smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2ccc(C)cn2c1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000007738267 204248808 /nfs/dbraw/zinc/24/88/08/204248808.db2.gz YPUUJDWRTFVXHA-CSKARUKUSA-N 1 2 399.498 3.180 10 30 GGEELO N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310304 204270255 /nfs/dbraw/zinc/27/02/55/204270255.db2.gz MRWWLQUHKSXOSR-LJQANCHMSA-N 1 2 377.444 3.495 10 30 GGEELO N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310304 204270259 /nfs/dbraw/zinc/27/02/59/204270259.db2.gz MRWWLQUHKSXOSR-LJQANCHMSA-N 1 2 377.444 3.495 10 30 GGEELO Cc1nc(-c2ccc(C#N)cc2)n(C[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000058217972 136155133 /nfs/dbraw/zinc/15/51/33/136155133.db2.gz ITTSWEBSJHKTJC-UHFFFAOYSA-N 1 2 376.439 3.044 10 30 GGEELO C#CCN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000072273211 518271831 /nfs/dbraw/zinc/27/18/31/518271831.db2.gz LVQCUOHLOZTCIT-LJQANCHMSA-N 1 2 394.544 3.128 10 30 GGEELO C#CCN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072273211 518271836 /nfs/dbraw/zinc/27/18/36/518271836.db2.gz LVQCUOHLOZTCIT-LJQANCHMSA-N 1 2 394.544 3.128 10 30 GGEELO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](C)O ZINC000036207169 518800105 /nfs/dbraw/zinc/80/01/05/518800105.db2.gz XEUJAJPQSBCKBA-CYBMUJFWSA-N 1 2 385.489 3.029 10 30 GGEELO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](C)O ZINC000036207169 518800107 /nfs/dbraw/zinc/80/01/07/518800107.db2.gz XEUJAJPQSBCKBA-CYBMUJFWSA-N 1 2 385.489 3.029 10 30 GGEELO C=CC[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036313207 518801272 /nfs/dbraw/zinc/80/12/72/518801272.db2.gz NYHSRYPEOQNFJV-OAHLLOKOSA-N 1 2 393.553 3.130 10 30 GGEELO C=CC[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036313207 518801276 /nfs/dbraw/zinc/80/12/76/518801276.db2.gz NYHSRYPEOQNFJV-OAHLLOKOSA-N 1 2 393.553 3.130 10 30 GGEELO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](C)O ZINC000036207168 518801541 /nfs/dbraw/zinc/80/15/41/518801541.db2.gz XEUJAJPQSBCKBA-ZDUSSCGKSA-N 1 2 385.489 3.029 10 30 GGEELO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](C)O ZINC000036207168 518801546 /nfs/dbraw/zinc/80/15/46/518801546.db2.gz XEUJAJPQSBCKBA-ZDUSSCGKSA-N 1 2 385.489 3.029 10 30 GGEELO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccncc2)CC1 ZINC000034906482 519267739 /nfs/dbraw/zinc/26/77/39/519267739.db2.gz OBOXIJQQFTUIAX-UHFFFAOYSA-N 1 2 375.476 3.150 10 30 GGEELO Cc1noc(C(F)(F)F)c1C(=O)ONC(=[NH2+])c1cccc(C(F)(F)F)c1 ZINC000004390032 526466226 /nfs/dbraw/zinc/46/62/26/526466226.db2.gz GKARVYBXQYTSFX-UHFFFAOYSA-N 1 2 381.232 3.498 10 30 GGEELO O=C(/C=C\c1cn(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12)c1cccs1 ZINC000033531630 527659910 /nfs/dbraw/zinc/65/99/10/527659910.db2.gz KNSVPMPQEKEHRK-JTHGQSKGSA-N 1 2 396.512 3.292 10 30 GGEELO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)NC)cc1)Cc1ccc(Cl)s1 ZINC000007592124 564237878 /nfs/dbraw/zinc/23/78/78/564237878.db2.gz CMJIFMZGBHORDB-UHFFFAOYSA-N 1 2 377.897 3.388 10 30 GGEELO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)NC)cc1)Cc1ccc(Cl)s1 ZINC000007592124 564237883 /nfs/dbraw/zinc/23/78/83/564237883.db2.gz CMJIFMZGBHORDB-UHFFFAOYSA-N 1 2 377.897 3.388 10 30 GGEELO N#Cc1c[nH]c(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000133160592 564764715 /nfs/dbraw/zinc/76/47/15/564764715.db2.gz QPKJNHQJARDGCD-UHFFFAOYSA-N 1 2 377.275 3.194 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC)cc1OCC ZINC000092097595 564874277 /nfs/dbraw/zinc/87/42/77/564874277.db2.gz RIINTYLDMJZUFU-OAHLLOKOSA-N 1 2 397.313 3.123 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2C(=O)NC)cc1OCC ZINC000092097595 564874280 /nfs/dbraw/zinc/87/42/80/564874280.db2.gz RIINTYLDMJZUFU-OAHLLOKOSA-N 1 2 397.313 3.123 10 30 GGEELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](C)O2 ZINC000374028612 565316165 /nfs/dbraw/zinc/31/61/65/565316165.db2.gz RENHPZIWNXFTNU-QWQRMKEZSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](C)O2 ZINC000374028612 565316169 /nfs/dbraw/zinc/31/61/69/565316169.db2.gz RENHPZIWNXFTNU-QWQRMKEZSA-N 1 2 379.298 3.479 10 30 GGEELO COc1cc2c(cc1OC)C[N@H+](CCNc1snc(Cl)c1C#N)CC2 ZINC000301072030 565462704 /nfs/dbraw/zinc/46/27/04/565462704.db2.gz CDDWXECAXCFYPT-UHFFFAOYSA-N 1 2 378.885 3.156 10 30 GGEELO COc1cc2c(cc1OC)C[N@@H+](CCNc1snc(Cl)c1C#N)CC2 ZINC000301072030 565462712 /nfs/dbraw/zinc/46/27/12/565462712.db2.gz CDDWXECAXCFYPT-UHFFFAOYSA-N 1 2 378.885 3.156 10 30 GGEELO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041665 565591948 /nfs/dbraw/zinc/59/19/48/565591948.db2.gz DIHUPWZFXZNMBT-KBAYOESNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041665 565591953 /nfs/dbraw/zinc/59/19/53/565591953.db2.gz DIHUPWZFXZNMBT-KBAYOESNSA-N 1 2 379.298 3.073 10 30 GGEELO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1csc2ccccc12 ZINC000329463811 565667496 /nfs/dbraw/zinc/66/74/96/565667496.db2.gz UNYXGFQTCHXMMK-SFHVURJKSA-N 1 2 377.535 3.435 10 30 GGEELO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000329742287 565677940 /nfs/dbraw/zinc/67/79/40/565677940.db2.gz WLLSANWQKMSXFI-TZMCWYRMSA-N 1 2 375.270 3.221 10 30 GGEELO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000329742287 565677951 /nfs/dbraw/zinc/67/79/51/565677951.db2.gz WLLSANWQKMSXFI-TZMCWYRMSA-N 1 2 375.270 3.221 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2I)C1=O ZINC000410370540 565679852 /nfs/dbraw/zinc/67/98/52/565679852.db2.gz HRXLXMDVXBLOSS-CVEARBPZSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2I)C1=O ZINC000410370540 565679859 /nfs/dbraw/zinc/67/98/59/565679859.db2.gz HRXLXMDVXBLOSS-CVEARBPZSA-N 1 2 396.272 3.215 10 30 GGEELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331339863 565755703 /nfs/dbraw/zinc/75/57/03/565755703.db2.gz RXYCLFLISWJTMJ-CVEARBPZSA-N 1 2 387.908 3.084 10 30 GGEELO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331339863 565755707 /nfs/dbraw/zinc/75/57/07/565755707.db2.gz RXYCLFLISWJTMJ-CVEARBPZSA-N 1 2 387.908 3.084 10 30 GGEELO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000179654414 565996753 /nfs/dbraw/zinc/99/67/53/565996753.db2.gz RCJBKRITLUOMNW-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748474 566004396 /nfs/dbraw/zinc/00/43/96/566004396.db2.gz NLHMEFDOJBROED-CVEARBPZSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748474 566004402 /nfs/dbraw/zinc/00/44/02/566004402.db2.gz NLHMEFDOJBROED-CVEARBPZSA-N 1 2 375.881 3.075 10 30 GGEELO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194997 566042250 /nfs/dbraw/zinc/04/22/50/566042250.db2.gz XYNCXIGRNWOOGH-SJORKVTESA-N 1 2 387.908 3.228 10 30 GGEELO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194997 566042256 /nfs/dbraw/zinc/04/22/56/566042256.db2.gz XYNCXIGRNWOOGH-SJORKVTESA-N 1 2 387.908 3.228 10 30 GGEELO N#Cc1cccnc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000247695452 566065480 /nfs/dbraw/zinc/06/54/80/566065480.db2.gz ZSXCLCKNSVTSTF-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO COC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c([NH+]=CN(C)C)s1 ZINC000252513402 566114612 /nfs/dbraw/zinc/11/46/12/566114612.db2.gz ZOOALAPCAQEXPE-UHFFFAOYSA-N 1 2 378.294 3.068 10 30 GGEELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000366438660 566152730 /nfs/dbraw/zinc/15/27/30/566152730.db2.gz LWWJBGNZTRANOY-OAHLLOKOSA-N 1 2 385.327 3.110 10 30 GGEELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000366438660 566152737 /nfs/dbraw/zinc/15/27/37/566152737.db2.gz LWWJBGNZTRANOY-OAHLLOKOSA-N 1 2 385.327 3.110 10 30 GGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000366438659 566153156 /nfs/dbraw/zinc/15/31/56/566153156.db2.gz LWWJBGNZTRANOY-HNNXBMFYSA-N 1 2 385.327 3.110 10 30 GGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000366438659 566153159 /nfs/dbraw/zinc/15/31/59/566153159.db2.gz LWWJBGNZTRANOY-HNNXBMFYSA-N 1 2 385.327 3.110 10 30 GGEELO COC(=O)C[C@@](C)([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000419290513 566231712 /nfs/dbraw/zinc/23/17/12/566231712.db2.gz YZESZOIHBWGUSB-MRXNPFEDSA-N 1 2 394.294 3.345 10 30 GGEELO N#CC1(C[C@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353222 566255353 /nfs/dbraw/zinc/25/53/53/566255353.db2.gz GVAKOPRAFXBEAP-HNNXBMFYSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353222 566255356 /nfs/dbraw/zinc/25/53/56/566255356.db2.gz GVAKOPRAFXBEAP-HNNXBMFYSA-N 1 2 397.288 3.018 10 30 GGEELO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599573007 566275409 /nfs/dbraw/zinc/27/54/09/566275409.db2.gz KUAIBJFUDWSMFI-OAHLLOKOSA-N 1 2 392.297 3.157 10 30 GGEELO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599573007 566275415 /nfs/dbraw/zinc/27/54/15/566275415.db2.gz KUAIBJFUDWSMFI-OAHLLOKOSA-N 1 2 392.297 3.157 10 30 GGEELO COC(=O)[C@]1([NH2+]CCCSCC#N)CCc2cc(Br)ccc2C1 ZINC000599597216 566278846 /nfs/dbraw/zinc/27/88/46/566278846.db2.gz VUZUQFYPIGAAGU-KRWDZBQOSA-N 1 2 397.338 3.086 10 30 GGEELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@@H]21 ZINC000599644387 566282131 /nfs/dbraw/zinc/28/21/31/566282131.db2.gz AIPLDPIDXFQREO-ZACQAIPSSA-N 1 2 377.282 3.484 10 30 GGEELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@@H]21 ZINC000599644387 566282137 /nfs/dbraw/zinc/28/21/37/566282137.db2.gz AIPLDPIDXFQREO-ZACQAIPSSA-N 1 2 377.282 3.484 10 30 GGEELO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445898263 566318344 /nfs/dbraw/zinc/31/83/44/566318344.db2.gz QLXNCUVAMLOMDW-INIZCTEOSA-N 1 2 379.298 3.405 10 30 GGEELO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445898263 566318348 /nfs/dbraw/zinc/31/83/48/566318348.db2.gz QLXNCUVAMLOMDW-INIZCTEOSA-N 1 2 379.298 3.405 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794518 566359961 /nfs/dbraw/zinc/35/99/61/566359961.db2.gz LEXOUNIPYIZWAX-HOTGVXAUSA-N 1 2 379.298 3.382 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794518 566359966 /nfs/dbraw/zinc/35/99/66/566359966.db2.gz LEXOUNIPYIZWAX-HOTGVXAUSA-N 1 2 379.298 3.382 10 30 GGEELO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1OCCCO ZINC000463046130 566378638 /nfs/dbraw/zinc/37/86/38/566378638.db2.gz YOZFJFSUKBCVSY-NSHDSACASA-N 1 2 396.310 3.389 10 30 GGEELO C=CC[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000626583584 566426166 /nfs/dbraw/zinc/42/61/66/566426166.db2.gz OTIDWKUGFRQJSC-CYBMUJFWSA-N 1 2 395.301 3.111 10 30 GGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537174521 566428311 /nfs/dbraw/zinc/42/83/11/566428311.db2.gz OTPOJTQMASZCQV-ZDUSSCGKSA-N 1 2 378.314 3.124 10 30 GGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537174521 566428319 /nfs/dbraw/zinc/42/83/19/566428319.db2.gz OTPOJTQMASZCQV-ZDUSSCGKSA-N 1 2 378.314 3.124 10 30 GGEELO N#Cc1cc(Br)ccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448706317 566488647 /nfs/dbraw/zinc/48/86/47/566488647.db2.gz XXKPTUMOPWVDQQ-UHFFFAOYSA-N 1 2 385.265 3.115 10 30 GGEELO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000602947361 566501794 /nfs/dbraw/zinc/50/17/94/566501794.db2.gz XYKYUHJZAPKEQH-CVEARBPZSA-N 1 2 385.291 3.112 10 30 GGEELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000449038485 566525386 /nfs/dbraw/zinc/52/53/86/566525386.db2.gz UYGTYFVVXLFCJE-STQMWFEESA-N 1 2 394.313 3.086 10 30 GGEELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000449038485 566525389 /nfs/dbraw/zinc/52/53/89/566525389.db2.gz UYGTYFVVXLFCJE-STQMWFEESA-N 1 2 394.313 3.086 10 30 GGEELO CC(C)(C#N)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000512793620 566557057 /nfs/dbraw/zinc/55/70/57/566557057.db2.gz VTMYUUIZLFEMJV-UHFFFAOYSA-N 1 2 383.323 3.413 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449474434 566568223 /nfs/dbraw/zinc/56/82/23/566568223.db2.gz RWXFBRPSLFPPJF-INIZCTEOSA-N 1 2 392.240 3.224 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449474434 566568226 /nfs/dbraw/zinc/56/82/26/566568226.db2.gz RWXFBRPSLFPPJF-INIZCTEOSA-N 1 2 392.240 3.224 10 30 GGEELO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000424928906 566588853 /nfs/dbraw/zinc/58/88/53/566588853.db2.gz AOEYGBMXFNILJH-RYQLBKOJSA-N 1 2 393.325 3.293 10 30 GGEELO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000561199862 566685087 /nfs/dbraw/zinc/68/50/87/566685087.db2.gz BZDMGIDIKICYRR-AWEZNQCLSA-N 1 2 386.297 3.302 10 30 GGEELO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468932288 566745287 /nfs/dbraw/zinc/74/52/87/566745287.db2.gz IUGUUXNVFRAPSG-GTNSWQLSSA-N 1 2 388.265 3.207 10 30 GGEELO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648915 566801190 /nfs/dbraw/zinc/80/11/90/566801190.db2.gz QSYHCAQNSGXRLO-NVXWUHKLSA-N 1 2 376.444 3.125 10 30 GGEELO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648915 566801195 /nfs/dbraw/zinc/80/11/95/566801195.db2.gz QSYHCAQNSGXRLO-NVXWUHKLSA-N 1 2 376.444 3.125 10 30 GGEELO N#Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ccn1 ZINC000611530673 566924900 /nfs/dbraw/zinc/92/49/00/566924900.db2.gz MYGVGKWOZDDTOG-LJQANCHMSA-N 1 2 396.292 3.098 10 30 GGEELO CCn1c(C[NH2+]Cc2nc(C#N)cs2)nc2cc(Br)ccc21 ZINC000584085545 567010505 /nfs/dbraw/zinc/01/05/05/567010505.db2.gz NXLHULMEBVHCDG-UHFFFAOYSA-N 1 2 376.283 3.437 10 30 GGEELO N#Cc1cccc(N2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)n1 ZINC000545506555 567058091 /nfs/dbraw/zinc/05/80/91/567058091.db2.gz MNDLADJQJUZZEB-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567077 567071348 /nfs/dbraw/zinc/07/13/48/567071348.db2.gz IJOJXBUIZPSYFE-SMDDNHRTSA-N 1 2 393.285 3.410 10 30 GGEELO Cc1cc(Br)c(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000453566438 567091279 /nfs/dbraw/zinc/09/12/79/567091279.db2.gz RVXIYMAMDMOCCO-UHFFFAOYSA-N 1 2 377.311 3.408 10 30 GGEELO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000587862104 