385017 /nfs/dbraw/zinc/38/50/17/1069385017.db2.gz SSALIJIAAKYKNF-OQRWROFFSA-N 1 0 402.565 -0.298 20 0 HBADRO C[S@](=N)(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001687426939 1069384775 /nfs/dbraw/zinc/38/47/75/1069384775.db2.gz SSALIJIAAKYKNF-RKOGDMNLSA-N 1 0 402.565 -0.298 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001687426951 1069385059 /nfs/dbraw/zinc/38/50/59/1069385059.db2.gz SUSRWXIQHJEHJV-DLBZAZTESA-N 1 0 422.530 -0.539 20 0 HBADRO CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001687426952 1069385122 /nfs/dbraw/zinc/38/51/22/1069385122.db2.gz SUSRWXIQHJEHJV-IAGOWNOFSA-N 1 0 422.530 -0.539 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001687426953 1069384845 /nfs/dbraw/zinc/38/48/45/1069384845.db2.gz SUSRWXIQHJEHJV-IRXDYDNUSA-N 1 0 422.530 -0.539 20 0 HBADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001687426954 1069384922 /nfs/dbraw/zinc/38/49/22/1069384922.db2.gz SUSRWXIQHJEHJV-SJORKVTESA-N 1 0 422.530 -0.539 20 0 HBADRO CC(=O)c1cn(C2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC001687427480 1069385423 /nfs/dbraw/zinc/38/54/23/1069385423.db2.gz ZVABAAVLTXGQOV-INIZCTEOSA-N 1 0 405.503 -0.156 20 0 HBADRO CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC001687427481 1069385677 /nfs/dbraw/zinc/38/56/77/1069385677.db2.gz ZVABAAVLTXGQOV-MRXNPFEDSA-N 1 0 405.503 -0.156 20 0 HBADRO CC[NH+]1CCC(N2CCCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)CC1 ZINC001687452822 1069107560 /nfs/dbraw/zinc/10/75/60/1069107560.db2.gz DTMOUKWRGRCZRJ-UHFFFAOYSA-N 1 0 404.519 -0.277 20 0 HBADRO CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)nn2)C1 ZINC001687536193 1071638338 /nfs/dbraw/zinc/63/83/38/1071638338.db2.gz VJEFXKKSEIQLJQ-HNNXBMFYSA-N 1 0 409.491 -0.064 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CCO1 ZINC001690960615 1068275690 /nfs/dbraw/zinc/27/56/90/1068275690.db2.gz WGHKLVBLLOLMFD-CVEARBPZSA-N 1 0 405.503 -0.334 20 0 HBADRO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CCO1 ZINC001690960616 1068275774 /nfs/dbraw/zinc/27/57/74/1068275774.db2.gz WGHKLVBLLOLMFD-HOTGVXAUSA-N 1 0 405.503 -0.334 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CCO1 ZINC001690960617 1068275641 /nfs/dbraw/zinc/27/56/41/1068275641.db2.gz WGHKLVBLLOLMFD-HZPDHXFCSA-N 1 0 405.503 -0.334 20 0 HBADRO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CCO1 ZINC001690960618 1068275754 /nfs/dbraw/zinc/27/57/54/1068275754.db2.gz WGHKLVBLLOLMFD-JKSUJKDBSA-N 1 0 405.503 -0.334 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960789 1068275650 /nfs/dbraw/zinc/27/56/50/1068275650.db2.gz ZJDSAHYDGVHNMX-FUHIMQAGSA-N 1 0 422.530 -0.072 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960790 1068275597 /nfs/dbraw/zinc/27/55/97/1068275597.db2.gz ZJDSAHYDGVHNMX-HLIPFELVSA-N 1 0 422.530 -0.072 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960791 1068275783 /nfs/dbraw/zinc/27/57/83/1068275783.db2.gz ZJDSAHYDGVHNMX-MBOZVWFJSA-N 1 0 422.530 -0.072 20 0 HBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960792 1068275730 /nfs/dbraw/zinc/27/57/30/1068275730.db2.gz ZJDSAHYDGVHNMX-UWVAXJGDSA-N 1 0 422.530 -0.072 20 0 HBADRO CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001690975735 1068280834 /nfs/dbraw/zinc/28/08/34/1068280834.db2.gz LVJLZWJUXWKRNG-DLBZAZTESA-N 1 0 419.530 -0.086 20 0 HBADRO CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001690975736 1068281434 /nfs/dbraw/zinc/28/14/34/1068281434.db2.gz LVJLZWJUXWKRNG-IAGOWNOFSA-N 1 0 419.530 -0.086 20 0 HBADRO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001690975737 1068281205 /nfs/dbraw/zinc/28/12/05/1068281205.db2.gz LVJLZWJUXWKRNG-IRXDYDNUSA-N 1 0 419.530 -0.086 20 0 HBADRO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001690975738 1068281269 /nfs/dbraw/zinc/28/12/69/1068281269.db2.gz LVJLZWJUXWKRNG-SJORKVTESA-N 1 0 419.530 -0.086 20 0 HBADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001691202159 1068552043 /nfs/dbraw/zinc/55/20/43/1068552043.db2.gz JGFQJABEZFWUPL-CYBMUJFWSA-N 1 0 413.548 -0.301 20 0 HBADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001691202160 1068551857 /nfs/dbraw/zinc/55/18/57/1068551857.db2.gz JGFQJABEZFWUPL-ZDUSSCGKSA-N 1 0 413.548 -0.301 20 0 HBADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001691324941 1068583317 /nfs/dbraw/zinc/58/33/17/1068583317.db2.gz AREBAOLHXWWDJK-BHZVOMLSSA-N 1 0 401.529 -0.588 20 0 HBADRO