567106251 /nfs/dbraw/zinc/10/62/51/567106251.db2.gz IADLAPPRYGGHPZ-LSDHHAIUSA-N 1 2 384.705 3.010 10 30 GGEELO COc1ccc(Br)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546259742 567119643 /nfs/dbraw/zinc/11/96/43/567119643.db2.gz IAUQUAZNIASIMG-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO Cc1c[nH+]c(C)nc1N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000566482095 567160513 /nfs/dbraw/zinc/16/05/13/567160513.db2.gz KAJGVETXIDMYTN-KRWDZBQOSA-N 1 2 386.297 3.243 10 30 GGEELO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc2c(cc1Br)OCCO2 ZINC000589309744 567175116 /nfs/dbraw/zinc/17/51/16/567175116.db2.gz GNSBCFHGMGVYMV-SECBINFHSA-N 1 2 380.267 3.399 10 30 GGEELO Cc1cn2cc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2[nH+]1 ZINC000432957514 567210096 /nfs/dbraw/zinc/21/00/96/567210096.db2.gz CAOQHSIPRODTHP-UHFFFAOYSA-N 1 2 391.250 3.078 10 30 GGEELO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000432980352 567212686 /nfs/dbraw/zinc/21/26/86/567212686.db2.gz UKGMNNWCNBKDMQ-VIFPVBQESA-N 1 2 394.660 3.053 10 30 GGEELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499419058 567246847 /nfs/dbraw/zinc/24/68/47/567246847.db2.gz ZALCQABJNHXFOC-INIZCTEOSA-N 1 2 383.249 3.488 10 30 GGEELO Cc1cc(Br)cn2cc(CCNC(=O)c3cscc3C#N)[nH+]c12 ZINC000499444743 567249327 /nfs/dbraw/zinc/24/93/27/567249327.db2.gz PAJGVWGLNFALAQ-UHFFFAOYSA-N 1 2 389.278 3.311 10 30 GGEELO Cc1cc(Br)cc2c1C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000526057938 567285880 /nfs/dbraw/zinc/28/58/80/567285880.db2.gz BMIIFKKNCMJAPF-CYBMUJFWSA-N 1 2 376.298 3.067 10 30 GGEELO Cc1cc(Br)cc2c1C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000526057938 567285888 /nfs/dbraw/zinc/28/58/88/567285888.db2.gz BMIIFKKNCMJAPF-CYBMUJFWSA-N 1 2 376.298 3.067 10 30 GGEELO N#CC1(CC(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)CC1 ZINC000591833131 567300825 /nfs/dbraw/zinc/30/08/25/567300825.db2.gz ITEJZEVONKAYOL-UHFFFAOYSA-N 1 2 387.281 3.368 10 30 GGEELO Cc1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(C)[nH+]1 ZINC000592773358 567362001 /nfs/dbraw/zinc/36/20/01/567362001.db2.gz SQFJYINJTCLYGS-UHFFFAOYSA-N 1 2 385.265 3.408 10 30 GGEELO N#Cc1cc(Br)ccc1CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000593029990 567379676 /nfs/dbraw/zinc/37/96/76/567379676.db2.gz YUMXXRIHPONFAZ-UHFFFAOYSA-N 1 2 399.292 3.043 10 30 GGEELO C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000593523958 567421272 /nfs/dbraw/zinc/42/12/72/567421272.db2.gz ZENOGYZZRWKICN-GUYCJALGSA-N 1 2 387.281 3.169 10 30 GGEELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568076 567425613 /nfs/dbraw/zinc/42/56/13/567425613.db2.gz UVWCUXNXGFPKEI-BBRMVZONSA-N 1 2 399.900 3.136 10 30 GGEELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568076 567425619 /nfs/dbraw/zinc/42/56/19/567425619.db2.gz UVWCUXNXGFPKEI-BBRMVZONSA-N 1 2 399.900 3.136 10 30 GGEELO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000594582096 567488133 /nfs/dbraw/zinc/48/81/33/567488133.db2.gz JCCMJVXQWBDRMD-UHFFFAOYSA-N 1 2 384.914 3.311 10 30 GGEELO Cc1nocc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000595406474 567562082 /nfs/dbraw/zinc/56/20/82/567562082.db2.gz JQEBQTIILFWWOP-KRWDZBQOSA-N 1 2 375.270 3.128 10 30 GGEELO Cn1cc([C@H]([NH2+]Cc2ccc(Br)cc2C#N)C2(CO)CCC2)cn1 ZINC000595491222 567568293 /nfs/dbraw/zinc/56/82/93/567568293.db2.gz CADLBSDLCFSFKN-KRWDZBQOSA-N 1 2 389.297 3.048 10 30 GGEELO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000595887889 567590374 /nfs/dbraw/zinc/59/03/74/567590374.db2.gz VSQUCUMOAOLFBN-ZDUSSCGKSA-N 1 2 375.778 3.193 10 30 GGEELO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000595887889 567590378 /nfs/dbraw/zinc/59/03/78/567590378.db2.gz VSQUCUMOAOLFBN-ZDUSSCGKSA-N 1 2 375.778 3.193 10 30 GGEELO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366128 567596687 /nfs/dbraw/zinc/59/66/87/567596687.db2.gz NUKWTFAADGLQRV-HWPZZCPQSA-N 1 2 376.229 3.337 10 30 GGEELO COc1cc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)ccc1C#N ZINC000440632417 567635923 /nfs/dbraw/zinc/63/59/23/567635923.db2.gz CFYNESUDPBGCFB-UHFFFAOYSA-N 1 2 398.264 3.404 10 30 GGEELO COc1cc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)ccc1C#N ZINC000440632417 567635927 /nfs/dbraw/zinc/63/59/27/567635927.db2.gz CFYNESUDPBGCFB-UHFFFAOYSA-N 1 2 398.264 3.404 10 30 GGEELO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000459662684 567648897 /nfs/dbraw/zinc/64/88/97/567648897.db2.gz UYOIOAWUIRRKDL-GFCCVEGCSA-N 1 2 391.269 3.416 10 30 GGEELO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000459662684 567648900 /nfs/dbraw/zinc/64/89/00/567648900.db2.gz UYOIOAWUIRRKDL-GFCCVEGCSA-N 1 2 391.269 3.416 10 30 GGEELO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CC(CC#N)C1 ZINC000597203249 567688677 /nfs/dbraw/zinc/68/86/77/567688677.db2.gz IUDSTHUBJSTKFO-UHFFFAOYSA-N 1 2 381.270 3.045 10 30 GGEELO N#Cc1c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cn2ccccc12 ZINC000532694056 567728913 /nfs/dbraw/zinc/72/89/13/567728913.db2.gz NZNAPFUZZHFDLL-UHFFFAOYSA-N 1 2 396.292 3.291 10 30 GGEELO C[C@]1(C#N)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598412833 567763311 /nfs/dbraw/zinc/76/33/11/567763311.db2.gz WMLHOUPSVUAHCH-SJLPKXTDSA-N 1 2 376.298 3.348 10 30 GGEELO C[C@@]1(C#N)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598412831 567763740 /nfs/dbraw/zinc/76/37/40/567763740.db2.gz WMLHOUPSVUAHCH-AEFFLSMTSA-N 1 2 376.298 3.348 10 30 GGEELO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000555259105 567776516 /nfs/dbraw/zinc/77/65/16/567776516.db2.gz SFCAHZREYULHMZ-UHFFFAOYSA-N 1 2 390.329 3.247 10 30 GGEELO C[C@@H](CC#N)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000598844764 567794363 /nfs/dbraw/zinc/79/43/63/567794363.db2.gz QLJCLPNHYSLEOY-ZDUSSCGKSA-N 1 2 376.258 3.014 10 30 GGEELO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598944916 567800027 /nfs/dbraw/zinc/80/00/27/567800027.db2.gz CUYHLACACSMBFO-UHFFFAOYSA-N 1 2 388.265 3.161 10 30 GGEELO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000598944916 567800031 /nfs/dbraw/zinc/80/00/31/567800031.db2.gz CUYHLACACSMBFO-UHFFFAOYSA-N 1 2 388.265 3.161 10 30 GGEELO Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)cc1 ZINC000046134569 570212428 /nfs/dbraw/zinc/21/24/28/570212428.db2.gz ZBBSVEORTFIWHZ-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)cc1 ZINC000046133823 570212477 /nfs/dbraw/zinc/21/24/77/570212477.db2.gz DXPWNTXFTVWVNG-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)s1 ZINC000216415136 570263015 /nfs/dbraw/zinc/26/30/15/570263015.db2.gz CWHWOOYJWKTOLR-UHFFFAOYSA-N 1 2 378.501 3.214 10 30 GGEELO CC(C)(O)C#Cc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)s1 ZINC000216415136 570263017 /nfs/dbraw/zinc/26/30/17/570263017.db2.gz CWHWOOYJWKTOLR-UHFFFAOYSA-N 1 2 378.501 3.214 10 30 GGEELO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023437942 570323562 /nfs/dbraw/zinc/32/35/62/570323562.db2.gz YUHLIFPIFTVKGU-MRXNPFEDSA-N 1 2 383.879 3.323 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000012530442 570833820 /nfs/dbraw/zinc/83/38/20/570833820.db2.gz MNFIRMTUGWKVEW-UHFFFAOYSA-N 1 2 389.434 3.045 10 30 GGEELO COC(=O)c1sc(N2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nc1Cl ZINC000170596346 570854732 /nfs/dbraw/zinc/85/47/32/570854732.db2.gz PYVOSDJSPHOBFM-GFCCVEGCSA-N 1 2 390.896 3.165 10 30 GGEELO COC(=O)c1sc(N2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)nc1Cl ZINC000170596346 570854735 /nfs/dbraw/zinc/85/47/35/570854735.db2.gz PYVOSDJSPHOBFM-GFCCVEGCSA-N 1 2 390.896 3.165 10 30 GGEELO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccsc1)C2 ZINC000097096583 570891854 /nfs/dbraw/zinc/89/18/54/570891854.db2.gz IVQPTZZZMKMWHY-FQEVSTJZSA-N 1 2 384.505 3.305 10 30 GGEELO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC ZINC000012698753 570965243 /nfs/dbraw/zinc/96/52/43/570965243.db2.gz GVTKOTBRZRLTOG-AWEZNQCLSA-N 1 2 383.448 3.043 10 30 GGEELO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC ZINC000012698753 570965248 /nfs/dbraw/zinc/96/52/48/570965248.db2.gz GVTKOTBRZRLTOG-AWEZNQCLSA-N 1 2 383.448 3.043 10 30 GGEELO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000046551559 1404475265 /nfs/dbraw/zinc/47/52/65/1404475265.db2.gz AFCIBDVYTUAUQM-HXUWFJFHSA-N 1 2 380.879 3.139 10 30 GGEELO N#Cc1ccc(/C=C\C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000096822812 1410336578 /nfs/dbraw/zinc/33/65/78/1410336578.db2.gz UICLIXROMNUMEA-YHYXMXQVSA-N 1 2 395.890 3.448 10 30 GGEELO C=CCn1c(=S)n(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1-c1ccncc1 ZINC000121218572 1414047351 /nfs/dbraw/zinc/04/73/51/1414047351.db2.gz BAFSKJPAAVGLAU-GOSISDBHSA-N 1 2 394.504 3.168 10 30 GGEELO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000268211283 1434502270 /nfs/dbraw/zinc/50/22/70/1434502270.db2.gz ALJRAOSKEYDOEE-IUODEOHRSA-N 1 2 398.410 3.045 10 30 GGEELO CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000002664374 206428564 /nfs/dbraw/zinc/42/85/64/206428564.db2.gz YBBDFCGLBSZGTH-BEFAXECRSA-N 1 2 394.589 3.237 10 30 GGEELO C[NH+]1CCN(C2=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000020060320 207175499 /nfs/dbraw/zinc/17/54/99/207175499.db2.gz UDYMJIGKFASWKS-UHFFFAOYSA-N 1 2 381.863 3.290 10 30 GGEELO CCOCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2C1 ZINC000097117183 208337858 /nfs/dbraw/zinc/33/78/58/208337858.db2.gz FUEAOYIQJOXRCP-UHFFFAOYSA-N 1 2 385.489 3.101 10 30 GGEELO CCOCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2C1 ZINC000097117183 208337865 /nfs/dbraw/zinc/33/78/65/208337865.db2.gz FUEAOYIQJOXRCP-UHFFFAOYSA-N 1 2 385.489 3.101 10 30 GGEELO N#CCc1cc2ccccc2nc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000089873036 136175781 /nfs/dbraw/zinc/17/57/81/136175781.db2.gz SGHMPFYOBAHMAN-UHFFFAOYSA-N 1 2 382.471 3.271 10 30 GGEELO C=CCOc1ccc(-c2nc(C(=O)N3CC[NH+](CC=C)CC3)cs2)cc1OC ZINC000034717286 519007716 /nfs/dbraw/zinc/00/77/16/519007716.db2.gz GSHXYZQBTVIGLI-UHFFFAOYSA-N 1 2 399.516 3.327 10 30 GGEELO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccn2)CC1 ZINC000034906479 519267475 /nfs/dbraw/zinc/26/74/75/519267475.db2.gz DFSHNDWXDLJUKA-UHFFFAOYSA-N 1 2 389.503 3.193 10 30 GGEELO N#CCC(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033576778 526442261 /nfs/dbraw/zinc/44/22/61/526442261.db2.gz XSLLHMNBZOIEEC-DAXSKMNVSA-N 1 2 388.471 3.010 10 30 GGEELO N#CCCn1cc(/C=C\C(=O)N2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000057291357 526466969 /nfs/dbraw/zinc/46/69/69/526466969.db2.gz BXUPWEMNVKADSN-SREVYHEPSA-N 1 2 399.498 3.308 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000120677400 564332238 /nfs/dbraw/zinc/33/22/38/564332238.db2.gz SOHIIYUOFOPEFT-UHFFFAOYSA-N 1 2 399.329 3.369 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000120677400 564332239 /nfs/dbraw/zinc/33/22/39/564332239.db2.gz SOHIIYUOFOPEFT-UHFFFAOYSA-N 1 2 399.329 3.369 10 30 GGEELO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000128164282 564609563 /nfs/dbraw/zinc/60/95/63/564609563.db2.gz PWZXPJBNBGJJMC-UHFFFAOYSA-N 1 2 393.306 3.226 10 30 GGEELO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000128164282 564609564 /nfs/dbraw/zinc/60/95/64/564609564.db2.gz PWZXPJBNBGJJMC-UHFFFAOYSA-N 1 2 393.306 3.226 10 30 GGEELO N#CCCCCS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000068879189 564828285 /nfs/dbraw/zinc/82/82/85/564828285.db2.gz HYKIIMBOJRZPNO-MRXNPFEDSA-N 1 2 387.908 3.229 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cnccn2)cc1OC ZINC000092591279 564879232 /nfs/dbraw/zinc/87/92/32/564879232.db2.gz QBFQBJQGSUSLSU-UHFFFAOYSA-N 1 2 378.270 3.445 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cnccn2)cc1OC ZINC000092591279 564879235 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565189357 /nfs/dbraw/zinc/18/93/57/565189357.db2.gz DFHNKONYMFQQSB-LMKMVOKYSA-N 1 2 382.595 3.274 10 30 GGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185239666 565189376 /nfs/dbraw/zinc/18/93/76/565189376.db2.gz DFHNKONYMFQQSB-IVCQMTBJSA-N 1 2 382.595 3.274 10 30 GGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185239666 565189381 /nfs/dbraw/zinc/18/93/81/565189381.db2.gz DFHNKONYMFQQSB-IVCQMTBJSA-N 1 2 382.595 3.274 10 30 GGEELO COc1c(Br)cccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000186861390 565291658 /nfs/dbraw/zinc/29/16/58/565291658.db2.gz SVTVWYJFAGXJQS-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373972405 565314024 /nfs/dbraw/zinc/31/40/24/565314024.db2.gz NAZIEHGMVCVBIZ-LBTNJELSSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373972405 565314030 /nfs/dbraw/zinc/31/40/30/565314030.db2.gz NAZIEHGMVCVBIZ-LBTNJELSSA-N 1 2 379.298 3.479 10 30 GGEELO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000374615267 565347548 /nfs/dbraw/zinc/34/75/48/565347548.db2.gz XOSZOJBPRBMQSR-CYBMUJFWSA-N 1 2 395.326 3.303 10 30 GGEELO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000374615267 565347555 /nfs/dbraw/zinc/34/75/55/565347555.db2.gz XOSZOJBPRBMQSR-CYBMUJFWSA-N 1 2 395.326 3.303 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Br)c1 ZINC000189697105 565483769 /nfs/dbraw/zinc/48/37/69/565483769.db2.gz BWEJECBURVCDLC-UHFFFAOYSA-N 1 2 386.297 3.243 10 30 GGEELO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743030 565485674 /nfs/dbraw/zinc/48/56/74/565485674.db2.gz VWZBLZJLPZKVEV-GWCFXTLKSA-N 1 2 375.284 3.287 10 30 GGEELO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743030 565485680 /nfs/dbraw/zinc/48/56/80/565485680.db2.gz VWZBLZJLPZKVEV-GWCFXTLKSA-N 1 2 375.284 3.287 10 30 GGEELO Cc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nc1C#N ZINC000302736590 565552746 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GGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000191780699 565631984 /nfs/dbraw/zinc/63/19/84/565631984.db2.gz VEEMAJOEGNWDLW-SFHVURJKSA-N 1 2 384.277 3.384 10 30 GGEELO N#Cc1ccc(Br)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000191780699 565631988 /nfs/dbraw/zinc/63/19/88/565631988.db2.gz VEEMAJOEGNWDLW-SFHVURJKSA-N 1 2 384.277 3.384 10 30 GGEELO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000191840620 565636714 /nfs/dbraw/zinc/63/67/14/565636714.db2.gz KKKZRJFBSMWVID-UHFFFAOYSA-N 1 2 386.297 3.243 10 30 GGEELO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000192244068 565674325 /nfs/dbraw/zinc/67/43/25/565674325.db2.gz PKQZTAKJSCVJBS-UHFFFAOYSA-N 1 2 380.901 3.071 10 30 GGEELO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2I)C1=O ZINC000410370548 565679308 /nfs/dbraw/zinc/67/93/08/565679308.db2.gz HRXLXMDVXBLOSS-HZPDHXFCSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2I)C1=O ZINC000410370548 565679311 /nfs/dbraw/zinc/67/93/11/565679311.db2.gz HRXLXMDVXBLOSS-HZPDHXFCSA-N 1 2 396.272 3.215 10 30 GGEELO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331339866 565755646 /nfs/dbraw/zinc/75/56/46/565755646.db2.gz RXYCLFLISWJTMJ-JKSUJKDBSA-N 1 2 387.908 3.084 10 30 GGEELO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331339866 565755648 /nfs/dbraw/zinc/75/56/48/565755648.db2.gz RXYCLFLISWJTMJ-JKSUJKDBSA-N 1 2 387.908 3.084 10 30 GGEELO N#Cc1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)ccc1F ZINC000176811020 565804650 /nfs/dbraw/zinc/80/46/50/565804650.db2.gz HMGUXMMXUBQOTQ-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624563 565998363 /nfs/dbraw/zinc/99/83/63/565998363.db2.gz XYNCXIGRNWOOGH-IAGOWNOFSA-N 1 2 387.908 3.228 10 30 GGEELO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624563 565998366 /nfs/dbraw/zinc/99/83/66/565998366.db2.gz XYNCXIGRNWOOGH-IAGOWNOFSA-N 1 2 387.908 3.228 10 30 GGEELO N#Cc1cc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c[nH]1 ZINC000181373301 566137180 /nfs/dbraw/zinc/13/71/80/566137180.db2.gz QHVYWYGKYVVWCR-UHFFFAOYSA-N 1 2 377.275 3.194 10 30 GGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000366420241 566151710 /nfs/dbraw/zinc/15/17/10/566151710.db2.gz CNHIREKROVJGFN-HNNXBMFYSA-N 1 2 385.327 3.110 10 30 GGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000366420241 566151715 /nfs/dbraw/zinc/15/17/15/566151715.db2.gz CNHIREKROVJGFN-HNNXBMFYSA-N 1 2 385.327 3.110 10 30 GGEELO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365225 566257530 /nfs/dbraw/zinc/25/75/30/566257530.db2.gz VQPUHZGCTCUNBL-CYBMUJFWSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365225 566257536 /nfs/dbraw/zinc/25/75/36/566257536.db2.gz VQPUHZGCTCUNBL-CYBMUJFWSA-N 1 2 397.288 3.018 10 30 GGEELO COc1c(Br)cccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000482526000 566314365 /nfs/dbraw/zinc/31/43/65/566314365.db2.gz GBPSSBAMORIKBV-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO CC(C)(C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600146795 566318276 /nfs/dbraw/zinc/31/82/76/566318276.db2.gz ZMBOSKUXLXZBDL-UHFFFAOYSA-N 1 2 386.323 3.344 10 30 GGEELO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600153283 566319961 /nfs/dbraw/zinc/31/99/61/566319961.db2.gz XYCNNOAQLGFXGA-MRXNPFEDSA-N 1 2 386.323 3.486 10 30 GGEELO Cn1cc[nH+]c1CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000557575460 566398417 /nfs/dbraw/zinc/39/84/17/566398417.db2.gz GSCFBQFNFYSIJY-UHFFFAOYSA-N 1 2 394.704 3.030 10 30 GGEELO N#CC1(C[C@H](O)C[NH+]2CC(Oc3cccc(Cl)c3Cl)C2)CCOCC1 ZINC000601957201 566434831 /nfs/dbraw/zinc/43/48/31/566434831.db2.gz FMEBRYPHWMZZAQ-ZDUSSCGKSA-N 1 2 385.291 3.128 10 30 GGEELO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Br)cc1 ZINC000484867112 566461561 /nfs/dbraw/zinc/46/15/61/566461561.db2.gz XDTNWSBFCHNMOO-MRXNPFEDSA-N 1 2 382.221 3.024 10 30 GGEELO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118474 566493380 /nfs/dbraw/zinc/49/33/80/566493380.db2.gz NXNNAYORKMZWPM-IRXDYDNUSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118474 566493388 /nfs/dbraw/zinc/49/33/88/566493388.db2.gz NXNNAYORKMZWPM-IRXDYDNUSA-N 1 2 375.881 3.075 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccsc3Br)CC2)cc1 ZINC000449039123 566525668 /nfs/dbraw/zinc/52/56/68/566525668.db2.gz BBGNAFTWEXTYSZ-UHFFFAOYSA-N 1 2 390.306 3.340 10 30 GGEELO CC[N@H+](CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000603957629 566547260 /nfs/dbraw/zinc/54/72/60/566547260.db2.gz YLQMAHFZNYOCLR-UHFFFAOYSA-N 1 2 377.897 3.407 10 30 GGEELO CC[N@@H+](CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000603957629 566547269 /nfs/dbraw/zinc/54/72/69/566547269.db2.gz YLQMAHFZNYOCLR-UHFFFAOYSA-N 1 2 377.897 3.407 10 30 GGEELO C=C(C)COc1cc(C[NH2+]Cc2nn(C)cc2Br)ccc1OC ZINC000449482560 566568065 /nfs/dbraw/zinc/56/80/65/566568065.db2.gz CCSXSFYEKYVRSI-UHFFFAOYSA-N 1 2 380.286 3.436 10 30 GGEELO Cn1cc(Br)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000449487914 566570282 /nfs/dbraw/zinc/57/02/82/566570282.db2.gz ZNRYKCIVSFBDKW-UHFFFAOYSA-N 1 2 399.296 3.250 10 30 GGEELO N#CCN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000513127373 566580955 /nfs/dbraw/zinc/58/09/55/566580955.db2.gz HDHZYDUKIMPWFR-UHFFFAOYSA-N 1 2 377.311 3.214 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)o1 ZINC000467548855 566653935 /nfs/dbraw/zinc/65/39/35/566653935.db2.gz RNZSIVZLOYELGM-UHFFFAOYSA-N 1 2 378.245 3.371 10 30 GGEELO N#Cc1ccc2[nH+]cc(CN3CCOc4ccc(Br)cc4C3)n2c1 ZINC000514660869 566660323 /nfs/dbraw/zinc/66/03/23/566660323.db2.gz GFTYTUTYWONCAD-UHFFFAOYSA-N 1 2 383.249 3.363 10 30 GGEELO N#Cc1ccc2ncc(C[N@H+](CCO)Cc3cc(Br)cs3)n2c1 ZINC000426381603 566708796 /nfs/dbraw/zinc/70/87/96/566708796.db2.gz NXMHCYRQPMNILS-UHFFFAOYSA-N 1 2 391.294 3.024 10 30 GGEELO N#Cc1ccc2ncc(C[N@@H+](CCO)Cc3cc(Br)cs3)n2c1 ZINC000426381603 566708804 /nfs/dbraw/zinc/70/88/04/566708804.db2.gz NXMHCYRQPMNILS-UHFFFAOYSA-N 1 2 391.294 3.024 10 30 GGEELO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000516312405 566758623 /nfs/dbraw/zinc/75/86/23/566758623.db2.gz FDLIZPZSDOLUQS-CYBMUJFWSA-N 1 2 386.297 3.181 10 30 GGEELO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490067205 566829544 /nfs/dbraw/zinc/82/95/44/566829544.db2.gz XCJABSAWWSOVTF-JTQLQIEISA-N 1 2 389.424 3.158 10 30 GGEELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1Cl ZINC000611567008 566927285 /nfs/dbraw/zinc/92/72/85/566927285.db2.gz HDEPPRHLDAZTLL-UHFFFAOYSA-N 1 2 375.759 3.157 10 30 GGEELO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)sc2C1 ZINC000544080162 566935982 /nfs/dbraw/zinc/93/59/82/566935982.db2.gz MBBXOGHMVOOOSG-UHFFFAOYSA-N 1 2 396.925 3.235 10 30 GGEELO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)sc2C1 ZINC000544080162 566935991 /nfs/dbraw/zinc/93/59/91/566935991.db2.gz MBBXOGHMVOOOSG-UHFFFAOYSA-N 1 2 396.925 3.235 10 30 GGEELO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000565341879 567059365 /nfs/dbraw/zinc/05/93/65/567059365.db2.gz CONHJANOEFDMEY-GFCCVEGCSA-N 1 2 375.270 3.002 10 30 GGEELO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000565341879 567059368 /nfs/dbraw/zinc/05/93/68/567059368.db2.gz CONHJANOEFDMEY-GFCCVEGCSA-N 1 2 375.270 3.002 10 30 GGEELO N#Cc1cc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000586774843 567095764 /nfs/dbraw/zinc/09/57/64/567095764.db2.gz NVWPPKUISXCZIV-UHFFFAOYSA-N 1 2 386.253 3.208 10 30 GGEELO N#Cc1ccc(N2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)nc1 ZINC000497484039 567101960 /nfs/dbraw/zinc/10/19/60/567101960.db2.gz AKFCZWUTWKOVPK-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO Cc1nc(N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)cc[nH+]1 ZINC000588017390 567107844 /nfs/dbraw/zinc/10/78/44/567107844.db2.gz WMJXPPNDRJIFRD-UHFFFAOYSA-N 1 2 392.688 3.399 10 30 GGEELO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1Br ZINC000546966792 567175498 /nfs/dbraw/zinc/17/54/98/567175498.db2.gz DHFNSSDOUDGMRS-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO N#Cc1cnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000524233535 567188972 /nfs/dbraw/zinc/18/89/72/567188972.db2.gz HCGUIFZJTOTOLM-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ncc(Br)cn1 ZINC000433005968 567215496 /nfs/dbraw/zinc/21/54/96/567215496.db2.gz DZYHRFAFKZBWKG-SECBINFHSA-N 1 2 394.660 3.053 10 30 GGEELO Cc1nn(C)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1Br ZINC000475422716 567247380 /nfs/dbraw/zinc/24/73/80/567247380.db2.gz KJPHRTPJNPVNPI-UHFFFAOYSA-N 1 2 389.297 3.406 10 30 GGEELO COC(=O)C[C@@](C)([NH2+]Cc1ccncc1C#N)c1ccc(Br)cc1 ZINC000592123293 567316376 /nfs/dbraw/zinc/31/63/76/567316376.db2.gz SHUCGYRFJRCAPG-GOSISDBHSA-N 1 2 388.265 3.284 10 30 GGEELO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000593167021 567392257 /nfs/dbraw/zinc/39/22/57/567392257.db2.gz XOAHAFFOGNPHQJ-INIZCTEOSA-N 1 2 387.281 3.206 10 30 GGEELO C=CCOCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618525914 567397069 /nfs/dbraw/zinc/39/70/69/567397069.db2.gz JLPXFJAFHZYEPG-QGZVFWFLSA-N 1 2 381.314 3.295 10 30 GGEELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593278794 567401821 /nfs/dbraw/zinc/40/18/21/567401821.db2.gz ZWDDOOBOKRFQEL-UHFFFAOYSA-N 1 2 394.294 3.176 10 30 GGEELO N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000593396674 567410351 /nfs/dbraw/zinc/41/03/51/567410351.db2.gz IJIVYQNOZDEISS-UHFFFAOYSA-N 1 2 399.292 3.175 10 30 GGEELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568079 567425088 /nfs/dbraw/zinc/42/50/88/567425088.db2.gz UVWCUXNXGFPKEI-XJKSGUPXSA-N 1 2 399.900 3.136 10 30 GGEELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568079 567425092 /nfs/dbraw/zinc/42/50/92/567425092.db2.gz UVWCUXNXGFPKEI-XJKSGUPXSA-N 1 2 399.900 3.136 10 30 GGEELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568078 567425691 /nfs/dbraw/zinc/42/56/91/567425691.db2.gz UVWCUXNXGFPKEI-CZUORRHYSA-N 1 2 399.900 3.136 10 30 GGEELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568078 567425695 /nfs/dbraw/zinc/42/56/95/567425695.db2.gz UVWCUXNXGFPKEI-CZUORRHYSA-N 1 2 399.900 3.136 10 30 GGEELO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264204 567472183 /nfs/dbraw/zinc/47/21/83/567472183.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264204 567472186 /nfs/dbraw/zinc/47/21/86/567472186.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264204 567472191 /nfs/dbraw/zinc/47/21/91/567472191.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264204 567472197 /nfs/dbraw/zinc/47/21/97/567472197.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 1 2 398.264 3.245 10 30 GGEELO Cn1cc(I)c(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594509972 567483683 /nfs/dbraw/zinc/48/36/83/567483683.db2.gz ZKUJGWYDKFCEKA-UHFFFAOYSA-N 1 2 394.260 3.116 10 30 GGEELO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1Cl ZINC000595887888 567589529 /nfs/dbraw/zinc/58/95/29/567589529.db2.gz VSQUCUMOAOLFBN-CYBMUJFWSA-N 1 2 375.778 3.193 10 30 GGEELO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CC(F)(F)F)C2)cc1Cl ZINC000595887888 567589535 /nfs/dbraw/zinc/58/95/35/567589535.db2.gz VSQUCUMOAOLFBN-CYBMUJFWSA-N 1 2 375.778 3.193 10 30 GGEELO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366131 567596932 /nfs/dbraw/zinc/59/69/32/567596932.db2.gz NUKWTFAADGLQRV-QLJPJBMISA-N 1 2 376.229 3.337 10 30 GGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000459355934 567617077 /nfs/dbraw/zinc/61/70/77/567617077.db2.gz YXYZEWIPCOBMOL-UHFFFAOYSA-N 1 2 390.241 3.263 10 30 GGEELO N#Cc1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000599183101 567809432 /nfs/dbraw/zinc/80/94/32/567809432.db2.gz GTMKDNQFYKASPD-INIZCTEOSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000599183101 567809434 /nfs/dbraw/zinc/80/94/34/567809434.db2.gz GTMKDNQFYKASPD-INIZCTEOSA-N 1 2 387.281 3.029 10 30 GGEELO Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)cc1 ZINC000046133990 570212423 /nfs/dbraw/zinc/21/24/23/570212423.db2.gz PBEHYBJIDQXTMO-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO Cc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)c1 ZINC000046134619 570212628 /nfs/dbraw/zinc/21/26/28/570212628.db2.gz BPWRPLCYOSQLQT-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCC[NH+]1CCOCC1 ZINC000046134441 570212663 /nfs/dbraw/zinc/21/26/63/570212663.db2.gz BHPJZSREEODJNI-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO CCc1ccc(NC(=NC(=O)c2cccc(C)c2)NCC[NH+]2CCOCC2)cc1 ZINC000046140740 570213030 /nfs/dbraw/zinc/21/30/30/570213030.db2.gz MOAYOKPKULTENG-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO C=CC[NH+](CC=C)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023762966 570300879 /nfs/dbraw/zinc/30/08/79/570300879.db2.gz MVQWOHJIFBBGFN-UHFFFAOYSA-N 1 2 389.499 3.394 10 30 GGEELO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000065260155 570762357 /nfs/dbraw/zinc/76/23/57/570762357.db2.gz BZGIGTACOLLRPA-IBGZPJMESA-N 1 2 376.526 3.048 10 30 GGEELO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccsc1)C2 ZINC000097096581 570892094 /nfs/dbraw/zinc/89/20/94/570892094.db2.gz IVQPTZZZMKMWHY-HXUWFJFHSA-N 1 2 384.505 3.305 10 30 GGEELO N#CCCN(CC[NH+]1CCOCC1)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000084559955 571023247 /nfs/dbraw/zinc/02/32/47/571023247.db2.gz CTTMNXJCUGXADW-UHFFFAOYSA-N 1 2 387.487 3.349 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cccc4cccnc34)CC2)cc1 ZINC000012774697 1399058128 /nfs/dbraw/zinc/05/81/28/1399058128.db2.gz KEPMPKWHXCNBJD-ZHACJKMWSA-N 1 2 382.467 3.464 10 30 GGEELO COc1nccc(Oc2ccc(C[NH+]3CCOCC3)c3cccnc23)c1C#N ZINC000067558931 1409162351 /nfs/dbraw/zinc/16/23/51/1409162351.db2.gz LGKRAEZADLUUJY-UHFFFAOYSA-N 1 2 376.416 3.135 10 30 GGEELO COc1cc(C[NH+]2CCN(CCC#N)CC2)cc(OC)c1OCc1ccccc1 ZINC000100156395 1410437291 /nfs/dbraw/zinc/43/72/91/1410437291.db2.gz YWDIPLPSYXPABV-UHFFFAOYSA-N 1 2 395.503 3.314 10 30 GGEELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccccc3OCC#N)CCCC2)no1 ZINC000119182171 1413368383 /nfs/dbraw/zinc/36/83/83/1413368383.db2.gz AHOXIQBDQHCKQF-UHFFFAOYSA-N 1 2 397.479 3.013 10 30 GGEELO C[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000126002345 1415333778 /nfs/dbraw/zinc/33/37/78/1415333778.db2.gz CMJOACQXCBLWIK-AZUAARDMSA-N 1 2 393.491 3.020 10 30 GGEELO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000129790516 1416264312 /nfs/dbraw/zinc/26/43/12/1416264312.db2.gz BSFADKFSILHACL-SWLSCSKDSA-N 1 2 375.379 3.471 10 30 GGEELO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000151242821 1417902084 /nfs/dbraw/zinc/90/20/84/1417902084.db2.gz ALJRAOSKEYDOEE-DOMZBBRYSA-N 1 2 398.410 3.045 10 30 GGEELO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151270439 1417909547 /nfs/dbraw/zinc/90/95/47/1417909547.db2.gz AQICDFWDDPYFDA-WFASDCNBSA-N 1 2 398.410 3.045 10 30 GGEELO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000174211281 1427053547 /nfs/dbraw/zinc/05/35/47/1427053547.db2.gz FOSDHCVWGXQCHH-OAHLLOKOSA-N 1 2 385.468 3.135 10 30 GGEELO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000174211281 1427053549 /nfs/dbraw/zinc/05/35/49/1427053549.db2.gz FOSDHCVWGXQCHH-OAHLLOKOSA-N 1 2 385.468 3.135 10 30 GGEELO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182665807 1430512976 /nfs/dbraw/zinc/51/29/76/1430512976.db2.gz GZVCQQVHUWWBGR-QGZVFWFLSA-N 1 2 393.487 3.397 10 30 GGEELO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000182665807 1430512980 /nfs/dbraw/zinc/51/29/80/1430512980.db2.gz GZVCQQVHUWWBGR-QGZVFWFLSA-N 1 2 393.487 3.397 10 30 GGEELO CC(=NNC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000254738678 1433871856 /nfs/dbraw/zinc/87/18/56/1433871856.db2.gz GQHFMUKGYFUPSL-UHFFFAOYSA-N 1 2 380.433 3.491 10 30 GGEELO O[C@@]1(c2ccccc2)CSC(=Nc2cccnc2)N1CCCn1cc[nH+]c1 ZINC000254740696 1433871889 /nfs/dbraw/zinc/87/18/89/1433871889.db2.gz FYXSUWLYOGAVBF-HXUWFJFHSA-N 1 2 379.489 3.250 10 30 GGEELO O[C@@]1(c2ccccc2F)CSC(=Nc2cccnc2)N1CCCn1cc[nH+]c1 ZINC000254756744 1433871914 /nfs/dbraw/zinc/87/19/14/1433871914.db2.gz FDVGSKSEGWLXPE-HXUWFJFHSA-N 1 2 397.479 3.389 10 30 GGEELO C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000012895001 210024601 /nfs/dbraw/zinc/02/46/01/210024601.db2.gz XMCOLAOEIFXOTM-HNNXBMFYSA-N 1 2 390.915 3.284 10 30 GGEELO C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000012895001 210024598 /nfs/dbraw/zinc/02/45/98/210024598.db2.gz XMCOLAOEIFXOTM-HNNXBMFYSA-N 1 2 390.915 3.284 10 30 GGEELO C[C@H](C(=O)N(C)C1(C#N)CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000012894994 210024396 /nfs/dbraw/zinc/02/43/96/210024396.db2.gz XMCOLAOEIFXOTM-OAHLLOKOSA-N 1 2 390.915 3.284 10 30 GGEELO C[C@H](C(=O)N(C)C1(C#N)CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000012894994 210024402 /nfs/dbraw/zinc/02/44/02/210024402.db2.gz XMCOLAOEIFXOTM-OAHLLOKOSA-N 1 2 390.915 3.284 10 30 GGEELO CCOc1ccc(NC2=C(N3CC[NH+](C)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004178728 209469189 /nfs/dbraw/zinc/46/91/89/209469189.db2.gz XZOCIGSXXWFYMD-UHFFFAOYSA-N 1 2 391.471 3.035 10 30 GGEELO C#CC[N@@H+](CC(=O)Nc1sccc1C(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000032935651 209181245 /nfs/dbraw/zinc/18/12/45/209181245.db2.gz HUCDVLLIWHQKRS-GOSISDBHSA-N 1 2 382.485 3.486 10 30 GGEELO C#CC[N@H+](CC(=O)Nc1sccc1C(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000032935651 209181249 /nfs/dbraw/zinc/18/12/49/209181249.db2.gz HUCDVLLIWHQKRS-GOSISDBHSA-N 1 2 382.485 3.486 10 30 GGEELO C=CCOc1ccc(C[N@@H+](C)Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc1 ZINC000021921610 209176855 /nfs/dbraw/zinc/17/68/55/209176855.db2.gz KAWHCZMXNQGBBF-UHFFFAOYSA-N 1 2 393.443 3.319 10 30 GGEELO C=CCOc1ccc(C[N@H+](C)Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc1 ZINC000021921610 209176862 /nfs/dbraw/zinc/17/68/62/209176862.db2.gz KAWHCZMXNQGBBF-UHFFFAOYSA-N 1 2 393.443 3.319 10 30 GGEELO COc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccc(C#N)cc3)CC2)cc1F ZINC000096861323 211348768 /nfs/dbraw/zinc/34/87/68/211348768.db2.gz NYJQANDPLUEURR-CLFYSBASSA-N 1 2 379.435 3.064 10 30 GGEELO Cc1c(C(=O)Oc2cccc3ccccc32)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824977 210794971 /nfs/dbraw/zinc/79/49/71/210794971.db2.gz SLYLTRNQSXXHJZ-BUVRLJJBSA-N 1 2 376.416 3.484 10 30 GGEELO C[C@@H](C(=O)Nc1sccc1C#N)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009051858 221069510 /nfs/dbraw/zinc/06/95/10/221069510.db2.gz HIUSNBONLAMGDR-HNNXBMFYSA-N 1 2 388.537 3.061 10 30 GGEELO C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159594 518726343 /nfs/dbraw/zinc/72/63/43/518726343.db2.gz NVYNYLMYSJALGJ-AWEZNQCLSA-N 1 2 399.516 3.396 10 30 GGEELO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159594 518726345 /nfs/dbraw/zinc/72/63/45/518726345.db2.gz NVYNYLMYSJALGJ-AWEZNQCLSA-N 1 2 399.516 3.396 10 30 GGEELO C=CC[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@H](O)COCC(C)C ZINC000036313208 518801997 /nfs/dbraw/zinc/80/19/97/518801997.db2.gz NYHSRYPEOQNFJV-HNNXBMFYSA-N 1 2 393.553 3.130 10 30 GGEELO C=CC[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@H](O)COCC(C)C ZINC000036313208 518802006 /nfs/dbraw/zinc/80/20/06/518802006.db2.gz NYHSRYPEOQNFJV-HNNXBMFYSA-N 1 2 393.553 3.130 10 30 GGEELO C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2)C2CCCC2)CC1 ZINC000036311043 518904917 /nfs/dbraw/zinc/90/49/17/518904917.db2.gz OJWZCJYEVYUJQJ-HXUWFJFHSA-N 1 2 384.524 3.006 10 30 GGEELO C=CCOc1ccc(C=CC(=O)N=C(N)Nc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000006651103 519011534 /nfs/dbraw/zinc/01/15/34/519011534.db2.gz OKGLOVLDKKZDCO-PKNBQFBNSA-N 1 2 391.431 3.103 10 30 GGEELO COc1ccc(/C=C2/Oc3c(c(C)cc(O)c3C[NH+](C)C)C2=O)c(OC)c1OC ZINC000037857479 523412095 /nfs/dbraw/zinc/41/20/95/523412095.db2.gz MVRATUUEXSAMRO-LICLKQGHSA-N 1 2 399.443 3.404 10 30 GGEELO COc1ccc(N2CC[NH+](CC(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1 ZINC000057270856 524422667 /nfs/dbraw/zinc/42/26/67/524422667.db2.gz JDLADCYDOXDVNN-UHFFFAOYSA-N 1 2 392.503 3.073 10 30 GGEELO NC(=[NH+]OC(NC(=O)c1ccco1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000020032544 526805093 /nfs/dbraw/zinc/80/50/93/526805093.db2.gz ANHIDZRISTWPKA-UHFFFAOYSA-N 1 2 395.259 3.167 10 30 GGEELO O=C(/C=C/c1cn(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc12)c1ccccc1 ZINC000019901314 527646073 /nfs/dbraw/zinc/64/60/73/527646073.db2.gz YRRRNKDXKFWBFE-ZJVMWOEPSA-N 1 2 390.483 3.231 10 30 GGEELO N#Cc1ccnc(N2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)c1 ZINC000029445564 564371067 /nfs/dbraw/zinc/37/10/67/564371067.db2.gz ZNEDLVBOIMEBGW-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO N#Cc1ccc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000124457227 564482988 /nfs/dbraw/zinc/48/29/88/564482988.db2.gz YFPDOCQWCJBLEX-UHFFFAOYSA-N 1 2 377.275 3.194 10 30 GGEELO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000128480060 564620300 /nfs/dbraw/zinc/62/03/00/564620300.db2.gz GMMGUZZMXHEQBW-UHFFFAOYSA-N 1 2 399.335 3.288 10 30 GGEELO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000128480060 564620303 /nfs/dbraw/zinc/62/03/03/564620303.db2.gz GMMGUZZMXHEQBW-UHFFFAOYSA-N 1 2 399.335 3.288 10 30 GGEELO Cc1nc2c(s1)[C@H]([N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000156903599 565110453 /nfs/dbraw/zinc/11/04/53/565110453.db2.gz JBAUVSPADHEMTQ-QGZVFWFLSA-N 1 2 375.519 3.106 10 30 GGEELO Cc1nc2c(s1)[C@H]([N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000156903599 565110461 /nfs/dbraw/zinc/11/04/61/565110461.db2.gz JBAUVSPADHEMTQ-QGZVFWFLSA-N 1 2 375.519 3.106 10 30 GGEELO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000184470056 565137305 /nfs/dbraw/zinc/13/73/05/565137305.db2.gz ICFVLYAGPPRQTL-CYBMUJFWSA-N 1 2 377.535 3.437 10 30 GGEELO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1Cl ZINC000171246273 565421828 /nfs/dbraw/zinc/42/18/28/565421828.db2.gz DRLIJPODSIPRRL-UHFFFAOYSA-N 1 2 375.885 3.408 10 30 GGEELO N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1Cl ZINC000171246273 565421837 /nfs/dbraw/zinc/42/18/37/565421837.db2.gz DRLIJPODSIPRRL-UHFFFAOYSA-N 1 2 375.885 3.408 10 30 GGEELO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000376510760 565439466 /nfs/dbraw/zinc/43/94/66/565439466.db2.gz GWKQAVKZGCVUKP-UHFFFAOYSA-N 1 2 386.297 3.238 10 30 GGEELO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743079 565486178 /nfs/dbraw/zinc/48/61/78/565486178.db2.gz VWZBLZJLPZKVEV-ZWNOBZJWSA-N 1 2 375.284 3.287 10 30 GGEELO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743079 565486182 /nfs/dbraw/zinc/48/61/82/565486182.db2.gz VWZBLZJLPZKVEV-ZWNOBZJWSA-N 1 2 375.284 3.287 10 30 GGEELO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408046502 565591694 /nfs/dbraw/zinc/59/16/94/565591694.db2.gz WXAAAMLKGBSOEG-KBAYOESNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408046502 565591697 /nfs/dbraw/zinc/59/16/97/565591697.db2.gz WXAAAMLKGBSOEG-KBAYOESNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041652 565592245 /nfs/dbraw/zinc/59/22/45/565592245.db2.gz DIHUPWZFXZNMBT-CGTJXYLNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041652 565592250 /nfs/dbraw/zinc/59/22/50/565592250.db2.gz DIHUPWZFXZNMBT-CGTJXYLNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000408041663 565592406 /nfs/dbraw/zinc/59/24/06/565592406.db2.gz DIHUPWZFXZNMBT-JQHSSLGASA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000408041663 565592408 /nfs/dbraw/zinc/59/24/08/565592408.db2.gz DIHUPWZFXZNMBT-JQHSSLGASA-N 1 2 379.298 3.073 10 30 GGEELO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000321961076 565607641 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394.313 3.086 10 30 GGEELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487853426 566693509 /nfs/dbraw/zinc/69/35/09/566693509.db2.gz ILANHFRSLBHDOE-UHFFFAOYSA-N 1 2 376.258 3.495 10 30 GGEELO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1Cl ZINC000515731742 566730191 /nfs/dbraw/zinc/73/01/91/566730191.db2.gz PZFCOTNHFLHWGH-QGZVFWFLSA-N 1 2 398.315 3.446 10 30 GGEELO N#Cc1cccc(-c2nnc(C[NH2+][C@H](CO)c3cccc(Br)c3)o2)c1 ZINC000541983380 566765740 /nfs/dbraw/zinc/76/57/40/566765740.db2.gz JCXXYTGEVPAFSM-MRXNPFEDSA-N 1 2 399.248 3.194 10 30 GGEELO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)n1 ZINC000562200187 566770846 /nfs/dbraw/zinc/77/08/46/566770846.db2.gz PETJWTSTPJDPMP-UHFFFAOYSA-N 1 2 376.869 3.224 10 30 GGEELO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648912 566800985 /nfs/dbraw/zinc/80/09/85/566800985.db2.gz QSYHCAQNSGXRLO-DOTOQJQBSA-N 1 2 376.444 3.125 10 30 GGEELO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648912 566800989 /nfs/dbraw/zinc/80/09/89/566800989.db2.gz QSYHCAQNSGXRLO-DOTOQJQBSA-N 1 2 376.444 3.125 10 30 GGEELO COc1ccc(C#N)cc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494279279 566982471 /nfs/dbraw/zinc/98/24/71/566982471.db2.gz IYDSRBQNRYWZLM-UHFFFAOYSA-N 1 2 381.295 3.385 10 30 GGEELO COc1ccc(C#N)cc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494279279 566982476 /nfs/dbraw/zinc/98/24/76/566982476.db2.gz IYDSRBQNRYWZLM-UHFFFAOYSA-N 1 2 381.295 3.385 10 30 GGEELO COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430180344 566999509 /nfs/dbraw/zinc/99/95/09/566999509.db2.gz SIHQGDLJGOXOGS-MRXNPFEDSA-N 1 2 388.265 3.378 10 30 GGEELO COc1cc(Br)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430180344 566999514 /nfs/dbraw/zinc/99/95/14/566999514.db2.gz SIHQGDLJGOXOGS-MRXNPFEDSA-N 1 2 388.265 3.378 10 30 GGEELO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000565341883 567058482 /nfs/dbraw/zinc/05/84/82/567058482.db2.gz CONHJANOEFDMEY-LBPRGKRZSA-N 1 2 375.270 3.002 10 30 GGEELO 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ZINC000526057939 567286535 /nfs/dbraw/zinc/28/65/35/567286535.db2.gz BMIIFKKNCMJAPF-ZDUSSCGKSA-N 1 2 376.298 3.067 10 30 GGEELO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000567988714 567295082 /nfs/dbraw/zinc/29/50/82/567295082.db2.gz MUCMCMHQZKXFDQ-UHFFFAOYSA-N 1 2 396.266 3.285 10 30 GGEELO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000567988714 567295088 /nfs/dbraw/zinc/29/50/88/567295088.db2.gz MUCMCMHQZKXFDQ-UHFFFAOYSA-N 1 2 396.266 3.285 10 30 GGEELO Cc1cc(Br)cc2c1C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592504639 567342389 /nfs/dbraw/zinc/34/23/89/567342389.db2.gz AXSNHWUPBIDUFH-UHFFFAOYSA-N 1 2 382.265 3.230 10 30 GGEELO Cc1cc(Br)cc2c1C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592504639 567342397 /nfs/dbraw/zinc/34/23/97/567342397.db2.gz AXSNHWUPBIDUFH-UHFFFAOYSA-N 1 2 382.265 3.230 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(CC)n2)cc1OCC ZINC000527733125 567370211 /nfs/dbraw/zinc/37/02/11/567370211.db2.gz HOFHYZCHNJLWOA-UHFFFAOYSA-N 1 2 395.301 3.314 10 30 GGEELO N#Cc1ccncc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000569062259 567377223 /nfs/dbraw/zinc/37/72/23/567377223.db2.gz DPGJAHPCWLGXSM-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO N#Cc1cc(Br)ccc1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593019128 567378382 /nfs/dbraw/zinc/37/83/82/567378382.db2.gz ONZPHRVIWNINHD-UHFFFAOYSA-N 1 2 399.292 3.175 10 30 GGEELO N#Cc1cccc2c1C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125232 567388478 /nfs/dbraw/zinc/38/84/78/567388478.db2.gz BXYDDBQQVXQMHD-SFHVURJKSA-N 1 2 382.261 3.442 10 30 GGEELO N#Cc1cccc2c1C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125232 567388484 /nfs/dbraw/zinc/38/84/84/567388484.db2.gz BXYDDBQQVXQMHD-SFHVURJKSA-N 1 2 382.261 3.442 10 30 GGEELO CN(C)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH+]cc1Br ZINC000456671625 567400393 /nfs/dbraw/zinc/40/03/93/567400393.db2.gz OYOPCIKCXPQHMU-UHFFFAOYSA-N 1 2 385.265 3.452 10 30 GGEELO C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000593523954 567420686 /nfs/dbraw/zinc/42/06/86/567420686.db2.gz ZENOGYZZRWKICN-CXAGYDPISA-N 1 2 387.281 3.169 10 30 GGEELO C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000593523956 567421018 /nfs/dbraw/zinc/42/10/18/567421018.db2.gz ZENOGYZZRWKICN-DYVFJYSZSA-N 1 2 387.281 3.169 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528637714 567444539 /nfs/dbraw/zinc/44/45/39/567444539.db2.gz FRIGPWRVNFOSDQ-QGZVFWFLSA-N 1 2 379.298 3.074 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528637714 567444546 /nfs/dbraw/zinc/44/45/46/567444546.db2.gz FRIGPWRVNFOSDQ-QGZVFWFLSA-N 1 2 379.298 3.074 10 30 GGEELO N#Cc1cccnc1N1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000619510076 567459996 /nfs/dbraw/zinc/45/99/96/567459996.db2.gz KQNDDAZIIDYMNL-UHFFFAOYSA-N 1 2 377.275 3.461 10 30 GGEELO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(Br)cccc21 ZINC000619651106 567470964 /nfs/dbraw/zinc/47/09/64/567470964.db2.gz XUWFGTYDGBJWHY-LBPRGKRZSA-N 1 2 375.270 3.002 10 30 GGEELO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000619651186 567471485 /nfs/dbraw/zinc/47/14/85/567471485.db2.gz VUOKLKUEOAHDSP-LBPRGKRZSA-N 1 2 375.270 3.002 10 30 GGEELO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000619651186 567471491 /nfs/dbraw/zinc/47/14/91/567471491.db2.gz VUOKLKUEOAHDSP-LBPRGKRZSA-N 1 2 375.270 3.002 10 30 GGEELO Cc1nocc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000595406475 567562226 /nfs/dbraw/zinc/56/22/26/567562226.db2.gz JQEBQTIILFWWOP-QGZVFWFLSA-N 1 2 375.270 3.128 10 30 GGEELO N#CCCOCC[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000595851173 567586608 /nfs/dbraw/zinc/58/66/08/567586608.db2.gz OWBFJTOVRFTCPR-UHFFFAOYSA-N 1 2 388.103 3.500 10 30 GGEELO N#CCCOCC[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000595851173 567586612 /nfs/dbraw/zinc/58/66/12/567586612.db2.gz OWBFJTOVRFTCPR-UHFFFAOYSA-N 1 2 388.103 3.500 10 30 GGEELO Cc1ccc2c(c1Br)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000595878404 567587908 /nfs/dbraw/zinc/58/79/08/567587908.db2.gz NWQGUBOZLKCCIS-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/64/12/96/567641296.db2.gz QHQFOJAYAQQAPX-UHFFFAOYSA-N 1 2 398.264 3.039 10 30 GGEELO C=CCOc1ccc(Br)cc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459658480 567647425 /nfs/dbraw/zinc/64/74/25/567647425.db2.gz KMYCRSQBQROANS-UHFFFAOYSA-N 1 2 379.258 3.112 10 30 GGEELO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(Br)cc4)CC3)n2c1 ZINC000597204020 567688736 /nfs/dbraw/zinc/68/87/36/567688736.db2.gz ZNUKKBQLGBUCRB-UHFFFAOYSA-N 1 2 396.292 3.291 10 30 GGEELO C[C@@H](CC#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000597617954 567708650 /nfs/dbraw/zinc/70/86/50/567708650.db2.gz YCYJDXBPFOPCHV-AWEZNQCLSA-N 1 2 375.270 3.224 10 30 GGEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000533024175 567746907 /nfs/dbraw/zinc/74/69/07/567746907.db2.gz VLPUMMKCGMBIPQ-IBGZPJMESA-N 1 2 396.288 3.484 10 30 GGEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000533024175 567746910 /nfs/dbraw/zinc/74/69/10/567746910.db2.gz VLPUMMKCGMBIPQ-IBGZPJMESA-N 1 2 396.288 3.484 10 30 GGEELO C[C@]1(C#N)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598412832 567763344 /nfs/dbraw/zinc/76/33/44/567763344.db2.gz WMLHOUPSVUAHCH-FUHWJXTLSA-N 1 2 376.298 3.348 10 30 GGEELO N#Cc1cnc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c(Cl)c1 ZINC000443555758 567767131 /nfs/dbraw/zinc/76/71/31/567767131.db2.gz CYONGNYVOQPCAH-UHFFFAOYSA-N 1 2 375.259 3.048 10 30 GGEELO N#Cc1cnc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c(Cl)c1 ZINC000443555758 567767133 /nfs/dbraw/zinc/76/71/33/567767133.db2.gz CYONGNYVOQPCAH-UHFFFAOYSA-N 1 2 375.259 3.048 10 30 GGEELO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000574815514 567799065 /nfs/dbraw/zinc/79/90/65/567799065.db2.gz YPIQITSNEOFQQE-UHFFFAOYSA-N 1 2 396.266 3.285 10 30 GGEELO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000574815514 567799069 /nfs/dbraw/zinc/79/90/69/567799069.db2.gz YPIQITSNEOFQQE-UHFFFAOYSA-N 1 2 396.266 3.285 10 30 GGEELO N#Cc1cc(Br)ccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183712 567809513 /nfs/dbraw/zinc/80/95/13/567809513.db2.gz RHXNLZWZXHEUFK-KRWDZBQOSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1cc(Br)ccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183712 567809514 /nfs/dbraw/zinc/80/95/14/567809514.db2.gz RHXNLZWZXHEUFK-KRWDZBQOSA-N 1 2 387.281 3.029 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1OCC ZINC000668597317 567814384 /nfs/dbraw/zinc/81/43/84/567814384.db2.gz ATQBFXGRGXWSFW-KBXCAEBGSA-N 1 2 382.298 3.369 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1OCC ZINC000668597317 567814385 /nfs/dbraw/zinc/81/43/85/567814385.db2.gz ATQBFXGRGXWSFW-KBXCAEBGSA-N 1 2 382.298 3.369 10 30 GGEELO Cc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cn1 ZINC000097111658 570897011 /nfs/dbraw/zinc/89/70/11/570897011.db2.gz SJDYRRILMOCZCF-HSZRJFAPSA-N 1 2 391.519 3.387 10 30 GGEELO COc1cccc(NC(NC(=O)c2cccc(F)c2)=[NH+]Cc2ccncc2)c1 ZINC000045939901 571001281 /nfs/dbraw/zinc/00/12/81/571001281.db2.gz SPDZXPKFOUKUGC-UHFFFAOYSA-N 1 2 378.407 3.437 10 30 GGEELO N#CCCn1cc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000007737735 1398737505 /nfs/dbraw/zinc/73/75/05/1398737505.db2.gz PSKUWSKDTGZFLO-MDZDMXLPSA-N 1 2 385.471 3.312 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@@H+](C)Cc2cccs2)c1C#N ZINC000008533501 1398837571 /nfs/dbraw/zinc/83/75/71/1398837571.db2.gz BYWIFSWJORCMJB-INIZCTEOSA-N 1 2 386.521 3.288 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+](C)Cc2cccs2)c1C#N ZINC000008533501 1398837572 /nfs/dbraw/zinc/83/75/72/1398837572.db2.gz BYWIFSWJORCMJB-INIZCTEOSA-N 1 2 386.521 3.288 10 30 GGEELO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@@H+](C)Cc2cccs2)c1C#N ZINC000008533502 1398837664 /nfs/dbraw/zinc/83/76/64/1398837664.db2.gz BYWIFSWJORCMJB-MRXNPFEDSA-N 1 2 386.521 3.288 10 30 GGEELO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+](C)Cc2cccs2)c1C#N ZINC000008533502 1398837665 /nfs/dbraw/zinc/83/76/65/1398837665.db2.gz BYWIFSWJORCMJB-MRXNPFEDSA-N 1 2 386.521 3.288 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3cccc4cccnc34)CC2)cc1 ZINC000096973325 1410342280 /nfs/dbraw/zinc/34/22/80/1410342280.db2.gz KEPMPKWHXCNBJD-KHPPLWFESA-N 1 2 382.467 3.464 10 30 GGEELO C[C@@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000126001703 1415334023 /nfs/dbraw/zinc/33/40/23/1415334023.db2.gz CMJOACQXCBLWIK-QUCCMNQESA-N 1 2 393.491 3.020 10 30 GGEELO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129790083 1416264102 /nfs/dbraw/zinc/26/41/02/1416264102.db2.gz BSFADKFSILHACL-WFASDCNBSA-N 1 2 375.379 3.471 10 30 GGEELO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156850142 1423875344 /nfs/dbraw/zinc/87/53/44/1423875344.db2.gz ARHAHBPQTGMQDB-YLJYHZDGSA-N 1 2 380.448 3.125 10 30 GGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182665781 1430512894 /nfs/dbraw/zinc/51/28/94/1430512894.db2.gz GZVCQQVHUWWBGR-KRWDZBQOSA-N 1 2 393.487 3.397 10 30 GGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000182665781 1430512900 /nfs/dbraw/zinc/51/29/00/1430512900.db2.gz GZVCQQVHUWWBGR-KRWDZBQOSA-N 1 2 393.487 3.397 10 30 GGEELO Cc1cc(C)cc(NC2=C(N3CC[NH+](C)CC3)C(=O)c3ccccc3C2=O)c1 ZINC000004173662 220690156 /nfs/dbraw/zinc/69/01/56/220690156.db2.gz UMHUVDIXLQSVDB-UHFFFAOYSA-N 1 2 375.472 3.254 10 30 GGEELO Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000008746591 221055172 /nfs/dbraw/zinc/05/51/72/221055172.db2.gz NOCBRCDTUFVFGW-IBGZPJMESA-N 1 2 391.500 3.302 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C#N ZINC000009593331 221086711 /nfs/dbraw/zinc/08/67/11/221086711.db2.gz JZNYQWAUAPPNCP-KRWDZBQOSA-N 1 2 386.521 3.288 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C#N ZINC000009593331 221086714 /nfs/dbraw/zinc/08/67/14/221086714.db2.gz JZNYQWAUAPPNCP-KRWDZBQOSA-N 1 2 386.521 3.288 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)cc1 ZINC000012568912 221208922 /nfs/dbraw/zinc/20/89/22/221208922.db2.gz CWOYXSYFVOMPSC-UHFFFAOYSA-N 1 2 391.540 3.483 10 30 GGEELO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC ZINC000012698757 221218464 /nfs/dbraw/zinc/21/84/64/221218464.db2.gz GVTKOTBRZRLTOG-CQSZACIVSA-N 1 2 383.448 3.043 10 30 GGEELO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC ZINC000012698757 221218465 /nfs/dbraw/zinc/21/84/65/221218465.db2.gz GVTKOTBRZRLTOG-CQSZACIVSA-N 1 2 383.448 3.043 10 30 GGEELO Cc1ccc2c([nH]c3c(c2=O)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC3)c1C ZINC000065034927 222095838 /nfs/dbraw/zinc/09/58/38/222095838.db2.gz BSRYHFQEWAUDBM-UHFFFAOYSA-N 1 2 386.455 3.013 10 30 GGEELO Cc1ccc2c([nH]c3c(c2=O)C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC3)c1C ZINC000065034927 222095842 /nfs/dbraw/zinc/09/58/42/222095842.db2.gz BSRYHFQEWAUDBM-UHFFFAOYSA-N 1 2 386.455 3.013 10 30 GGEELO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C#N)cc2)CCC[N@@H+](C)C1 ZINC000085393399 222323569 /nfs/dbraw/zinc/32/35/69/222323569.db2.gz PMVNDCKYQDFAJK-UHFFFAOYSA-N 1 2 379.485 3.436 10 30 GGEELO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C#N)cc2)CCC[N@H+](C)C1 ZINC000085393399 222323571 /nfs/dbraw/zinc/32/35/71/222323571.db2.gz PMVNDCKYQDFAJK-UHFFFAOYSA-N 1 2 379.485 3.436 10 30 GGEELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000089340159 222328035 /nfs/dbraw/zinc/32/80/35/222328035.db2.gz FNRONSXLMRCDSA-QGZVFWFLSA-N 1 2 388.468 3.296 10 30 GGEELO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006541 222371429 /nfs/dbraw/zinc/37/14/29/222371429.db2.gz AOXODUKPSCHDKW-MSOLQXFVSA-N 1 2 377.460 3.201 10 30 GGEELO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006541 222371433 /nfs/dbraw/zinc/37/14/33/222371433.db2.gz AOXODUKPSCHDKW-MSOLQXFVSA-N 1 2 377.460 3.201 10 30 GGEELO C#CC[N@@H+](CC(=O)Nc1sccc1C(=O)OCC)[C@H]1CCc2ccccc21 ZINC000032935652 518259054 /nfs/dbraw/zinc/25/90/54/518259054.db2.gz HUCDVLLIWHQKRS-SFHVURJKSA-N 1 2 382.485 3.486 10 30 GGEELO C#CC[N@H+](CC(=O)Nc1sccc1C(=O)OCC)[C@H]1CCc2ccccc21 ZINC000032935652 518259059 /nfs/dbraw/zinc/25/90/59/518259059.db2.gz HUCDVLLIWHQKRS-SFHVURJKSA-N 1 2 382.485 3.486 10 30 GGEELO N#CCC(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000025763767 526442373 /nfs/dbraw/zinc/44/23/73/526442373.db2.gz XSLLHMNBZOIEEC-QPJJXVBHSA-N 1 2 388.471 3.010 10 30 GGEELO COc1cccc(N2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C)c1 ZINC000089939396 537123441 /nfs/dbraw/zinc/12/34/41/537123441.db2.gz BCLYIGOAKOEHMA-HNNXBMFYSA-N 1 2 398.894 3.369 10 30 GGEELO COc1cccc(N2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C)c1 ZINC000089939396 537123445 /nfs/dbraw/zinc/12/34/45/537123445.db2.gz BCLYIGOAKOEHMA-HNNXBMFYSA-N 1 2 398.894 3.369 10 30 GGEELO CCc1[nH+]c(SCC(=O)NCCC#N)nc(N)c1-c1ccc(Cl)cc1 ZINC000012741130 564270727 /nfs/dbraw/zinc/27/07/27/564270727.db2.gz JWOUMVPACQZXNI-UHFFFAOYSA-N 1 2 375.885 3.064 10 30 GGEELO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CO)c3cccc(Br)c3)o2)cc1 ZINC000183908982 565103014 /nfs/dbraw/zinc/10/30/14/565103014.db2.gz ARRMTNQLAXNYOU-MRXNPFEDSA-N 1 2 399.248 3.194 10 30 GGEELO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000184470037 565136608 /nfs/dbraw/zinc/13/66/08/565136608.db2.gz ICFVLYAGPPRQTL-ZDUSSCGKSA-N 1 2 377.535 3.437 10 30 GGEELO C=CC[N@@H+](CCCCS(C)(=O)=O)Cc1cc(Br)ccc1F ZINC000162024157 565301434 /nfs/dbraw/zinc/30/14/34/565301434.db2.gz DEYPNHZGGNJUDT-UHFFFAOYSA-N 1 2 378.307 3.401 10 30 GGEELO C=CC[N@H+](CCCCS(C)(=O)=O)Cc1cc(Br)ccc1F ZINC000162024157 565301438 /nfs/dbraw/zinc/30/14/38/565301438.db2.gz DEYPNHZGGNJUDT-UHFFFAOYSA-N 1 2 378.307 3.401 10 30 GGEELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](C)O2 ZINC000373972409 565314132 /nfs/dbraw/zinc/31/41/32/565314132.db2.gz NAZIEHGMVCVBIZ-QWQRMKEZSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](C)O2 ZINC000373972409 565314136 /nfs/dbraw/zinc/31/41/36/565314136.db2.gz NAZIEHGMVCVBIZ-QWQRMKEZSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374028611 565316545 /nfs/dbraw/zinc/31/65/45/565316545.db2.gz RENHPZIWNXFTNU-LBTNJELSSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374028611 565316550 /nfs/dbraw/zinc/31/65/50/565316550.db2.gz RENHPZIWNXFTNU-LBTNJELSSA-N 1 2 379.298 3.479 10 30 GGEELO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000377566410 565486252 /nfs/dbraw/zinc/48/62/52/565486252.db2.gz WGXHRUBKBMXZDV-UHFFFAOYSA-N 1 2 390.285 3.017 10 30 GGEELO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408046499 565591728 /nfs/dbraw/zinc/59/17/28/565591728.db2.gz WXAAAMLKGBSOEG-CGTJXYLNSA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408046499 565591733 /nfs/dbraw/zinc/59/17/33/565591733.db2.gz WXAAAMLKGBSOEG-CGTJXYLNSA-N 1 2 379.298 3.073 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388775 565681981 /nfs/dbraw/zinc/68/19/81/565681981.db2.gz RZYCPFMMQUFTJG-CVEARBPZSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388775 565681986 /nfs/dbraw/zinc/68/19/86/565681986.db2.gz RZYCPFMMQUFTJG-CVEARBPZSA-N 1 2 396.272 3.215 10 30 GGEELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000331718631 565778795 /nfs/dbraw/zinc/77/87/95/565778795.db2.gz HWYGOEFKMMNDRV-ZDUSSCGKSA-N 1 2 387.281 3.149 10 30 GGEELO CCn1cc[nH+]c1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437502 566140771 /nfs/dbraw/zinc/14/07/71/566140771.db2.gz ZDPQKWFSHNTEBN-KRWDZBQOSA-N 1 2 388.313 3.048 10 30 GGEELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000366420242 566151862 /nfs/dbraw/zinc/15/18/62/566151862.db2.gz CNHIREKROVJGFN-OAHLLOKOSA-N 1 2 385.327 3.110 10 30 GGEELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000366420242 566151867 /nfs/dbraw/zinc/15/18/67/566151867.db2.gz CNHIREKROVJGFN-OAHLLOKOSA-N 1 2 385.327 3.110 10 30 GGEELO COc1cc(Br)ccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000182074851 566181121 /nfs/dbraw/zinc/18/11/21/566181121.db2.gz JVENDBCOTMPALG-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO N#Cc1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1Br ZINC000368574555 566242003 /nfs/dbraw/zinc/24/20/03/566242003.db2.gz KLFYAVNBGLWKLD-UHFFFAOYSA-N 1 2 397.236 3.223 10 30 GGEELO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599636037 566282079 /nfs/dbraw/zinc/28/20/79/566282079.db2.gz LTEANIYITUUVBZ-INIZCTEOSA-N 1 2 376.298 3.457 10 30 GGEELO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599636037 566282085 /nfs/dbraw/zinc/28/20/85/566282085.db2.gz LTEANIYITUUVBZ-INIZCTEOSA-N 1 2 376.298 3.457 10 30 GGEELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@H]21 ZINC000599644378 566283032 /nfs/dbraw/zinc/28/30/32/566283032.db2.gz AIPLDPIDXFQREO-BBWFWOEESA-N 1 2 377.282 3.484 10 30 GGEELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@H]21 ZINC000599644378 566283040 /nfs/dbraw/zinc/28/30/40/566283040.db2.gz AIPLDPIDXFQREO-BBWFWOEESA-N 1 2 377.282 3.484 10 30 GGEELO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445898265 566317556 /nfs/dbraw/zinc/31/75/56/566317556.db2.gz QLXNCUVAMLOMDW-MRXNPFEDSA-N 1 2 379.298 3.405 10 30 GGEELO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445898265 566317561 /nfs/dbraw/zinc/31/75/61/566317561.db2.gz QLXNCUVAMLOMDW-MRXNPFEDSA-N 1 2 379.298 3.405 10 30 GGEELO Cc1cc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000600166602 566319991 /nfs/dbraw/zinc/31/99/91/566319991.db2.gz FUXWLULLBUUBRY-AWEZNQCLSA-N 1 2 388.103 3.371 10 30 GGEELO Cc1cc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000600166602 566319988 /nfs/dbraw/zinc/31/99/88/566319988.db2.gz FUXWLULLBUUBRY-AWEZNQCLSA-N 1 2 388.103 3.371 10 30 GGEELO N#Cc1cccc(N2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)n1 ZINC000509622486 566320734 /nfs/dbraw/zinc/32/07/34/566320734.db2.gz ORGNBBYBBPEFLH-UHFFFAOYSA-N 1 2 398.264 3.179 10 30 GGEELO N#Cc1ccc2ncc(C[N@H+](CCO)Cc3ccc(Br)s3)n2c1 ZINC000483493300 566386902 /nfs/dbraw/zinc/38/69/02/566386902.db2.gz WYAGVIPCMMMHEB-UHFFFAOYSA-N 1 2 391.294 3.024 10 30 GGEELO N#Cc1ccc2ncc(C[N@@H+](CCO)Cc3ccc(Br)s3)n2c1 ZINC000483493300 566386907 /nfs/dbraw/zinc/38/69/07/566386907.db2.gz WYAGVIPCMMMHEB-UHFFFAOYSA-N 1 2 391.294 3.024 10 30 GGEELO Cc1cc(Br)cn2cc(CCNC(=O)C3(C#N)CC4(CC4)C3)[nH+]c12 ZINC000601436620 566406865 /nfs/dbraw/zinc/40/68/65/566406865.db2.gz JEPWNFHSMLFXQU-UHFFFAOYSA-N 1 2 387.281 3.148 10 30 GGEELO C=CC[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000626583585 566426740 /nfs/dbraw/zinc/42/67/40/566426740.db2.gz OTIDWKUGFRQJSC-ZDUSSCGKSA-N 1 2 395.301 3.111 10 30 GGEELO Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577518117 566441958 /nfs/dbraw/zinc/44/19/58/566441958.db2.gz AQDSDUQQLHCUNJ-QGZVFWFLSA-N 1 2 378.270 3.386 10 30 GGEELO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118475 566493433 /nfs/dbraw/zinc/49/34/33/566493433.db2.gz NXNNAYORKMZWPM-SJORKVTESA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118475 566493438 /nfs/dbraw/zinc/49/34/38/566493438.db2.gz NXNNAYORKMZWPM-SJORKVTESA-N 1 2 375.881 3.075 10 30 GGEELO N#Cc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1F ZINC000538148264 566497430 /nfs/dbraw/zinc/49/74/30/566497430.db2.gz VIZALKNCIJEQNP-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000602947364 566502080 /nfs/dbraw/zinc/50/20/80/566502080.db2.gz XYKYUHJZAPKEQH-JKSUJKDBSA-N 1 2 385.291 3.112 10 30 GGEELO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)c3Br)CC2)n1 ZINC000449245140 566541495 /nfs/dbraw/zinc/54/14/95/566541495.db2.gz YSCZSSPKHVNHMJ-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000628455961 566555405 /nfs/dbraw/zinc/55/54/05/566555405.db2.gz CPXCTGNWVMEZCU-CABCVRRESA-N 1 2 385.913 3.065 10 30 GGEELO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000628455961 566555412 /nfs/dbraw/zinc/55/54/12/566555412.db2.gz CPXCTGNWVMEZCU-CABCVRRESA-N 1 2 385.913 3.065 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1OC ZINC000449405036 566558136 /nfs/dbraw/zinc/55/81/36/566558136.db2.gz HUAVDBWEKPGSCY-UHFFFAOYSA-N 1 2 393.285 3.308 10 30 GGEELO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000424928914 566588367 /nfs/dbraw/zinc/58/83/67/566588367.db2.gz AOEYGBMXFNILJH-SZMVWBNQSA-N 1 2 393.325 3.293 10 30 GGEELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000466961899 566610316 /nfs/dbraw/zinc/61/03/16/566610316.db2.gz QQFJCVLAEFHUFV-UHFFFAOYSA-N 1 2 394.294 3.183 10 30 GGEELO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1cccc(C#N)c1 ZINC000425399606 566638344 /nfs/dbraw/zinc/63/83/44/566638344.db2.gz PFFYBXOUTBJSIM-UHFFFAOYSA-N 1 2 375.519 3.058 10 30 GGEELO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1cccc(C#N)c1 ZINC000425399606 566638349 /nfs/dbraw/zinc/63/83/49/566638349.db2.gz PFFYBXOUTBJSIM-UHFFFAOYSA-N 1 2 375.519 3.058 10 30 GGEELO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000514100746 566643715 /nfs/dbraw/zinc/64/37/15/566643715.db2.gz XQZALBTVPPKLEU-UHFFFAOYSA-N 1 2 390.281 3.479 10 30 GGEELO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000514100746 566643724 /nfs/dbraw/zinc/64/37/24/566643724.db2.gz XQZALBTVPPKLEU-UHFFFAOYSA-N 1 2 390.281 3.479 10 30 GGEELO COc1cc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)ccc1C#N ZINC000579890214 566647988 /nfs/dbraw/zinc/64/79/88/566647988.db2.gz IKDTWGRUJWBMIS-UHFFFAOYSA-N 1 2 398.264 3.200 10 30 GGEELO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1cc(Cl)ccc1Cl ZINC000488186900 566712220 /nfs/dbraw/zinc/71/22/20/566712220.db2.gz UCBZNXVFGXBARY-ZDUSSCGKSA-N 1 2 376.291 3.408 10 30 GGEELO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1cc(Cl)ccc1Cl ZINC000488186900 566712226 /nfs/dbraw/zinc/71/22/26/566712226.db2.gz UCBZNXVFGXBARY-ZDUSSCGKSA-N 1 2 376.291 3.408 10 30 GGEELO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468932313 566745522 /nfs/dbraw/zinc/74/55/22/566745522.db2.gz IUGUUXNVFRAPSG-PIGZYNQJSA-N 1 2 388.265 3.207 10 30 GGEELO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490067206 566829227 /nfs/dbraw/zinc/82/92/27/566829227.db2.gz XCJABSAWWSOVTF-SNVBAGLBSA-N 1 2 389.424 3.158 10 30 GGEELO COc1ccc(Br)cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544877425 567004021 /nfs/dbraw/zinc/00/40/21/567004021.db2.gz OADLVSNXVAUMRA-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO Cc1cc(Br)cn2cc(CNC(=O)Cc3cccc(C#N)c3)[nH+]c12 ZINC000546112115 567105628 /nfs/dbraw/zinc/10/56/28/567105628.db2.gz OKIAJPXCUJJQQA-UHFFFAOYSA-N 1 2 383.249 3.136 10 30 GGEELO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616222609 567233865 /nfs/dbraw/zinc/23/38/65/567233865.db2.gz UYMYQNMYHPNLPX-NSHDSACASA-N 1 2 376.254 3.481 10 30 GGEELO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616222609 567233872 /nfs/dbraw/zinc/23/38/72/567233872.db2.gz UYMYQNMYHPNLPX-NSHDSACASA-N 1 2 376.254 3.481 10 30 GGEELO Cc1cc(Br)cn2cc(CNC(=O)c3cscc3C#N)[nH+]c12 ZINC000499640511 567261867 /nfs/dbraw/zinc/26/18/67/567261867.db2.gz JDELIKCPQKXAIW-UHFFFAOYSA-N 1 2 375.251 3.268 10 30 GGEELO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OCCC)C1=O ZINC000500004358 567290622 /nfs/dbraw/zinc/29/06/22/567290622.db2.gz YMTKTPAHXXFMFD-MRXNPFEDSA-N 1 2 381.314 3.457 10 30 GGEELO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2OCCC)C1=O ZINC000500004358 567290627 /nfs/dbraw/zinc/29/06/27/567290627.db2.gz YMTKTPAHXXFMFD-MRXNPFEDSA-N 1 2 381.314 3.457 10 30 GGEELO CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1C#N ZINC000500786425 567344162 /nfs/dbraw/zinc/34/41/62/567344162.db2.gz JZMDBJWINBWIJI-UHFFFAOYSA-N 1 2 376.869 3.348 10 30 GGEELO C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000593523959 567421358 /nfs/dbraw/zinc/42/13/58/567421358.db2.gz ZENOGYZZRWKICN-SUMWQHHRSA-N 1 2 387.281 3.169 10 30 GGEELO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000619651185 567471461 /nfs/dbraw/zinc/47/14/61/567471461.db2.gz VUOKLKUEOAHDSP-GFCCVEGCSA-N 1 2 375.270 3.002 10 30 GGEELO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000619651185 567471465 /nfs/dbraw/zinc/47/14/65/567471465.db2.gz VUOKLKUEOAHDSP-GFCCVEGCSA-N 1 2 375.270 3.002 10 30 GGEELO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)cc2C#N)C2(CO)CCC2)cn1 ZINC000595491224 567568328 /nfs/dbraw/zinc/56/83/28/567568328.db2.gz CADLBSDLCFSFKN-QGZVFWFLSA-N 1 2 389.297 3.048 10 30 GGEELO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366129 567596778 /nfs/dbraw/zinc/59/67/78/567596778.db2.gz NUKWTFAADGLQRV-MGPLVRAMSA-N 1 2 376.229 3.337 10 30 GGEELO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000533024176 567747315 /nfs/dbraw/zinc/74/73/15/567747315.db2.gz VLPUMMKCGMBIPQ-LJQANCHMSA-N 1 2 396.288 3.484 10 30 GGEELO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000533024176 567747318 /nfs/dbraw/zinc/74/73/18/567747318.db2.gz VLPUMMKCGMBIPQ-LJQANCHMSA-N 1 2 396.288 3.484 10 30 GGEELO C[C@H](CC#N)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000598844722 567794287 /nfs/dbraw/zinc/79/42/87/567794287.db2.gz QLJCLPNHYSLEOY-CYBMUJFWSA-N 1 2 376.258 3.014 10 30 GGEELO Cc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(C)c2)c1 ZINC000046133804 570212250 /nfs/dbraw/zinc/21/22/50/570212250.db2.gz BZUPFODVQIDQGC-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CCc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2)cc1 ZINC000046134195 570212419 /nfs/dbraw/zinc/21/24/19/570212419.db2.gz DQUFRLMKTXQOQY-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO CCc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2)cc1 ZINC000046134115 570212653 /nfs/dbraw/zinc/21/26/53/570212653.db2.gz KCPUGJOVTZQUNP-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO Cn1cc[nH+]c1CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 ZINC000054039438 570437619 /nfs/dbraw/zinc/43/76/19/570437619.db2.gz OSCODHQKVOSBAV-UHFFFAOYSA-N 1 2 376.416 3.269 10 30 GGEELO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000036384995 570657412 /nfs/dbraw/zinc/65/74/12/570657412.db2.gz KFWWLLWYTBNYIA-HXUWFJFHSA-N 1 2 392.503 3.152 10 30 GGEELO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000036384995 570657415 /nfs/dbraw/zinc/65/74/15/570657415.db2.gz KFWWLLWYTBNYIA-HXUWFJFHSA-N 1 2 392.503 3.152 10 30 GGEELO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275798038 570699845 /nfs/dbraw/zinc/69/98/45/570699845.db2.gz ZUTWELKAZBDZLH-GOSISDBHSA-N 1 2 376.460 3.155 10 30 GGEELO Cc1cc(C#N)ccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275798039 570700099 /nfs/dbraw/zinc/70/00/99/570700099.db2.gz ZUTWELKAZBDZLH-SFHVURJKSA-N 1 2 376.460 3.155 10 30 GGEELO CCOc1ccc([C@@H](CNc2ccccc2C#N)[NH+]2CCOCC2)cc1OC ZINC000032829304 570844229 /nfs/dbraw/zinc/84/42/29/570844229.db2.gz PKOKOZQPVFMHTH-HXUWFJFHSA-N 1 2 381.476 3.451 10 30 GGEELO CCOC(=O)c1cnn(-c2ncnc3sc4c(c32)CCCC4)c1[NH+]=CN(C)C ZINC000252591390 571000961 /nfs/dbraw/zinc/00/09/61/571000961.db2.gz BAYGAWLCUNRWHO-UHFFFAOYSA-N 1 2 398.492 3.154 10 30 GGEELO CCCCCCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000003046760 1398325558 /nfs/dbraw/zinc/32/55/58/1398325558.db2.gz XASVZJFWVYIUAE-HXUWFJFHSA-N 1 2 382.508 3.490 10 30 GGEELO N#Cc1ccc(/C=C/C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000023717499 1399580781 /nfs/dbraw/zinc/58/07/81/1399580781.db2.gz UICLIXROMNUMEA-BJMVGYQFSA-N 1 2 395.890 3.448 10 30 GGEELO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)oc1C ZINC000097060774 1410350011 /nfs/dbraw/zinc/35/00/11/1410350011.db2.gz BWXMLOJRHAUZMC-DBWCEAHUSA-N 1 2 389.496 3.126 10 30 GGEELO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)oc1C ZINC000097060774 1410350015 /nfs/dbraw/zinc/35/00/15/1410350015.db2.gz BWXMLOJRHAUZMC-DBWCEAHUSA-N 1 2 389.496 3.126 10 30 GGEELO C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000121188818 1414038978 /nfs/dbraw/zinc/03/89/78/1414038978.db2.gz FHSOJIVFMVNIPM-WSSFADSRSA-N 1 2 380.444 3.348 10 30 GGEELO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129789857 1416264080 /nfs/dbraw/zinc/26/40/80/1416264080.db2.gz BSFADKFSILHACL-DOMZBBRYSA-N 1 2 375.379 3.471 10 30 GGEELO C#CCOc1ccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000266133902 1434306016 /nfs/dbraw/zinc/30/60/16/1434306016.db2.gz DXVWIZDLVVLICQ-UHFFFAOYSA-N 1 2 382.508 3.483 10 30 GGEELO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000268211287 1434502229 /nfs/dbraw/zinc/50/22/29/1434502229.db2.gz ALJRAOSKEYDOEE-SWLSCSKDSA-N 1 2 398.410 3.045 10 30 GGEELO C/C(=N\NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000005656770 204145098 /nfs/dbraw/zinc/14/50/98/204145098.db2.gz GQHFMUKGYFUPSL-FYJGNVAPSA-N 1 2 380.433 3.491 10 30 GGEELO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310328 204270996 /nfs/dbraw/zinc/27/09/96/204270996.db2.gz OYSNSKXYSCJZND-LJQANCHMSA-N 1 2 377.444 3.495 10 30 GGEELO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310328 204271000 /nfs/dbraw/zinc/27/10/00/204271000.db2.gz OYSNSKXYSCJZND-LJQANCHMSA-N 1 2 377.444 3.495 10 30 GGEELO C#CC[NH+]1CCN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CC1 ZINC000095446513 518270793 /nfs/dbraw/zinc/27/07/93/518270793.db2.gz NYUDIANFXRLBGA-UHFFFAOYSA-N 1 2 393.487 3.065 10 30 GGEELO CC(NCCOc1ccc(F)cc1)=[NH+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004199433 518454118 /nfs/dbraw/zinc/45/41/18/518454118.db2.gz QESDWSUDVYEZQI-UHFFFAOYSA-N 1 2 377.332 3.056 10 30 GGEELO C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159599 518718036 /nfs/dbraw/zinc/71/80/36/518718036.db2.gz NVYNYLMYSJALGJ-CQSZACIVSA-N 1 2 399.516 3.396 10 30 GGEELO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159599 518718043 /nfs/dbraw/zinc/71/80/43/518718043.db2.gz NVYNYLMYSJALGJ-CQSZACIVSA-N 1 2 399.516 3.396 10 30 GGEELO CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000034138213 519329185 /nfs/dbraw/zinc/32/91/85/519329185.db2.gz OSIQZCAEJAENEG-TWGQIWQCSA-N 1 2 388.511 3.280 10 30 GGEELO O=C(/C=C/c1cn(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12)c1ccccc1 ZINC000019901316 527646663 /nfs/dbraw/zinc/64/66/63/527646663.db2.gz YRRRNKDXKFWBFE-RQWLHQTBSA-N 1 2 390.483 3.231 10 30 GGEELO COc1cccc(N2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C)c1 ZINC000089939395 537122519 /nfs/dbraw/zinc/12/25/19/537122519.db2.gz BCLYIGOAKOEHMA-OAHLLOKOSA-N 1 2 398.894 3.369 10 30 GGEELO COc1cccc(N2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C)c1 ZINC000089939395 537122525 /nfs/dbraw/zinc/12/25/25/537122525.db2.gz BCLYIGOAKOEHMA-OAHLLOKOSA-N 1 2 398.894 3.369 10 30 GGEELO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000126730310 564559676 /nfs/dbraw/zinc/55/96/76/564559676.db2.gz NLHMEFDOJBROED-JKSUJKDBSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000126730310 564559680 /nfs/dbraw/zinc/55/96/80/564559680.db2.gz NLHMEFDOJBROED-JKSUJKDBSA-N 1 2 375.881 3.075 10 30 GGEELO C=CCNc1ncc(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)s1 ZINC000129131347 564639054 /nfs/dbraw/zinc/63/90/54/564639054.db2.gz AHIHXRYLHNRMSW-UHFFFAOYSA-N 1 2 376.551 3.323 10 30 GGEELO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000058501933 564684129 /nfs/dbraw/zinc/68/41/29/564684129.db2.gz FFJIBDFJXJVEAU-UHFFFAOYSA-N 1 2 379.869 3.053 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153881731 565014912 /nfs/dbraw/zinc/01/49/12/565014912.db2.gz SAPWRZUQFBYLAM-HNNXBMFYSA-N 1 2 397.313 3.123 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153881731 565014915 /nfs/dbraw/zinc/01/49/15/565014915.db2.gz SAPWRZUQFBYLAM-HNNXBMFYSA-N 1 2 397.313 3.123 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153881621 565015018 /nfs/dbraw/zinc/01/50/18/565015018.db2.gz SAPWRZUQFBYLAM-OAHLLOKOSA-N 1 2 397.313 3.123 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153881621 565015021 /nfs/dbraw/zinc/01/50/21/565015021.db2.gz SAPWRZUQFBYLAM-OAHLLOKOSA-N 1 2 397.313 3.123 10 30 GGEELO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](CO)c3cccc(Br)c3)o2)cc1 ZINC000183908999 565102647 /nfs/dbraw/zinc/10/26/47/565102647.db2.gz ARRMTNQLAXNYOU-INIZCTEOSA-N 1 2 399.248 3.194 10 30 GGEELO CCc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156784594 565105122 /nfs/dbraw/zinc/10/51/22/565105122.db2.gz MVDCSPXPYAQIBX-CQSZACIVSA-N 1 2 377.535 3.352 10 30 GGEELO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156784594 565105127 /nfs/dbraw/zinc/10/51/27/565105127.db2.gz MVDCSPXPYAQIBX-CQSZACIVSA-N 1 2 377.535 3.352 10 30 GGEELO CCOC(=O)C1(COC)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000370110613 565127746 /nfs/dbraw/zinc/12/77/46/565127746.db2.gz GXENYZZZVGQQSV-UHFFFAOYSA-N 1 2 395.297 3.112 10 30 GGEELO CCn1c(Cn2c(C)c(Br)cc(C#N)c2=O)[nH+]c2cc(F)ccc21 ZINC000185929287 565230232 /nfs/dbraw/zinc/23/02/32/565230232.db2.gz RZVIMQWGKUXFAU-UHFFFAOYSA-N 1 2 389.228 3.348 10 30 GGEELO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000295383232 565262517 /nfs/dbraw/zinc/26/25/17/565262517.db2.gz KQYQGQBSQSCNHP-CYBMUJFWSA-N 1 2 394.313 3.088 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(CC)[nH]2)cc1OCC ZINC000295931885 565293634 /nfs/dbraw/zinc/29/36/34/565293634.db2.gz FRNGHVDVTPPKPB-UHFFFAOYSA-N 1 2 395.301 3.383 10 30 GGEELO N#Cc1cc(Br)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000393955538 565569979 /nfs/dbraw/zinc/56/99/79/565569979.db2.gz CIIHOATXCIXMHH-QGZVFWFLSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1cc(Br)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000393955538 565569983 /nfs/dbraw/zinc/56/99/83/565569983.db2.gz CIIHOATXCIXMHH-QGZVFWFLSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1ccc(Br)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408046500 565591856 /nfs/dbraw/zinc/59/18/56/565591856.db2.gz WXAAAMLKGBSOEG-JQHSSLGASA-N 1 2 379.298 3.073 10 30 GGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408046500 565591859 /nfs/dbraw/zinc/59/18/59/565591859.db2.gz WXAAAMLKGBSOEG-JQHSSLGASA-N 1 2 379.298 3.073 10 30 GGEELO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCc2cc(Br)ccc21 ZINC000329742286 565678003 /nfs/dbraw/zinc/67/80/03/565678003.db2.gz WLLSANWQKMSXFI-OCCSQVGLSA-N 1 2 375.270 3.221 10 30 GGEELO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCc2cc(Br)ccc21 ZINC000329742286 565678007 /nfs/dbraw/zinc/67/80/07/565678007.db2.gz WLLSANWQKMSXFI-OCCSQVGLSA-N 1 2 375.270 3.221 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(I)cc2)C1=O ZINC000410388780 565681837 /nfs/dbraw/zinc/68/18/37/565681837.db2.gz RZYCPFMMQUFTJG-HOTGVXAUSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(I)cc2)C1=O ZINC000410388780 565681841 /nfs/dbraw/zinc/68/18/41/565681841.db2.gz RZYCPFMMQUFTJG-HOTGVXAUSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388781 565681857 /nfs/dbraw/zinc/68/18/57/565681857.db2.gz RZYCPFMMQUFTJG-HZPDHXFCSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388781 565681860 /nfs/dbraw/zinc/68/18/60/565681860.db2.gz RZYCPFMMQUFTJG-HZPDHXFCSA-N 1 2 396.272 3.215 10 30 GGEELO O=C(N[C@H]1CCO[C@@H]1c1cncc(Br)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330339120 565701370 /nfs/dbraw/zinc/70/13/70/565701370.db2.gz WHCJYIUVMBELTL-HZUKXOBISA-N 1 2 391.269 3.090 10 30 GGEELO C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)ccc(Cl)c1Br ZINC000414120541 565896435 /nfs/dbraw/zinc/89/64/35/565896435.db2.gz CQOCEPPRMZQTRV-SECBINFHSA-N 1 2 382.085 3.341 10 30 GGEELO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)ccc(Cl)c1Br ZINC000414120541 565896438 /nfs/dbraw/zinc/89/64/38/565896438.db2.gz CQOCEPPRMZQTRV-SECBINFHSA-N 1 2 382.085 3.341 10 30 GGEELO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000178679105 565932971 /nfs/dbraw/zinc/93/29/71/565932971.db2.gz LQKYIKHLXPEIPR-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO COc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1C#N ZINC000179190100 565964650 /nfs/dbraw/zinc/96/46/50/565964650.db2.gz VCRBDEZZLFLJTQ-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748476 566004364 /nfs/dbraw/zinc/00/43/64/566004364.db2.gz NLHMEFDOJBROED-HOTGVXAUSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748476 566004368 /nfs/dbraw/zinc/00/43/68/566004368.db2.gz NLHMEFDOJBROED-HOTGVXAUSA-N 1 2 375.881 3.075 10 30 GGEELO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1O ZINC000287554784 566025372 /nfs/dbraw/zinc/02/53/72/566025372.db2.gz FVFAKDXAIFCZRH-WKSPDDFDSA-N 1 2 384.263 3.266 10 30 GGEELO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1O ZINC000287554780 566025675 /nfs/dbraw/zinc/02/56/75/566025675.db2.gz FVFAKDXAIFCZRH-PERWBAPNSA-N 1 2 384.263 3.266 10 30 GGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000248916229 566093021 /nfs/dbraw/zinc/09/30/21/566093021.db2.gz DFHNKONYMFQQSB-CPJLOUKISA-N 1 2 382.595 3.274 10 30 GGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000248916229 566093026 /nfs/dbraw/zinc/09/30/26/566093026.db2.gz DFHNKONYMFQQSB-CPJLOUKISA-N 1 2 382.595 3.274 10 30 GGEELO Cc1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3Br)CC2)s1 ZINC000181091856 566113081 /nfs/dbraw/zinc/11/30/81/566113081.db2.gz JSCPGISQEIFEHO-UHFFFAOYSA-N 1 2 391.338 3.404 10 30 GGEELO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365226 566256756 /nfs/dbraw/zinc/25/67/56/566256756.db2.gz VQPUHZGCTCUNBL-ZDUSSCGKSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365226 566256761 /nfs/dbraw/zinc/25/67/61/566256761.db2.gz VQPUHZGCTCUNBL-ZDUSSCGKSA-N 1 2 397.288 3.018 10 30 GGEELO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573765 566275282 /nfs/dbraw/zinc/27/52/82/566275282.db2.gz XCPPUCXTNSBXPA-MRXNPFEDSA-N 1 2 394.313 3.357 10 30 GGEELO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573765 566275280 /nfs/dbraw/zinc/27/52/80/566275280.db2.gz XCPPUCXTNSBXPA-MRXNPFEDSA-N 1 2 394.313 3.357 10 30 GGEELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCC[C@H]21 ZINC000599644384 566282170 /nfs/dbraw/zinc/28/21/70/566282170.db2.gz AIPLDPIDXFQREO-GVDBMIGSSA-N 1 2 377.282 3.484 10 30 GGEELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCC[C@H]21 ZINC000599644384 566282175 /nfs/dbraw/zinc/28/21/75/566282175.db2.gz AIPLDPIDXFQREO-GVDBMIGSSA-N 1 2 377.282 3.484 10 30 GGEELO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600153282 566319889 /nfs/dbraw/zinc/31/98/89/566319889.db2.gz XYCNNOAQLGFXGA-INIZCTEOSA-N 1 2 386.323 3.486 10 30 GGEELO Cc1cc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000600166603 566320297 /nfs/dbraw/zinc/32/02/97/566320297.db2.gz FUXWLULLBUUBRY-CQSZACIVSA-N 1 2 388.103 3.371 10 30 GGEELO Cc1cc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000600166603 566320305 /nfs/dbraw/zinc/32/03/05/566320305.db2.gz FUXWLULLBUUBRY-CQSZACIVSA-N 1 2 388.103 3.371 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794517 566358964 /nfs/dbraw/zinc/35/89/64/566358964.db2.gz LEXOUNIPYIZWAX-CVEARBPZSA-N 1 2 379.298 3.382 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794517 566358968 /nfs/dbraw/zinc/35/89/68/566358968.db2.gz LEXOUNIPYIZWAX-CVEARBPZSA-N 1 2 379.298 3.382 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000577380777 566430026 /nfs/dbraw/zinc/43/00/26/566430026.db2.gz DGVDDSOUGJGXTL-HNNXBMFYSA-N 1 2 376.298 3.155 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000577380777 566430034 /nfs/dbraw/zinc/43/00/34/566430034.db2.gz DGVDDSOUGJGXTL-HNNXBMFYSA-N 1 2 376.298 3.155 10 30 GGEELO N#CC1(C[C@@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)CCOCC1 ZINC000601953874 566432968 /nfs/dbraw/zinc/43/29/68/566432968.db2.gz GVTVMVZHXIPPLD-MRXNPFEDSA-N 1 2 390.281 3.384 10 30 GGEELO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118472 566493402 /nfs/dbraw/zinc/49/34/02/566493402.db2.gz NXNNAYORKMZWPM-DLBZAZTESA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118472 566493408 /nfs/dbraw/zinc/49/34/08/566493408.db2.gz NXNNAYORKMZWPM-DLBZAZTESA-N 1 2 375.881 3.075 10 30 GGEELO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118473 566493810 /nfs/dbraw/zinc/49/38/10/566493810.db2.gz NXNNAYORKMZWPM-IAGOWNOFSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cscc2C#N)c2ccc(Cl)cc2)C1 ZINC000578118473 566493818 /nfs/dbraw/zinc/49/38/18/566493818.db2.gz NXNNAYORKMZWPM-IAGOWNOFSA-N 1 2 375.881 3.075 10 30 GGEELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000578179083 566498361 /nfs/dbraw/zinc/49/83/61/566498361.db2.gz FLNPBXBHYDQARS-UHFFFAOYSA-N 1 2 378.881 3.304 10 30 GGEELO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000450394971 566666971 /nfs/dbraw/zinc/66/69/71/566666971.db2.gz SGJMXMAGYCHYHP-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+](CC)Cc2cn(C)nn2)cc1OC ZINC000540994700 566686635 /nfs/dbraw/zinc/68/66/35/566686635.db2.gz GMRXLSGABPSPFO-UHFFFAOYSA-N 1 2 395.301 3.173 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+](CC)Cc2cn(C)nn2)cc1OC ZINC000540994700 566686640 /nfs/dbraw/zinc/68/66/40/566686640.db2.gz GMRXLSGABPSPFO-UHFFFAOYSA-N 1 2 395.301 3.173 10 30 GGEELO C=CCCn1cc(C[NH2+]C2(c3cc(Br)ccc3OC)CC2)nn1 ZINC000653775009 566693448 /nfs/dbraw/zinc/69/34/48/566693448.db2.gz IATMRXHJNMOGFL-UHFFFAOYSA-N 1 2 377.286 3.404 10 30 GGEELO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1Cl ZINC000515731741 566730972 /nfs/dbraw/zinc/73/09/72/566730972.db2.gz PZFCOTNHFLHWGH-KRWDZBQOSA-N 1 2 398.315 3.446 10 30 GGEELO N#Cc1cc(F)c(N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000561880935 566745221 /nfs/dbraw/zinc/74/52/21/566745221.db2.gz YXDHUCVIJXZMLJ-CQSZACIVSA-N 1 2 382.277 3.151 10 30 GGEELO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(Br)c1 ZINC000581217138 566758619 /nfs/dbraw/zinc/75/86/19/566758619.db2.gz DSSSOUWPPXLYLJ-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CO)c3cccc(Br)c3)o2)c1 ZINC000541983375 566766025 /nfs/dbraw/zinc/76/60/25/566766025.db2.gz JCXXYTGEVPAFSM-INIZCTEOSA-N 1 2 399.248 3.194 10 30 GGEELO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000582583395 566877696 /nfs/dbraw/zinc/87/76/96/566877696.db2.gz ICVAMWDJDFGLOT-VIFPVBQESA-N 1 2 394.298 3.078 10 30 GGEELO N#Cc1cc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)ccn1 ZINC000610993936 566879761 /nfs/dbraw/zinc/87/97/61/566879761.db2.gz IDXSYAOWNBXHQR-UHFFFAOYSA-N 1 2 389.272 3.173 10 30 GGEELO CC(C)(CNc1c(C#N)cnc2c(Cl)cccc21)[NH+]1CCS(=O)CC1 ZINC000582961360 566908520 /nfs/dbraw/zinc/90/85/20/566908520.db2.gz BIHNNEGDBQYAMU-UHFFFAOYSA-N 1 2 376.913 3.015 10 30 GGEELO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1Br ZINC000611514425 566923376 /nfs/dbraw/zinc/92/33/76/566923376.db2.gz WTNRPHOIURBWLP-MRXNPFEDSA-N 1 2 382.221 3.024 10 30 GGEELO Cc1cc(Br)cn2cc(CNC(=O)c3sccc3C#N)[nH+]c12 ZINC000544771157 566991954 /nfs/dbraw/zinc/99/19/54/566991954.db2.gz MKBQGZLQPYQEOZ-UHFFFAOYSA-N 1 2 375.251 3.268 10 30 GGEELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370114 567045009 /nfs/dbraw/zinc/04/50/09/567045009.db2.gz RRIVSCXVOIJTJG-IAGOWNOFSA-N 1 2 381.929 3.089 10 30 GGEELO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370114 567045015 /nfs/dbraw/zinc/04/50/15/567045015.db2.gz RRIVSCXVOIJTJG-IAGOWNOFSA-N 1 2 381.929 3.089 10 30 GGEELO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370113 567045202 /nfs/dbraw/zinc/04/52/02/567045202.db2.gz RRIVSCXVOIJTJG-DLBZAZTESA-N 1 2 381.929 3.089 10 30 GGEELO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370113 567045209 /nfs/dbraw/zinc/04/52/09/567045209.db2.gz RRIVSCXVOIJTJG-DLBZAZTESA-N 1 2 381.929 3.089 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567074 567071076 /nfs/dbraw/zinc/07/10/76/567071076.db2.gz IJOJXBUIZPSYFE-BXUZGUMPSA-N 1 2 393.285 3.410 10 30 GGEELO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777725 567096066 /nfs/dbraw/zinc/09/60/66/567096066.db2.gz WXXBDPKFSACWJP-IINYFYTJSA-N 1 2 375.778 3.192 10 30 GGEELO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777725 567096073 /nfs/dbraw/zinc/09/60/73/567096073.db2.gz WXXBDPKFSACWJP-IINYFYTJSA-N 1 2 375.778 3.192 10 30 GGEELO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000587862102 567104903 /nfs/dbraw/zinc/10/49/03/567104903.db2.gz IADLAPPRYGGHPZ-GJZGRUSLSA-N 1 2 384.705 3.010 10 30 GGEELO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccc(Br)cc3)[nH+]c12 ZINC000522203101 567104955 /nfs/dbraw/zinc/10/49/55/567104955.db2.gz NACMKYYXRFWANT-MRXNPFEDSA-N 1 2 383.249 3.329 10 30 GGEELO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000587862103 567106202 /nfs/dbraw/zinc/10/62/02/567106202.db2.gz IADLAPPRYGGHPZ-HUUCEWRRSA-N 1 2 384.705 3.010 10 30 GGEELO Cc1c[nH+]c(C)nc1N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000566482096 567161251 /nfs/dbraw/zinc/16/12/51/567161251.db2.gz KAJGVETXIDMYTN-QGZVFWFLSA-N 1 2 386.297 3.243 10 30 GGEELO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc2c(cc1Br)OCCO2 ZINC000589309745 567175455 /nfs/dbraw/zinc/17/54/55/567175455.db2.gz GNSBCFHGMGVYMV-VIFPVBQESA-N 1 2 380.267 3.399 10 30 GGEELO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000474596682 567180784 /nfs/dbraw/zinc/18/07/84/567180784.db2.gz SGKATYPCZMZOJG-QGZVFWFLSA-N 1 2 383.945 3.336 10 30 GGEELO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000432980351 567212532 /nfs/dbraw/zinc/21/25/32/567212532.db2.gz UKGMNNWCNBKDMQ-SECBINFHSA-N 1 2 394.660 3.053 10 30 GGEELO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ncc(Br)cn1 ZINC000433005969 567215987 /nfs/dbraw/zinc/21/59/87/567215987.db2.gz DZYHRFAFKZBWKG-VIFPVBQESA-N 1 2 394.660 3.053 10 30 GGEELO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Br)cc1OCCCO ZINC000592121668 567316718 /nfs/dbraw/zinc/31/67/18/567316718.db2.gz ADKOBBVXJAOUKK-ZDUSSCGKSA-N 1 2 390.281 3.328 10 30 GGEELO C=CCCCN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455955007 567325101 /nfs/dbraw/zinc/32/51/01/567325101.db2.gz NAIJYSAALUPUHN-UHFFFAOYSA-N 1 2 383.290 3.111 10 30 GGEELO N#Cc1ccnc(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000436002244 567400310 /nfs/dbraw/zinc/40/03/10/567400310.db2.gz PGHSESGEXUJQIT-QGZVFWFLSA-N 1 2 385.265 3.491 10 30 GGEELO CCn1c(Cn2cc(Br)cc(C#N)c2=O)[nH+]c2cc(F)ccc21 ZINC000569627773 567418085 /nfs/dbraw/zinc/41/80/85/567418085.db2.gz VVUGRQXFFHRZKX-UHFFFAOYSA-N 1 2 375.201 3.039 10 30 GGEELO N#Cc1sccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000593531447 567421064 /nfs/dbraw/zinc/42/10/64/567421064.db2.gz SFWVCGFPJOFXEP-UHFFFAOYSA-N 1 2 395.937 3.170 10 30 GGEELO N#Cc1sccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000593531447 567421068 /nfs/dbraw/zinc/42/10/68/567421068.db2.gz SFWVCGFPJOFXEP-UHFFFAOYSA-N 1 2 395.937 3.170 10 30 GGEELO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cncs2)CC1 ZINC000595406173 567561931 /nfs/dbraw/zinc/56/19/31/567561931.db2.gz IQQWHQSDYMPRIQ-MRXNPFEDSA-N 1 2 377.311 3.288 10 30 GGEELO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cncs2)CC1 ZINC000595406172 567562320 /nfs/dbraw/zinc/56/23/20/567562320.db2.gz IQQWHQSDYMPRIQ-INIZCTEOSA-N 1 2 377.311 3.288 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(Br)cc3Cl)C2)nc1 ZINC000595502183 567568304 /nfs/dbraw/zinc/56/83/04/567568304.db2.gz QLCGJOYUNGCFCO-ZDUSSCGKSA-N 1 2 393.672 3.417 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(Br)cc3Cl)C2)nc1 ZINC000595502183 567568306 /nfs/dbraw/zinc/56/83/06/567568306.db2.gz QLCGJOYUNGCFCO-ZDUSSCGKSA-N 1 2 393.672 3.417 10 30 GGEELO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595787315 567583718 /nfs/dbraw/zinc/58/37/18/567583718.db2.gz NSOKGDMCOJFQHP-MEBBXXQBSA-N 1 2 375.778 3.192 10 30 GGEELO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595787315 567583724 /nfs/dbraw/zinc/58/37/24/567583724.db2.gz NSOKGDMCOJFQHP-MEBBXXQBSA-N 1 2 375.778 3.192 10 30 GGEELO Cc1nsc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1C#N ZINC000459556306 567635335 /nfs/dbraw/zinc/63/53/35/567635335.db2.gz FTJLDLRIBDPVAQ-UHFFFAOYSA-N 1 2 375.885 3.326 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cncc3Br)CC2)cc1 ZINC000596980751 567668052 /nfs/dbraw/zinc/66/80/52/567668052.db2.gz VACIYTZKHJJDGY-UHFFFAOYSA-N 1 2 389.272 3.173 10 30 GGEELO C[C@@]1(C#N)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000598412834 567763707 /nfs/dbraw/zinc/76/37/07/567763707.db2.gz WMLHOUPSVUAHCH-WMZOPIPTSA-N 1 2 376.298 3.348 10 30 GGEELO N#Cc1c(Br)cccc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183824 567809538 /nfs/dbraw/zinc/80/95/38/567809538.db2.gz APRJWGBDIUEODC-OAHLLOKOSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1c(Br)cccc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183824 567809543 /nfs/dbraw/zinc/80/95/43/567809543.db2.gz APRJWGBDIUEODC-OAHLLOKOSA-N 1 2 387.281 3.029 10 30 GGEELO Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccccc2C)cc1C ZINC000046133614 570212291 /nfs/dbraw/zinc/21/22/91/570212291.db2.gz UFTCVHCBDBYXDX-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO Cc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)cc(C)c2)c1 ZINC000046134549 570212503 /nfs/dbraw/zinc/21/25/03/570212503.db2.gz RYLRWNYNBXGAKI-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CC(C)c1ccc(NC(=NC(=O)c2ccccc2)NCC[NH+]2CCOCC2)cc1 ZINC000046134252 570212701 /nfs/dbraw/zinc/21/27/01/570212701.db2.gz GWUHGLPDUNRHOE-UHFFFAOYSA-N 1 2 394.519 3.340 10 30 GGEELO CC(C)c1noc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000014197757 570295953 /nfs/dbraw/zinc/29/59/53/570295953.db2.gz QPAOHXMPKCTTQH-UHFFFAOYSA-N 1 2 389.459 3.176 10 30 GGEELO CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025175648 570739653 /nfs/dbraw/zinc/73/96/53/570739653.db2.gz KSZYOGAJFKCQDN-UHFFFAOYSA-N 1 2 376.416 3.219 10 30 GGEELO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000007900608 1398769042 /nfs/dbraw/zinc/76/90/42/1398769042.db2.gz HSSQGNZXAKDEKH-LFYBBSHMSA-N 1 2 381.457 3.019 10 30 GGEELO COC(=O)CCC[NH+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000079022086 1409951005 /nfs/dbraw/zinc/95/10/05/1409951005.db2.gz BXQNFTZQNBDTTC-UHFFFAOYSA-N 1 2 377.488 3.296 10 30 GGEELO CNC(=O)c1cccc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000113925986 1412352824 /nfs/dbraw/zinc/35/28/24/1412352824.db2.gz CAHPKKPVKHPUBQ-UHFFFAOYSA-N 1 2 389.455 3.462 10 30 GGEELO C[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000126001902 1415333902 /nfs/dbraw/zinc/33/39/02/1415333902.db2.gz CMJOACQXCBLWIK-ICSRJNTNSA-N 1 2 393.491 3.020 10 30 GGEELO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151270374 1417909617 /nfs/dbraw/zinc/90/96/17/1417909617.db2.gz AQICDFWDDPYFDA-DOMZBBRYSA-N 1 2 398.410 3.045 10 30 GGEELO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156849998 1423874893 /nfs/dbraw/zinc/87/48/93/1423874893.db2.gz ARHAHBPQTGMQDB-FXAWDEMLSA-N 1 2 380.448 3.125 10 30 GGEELO C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246852709 1433678619 /nfs/dbraw/zinc/67/86/19/1433678619.db2.gz AQICDFWDDPYFDA-IUODEOHRSA-N 1 2 398.410 3.045 10 30 GGEELO O[C@]1(c2ccccc2)CSC(=Nc2cccnc2)N1CCCn1cc[nH+]c1 ZINC000254740694 1433871850 /nfs/dbraw/zinc/87/18/50/1433871850.db2.gz FYXSUWLYOGAVBF-FQEVSTJZSA-N 1 2 379.489 3.250 10 30 GGEELO CC[NH+](CC)Cc1nc(C2(NC(=O)Nc3ccc(C#N)cc3)CCCC2)no1 ZINC000272377035 1434891790 /nfs/dbraw/zinc/89/17/90/1434891790.db2.gz HHQUOFUHVMGOKB-UHFFFAOYSA-N 1 2 382.468 3.374 10 30 GGEELO CN(CCC#N)C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246528 206508928 /nfs/dbraw/zinc/50/89/28/206508928.db2.gz XQJAJCADVBGKSU-UHFFFAOYSA-N 1 2 375.457 3.500 10 30 GGEELO C[C@H](C(=O)Nc1sccc1C#N)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009051861 206772911 /nfs/dbraw/zinc/77/29/11/206772911.db2.gz HIUSNBONLAMGDR-OAHLLOKOSA-N 1 2 388.537 3.061 10 30 GGEELO N#Cc1ccccc1NC(=O)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000015867910 207066302 /nfs/dbraw/zinc/06/63/02/207066302.db2.gz AKMVWXWNPWYTOO-UHFFFAOYSA-N 1 2 387.443 3.459 10 30 GGEELO N#Cc1ccc(C[NH+]2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 ZINC000022781860 207260532 /nfs/dbraw/zinc/26/05/32/207260532.db2.gz GNEHIGRLAQJNSP-UHFFFAOYSA-N 1 2 378.520 3.125 10 30 GGEELO N#Cc1ccc(CN2CC[NH+](CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 ZINC000022781860 207260537 /nfs/dbraw/zinc/26/05/37/207260537.db2.gz GNEHIGRLAQJNSP-UHFFFAOYSA-N 1 2 378.520 3.125 10 30 GGEELO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)Oc2ccccc21 ZINC000024979934 207299463 /nfs/dbraw/zinc/29/94/63/207299463.db2.gz ZWUJKPFDJAFHTK-KRWDZBQOSA-N 1 2 398.894 3.369 10 30 GGEELO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)Oc2ccccc21 ZINC000024979934 207299466 /nfs/dbraw/zinc/29/94/66/207299466.db2.gz ZWUJKPFDJAFHTK-KRWDZBQOSA-N 1 2 398.894 3.369 10 30 GGEELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000089340156 208105315 /nfs/dbraw/zinc/10/53/15/208105315.db2.gz FNRONSXLMRCDSA-KRWDZBQOSA-N 1 2 388.468 3.296 10 30 GGEELO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006540 208251175 /nfs/dbraw/zinc/25/11/75/208251175.db2.gz AOXODUKPSCHDKW-ROUUACIJSA-N 1 2 377.460 3.201 10 30 GGEELO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006540 208251179 /nfs/dbraw/zinc/25/11/79/208251179.db2.gz AOXODUKPSCHDKW-ROUUACIJSA-N 1 2 377.460 3.201 10 30 GGEELO N#Cc1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000058123615 136154430 /nfs/dbraw/zinc/15/44/30/136154430.db2.gz KOZNIOLWJHNALT-UHFFFAOYSA-N 1 2 388.393 3.338 10 30 GGEELO C#CCN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000072273212 518271429 /nfs/dbraw/zinc/27/14/29/518271429.db2.gz LVQCUOHLOZTCIT-IBGZPJMESA-N 1 2 394.544 3.128 10 30 GGEELO C#CCN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072273212 518271440 /nfs/dbraw/zinc/27/14/40/518271440.db2.gz LVQCUOHLOZTCIT-IBGZPJMESA-N 1 2 394.544 3.128 10 30 GGEELO CCCCCCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000003046757 520053616 /nfs/dbraw/zinc/05/36/16/520053616.db2.gz XASVZJFWVYIUAE-FQEVSTJZSA-N 1 2 382.508 3.490 10 30 GGEELO CN(C)/N=C1\c2ccccc2N(C[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000033339045 523969521 /nfs/dbraw/zinc/96/95/21/523969521.db2.gz UBTNLCDBSAXSDQ-ZNTNEXAZSA-N 1 2 376.504 3.211 10 30 GGEELO O=C(/C=C\c1cn(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc12)c1cccs1 ZINC000033531629 527660065 /nfs/dbraw/zinc/66/00/65/527660065.db2.gz KNSVPMPQEKEHRK-ZEVQVBBLSA-N 1 2 396.512 3.292 10 30 GGEELO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000048059757 564530991 /nfs/dbraw/zinc/53/09/91/564530991.db2.gz SZAMNDSHLIGGIQ-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000126730538 564559653 /nfs/dbraw/zinc/55/96/53/564559653.db2.gz NLHMEFDOJBROED-HZPDHXFCSA-N 1 2 375.881 3.075 10 30 GGEELO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000126730538 564559658 /nfs/dbraw/zinc/55/96/58/564559658.db2.gz NLHMEFDOJBROED-HZPDHXFCSA-N 1 2 375.881 3.075 10 30 GGEELO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000103478900 564949686 /nfs/dbraw/zinc/94/96/86/564949686.db2.gz FOHJQWYLNBPZFZ-HNNXBMFYSA-N 1 2 376.869 3.070 10 30 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N#Cc1cc(Br)ccc1CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941939 567729309 /nfs/dbraw/zinc/72/93/09/567729309.db2.gz SXNUZNQXRNUESB-UHFFFAOYSA-N 1 2 399.292 3.175 10 30 GGEELO N#Cc1cnc2c(Br)cccc2c1NCC1([NH+]2CCOCC2)CC1 ZINC000573739005 567732645 /nfs/dbraw/zinc/73/26/45/567732645.db2.gz PFIYQJVMYZRDSW-UHFFFAOYSA-N 1 2 387.281 3.146 10 30 GGEELO C=CCCn1cc(C[NH2+]Cc2nc3cc(Br)ccc3n2CC)nn1 ZINC000668056055 567794439 /nfs/dbraw/zinc/79/44/39/567794439.db2.gz SCNXNCZTMAPRGD-UHFFFAOYSA-N 1 2 389.301 3.276 10 30 GGEELO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000599183102 567809494 /nfs/dbraw/zinc/80/94/94/567809494.db2.gz GTMKDNQFYKASPD-MRXNPFEDSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000599183102 567809497 /nfs/dbraw/zinc/80/94/97/567809497.db2.gz GTMKDNQFYKASPD-MRXNPFEDSA-N 1 2 387.281 3.029 10 30 GGEELO Cc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cc(C)ccc2C)c1 ZINC000046134037 570212729 /nfs/dbraw/zinc/21/27/29/570212729.db2.gz 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N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000174476086 1427173391 /nfs/dbraw/zinc/17/33/91/1427173391.db2.gz BDJKELIQPICKPT-HXUWFJFHSA-N 1 2 391.471 3.287 10 30 GGEELO N#CCCn1cc(/C=C/C(=O)N2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000023846339 230911439 /nfs/dbraw/zinc/91/14/39/230911439.db2.gz BXUPWEMNVKADSN-VOTSOKGWSA-N 1 2 399.498 3.308 10 30 GGEELO COc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)cc1F ZINC000013006092 210046433 /nfs/dbraw/zinc/04/64/33/210046433.db2.gz NYJQANDPLUEURR-VQHVLOKHSA-N 1 2 379.435 3.064 10 30 GGEELO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006539 211293270 /nfs/dbraw/zinc/29/32/70/211293270.db2.gz AOXODUKPSCHDKW-QZTJIDSGSA-N 1 2 377.460 3.201 10 30 GGEELO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006539 211293272 /nfs/dbraw/zinc/29/32/72/211293272.db2.gz AOXODUKPSCHDKW-QZTJIDSGSA-N 1 2 377.460 3.201 10 30 GGEELO S=C(NCC[NH+]1CCOCC1)N/N=C/c1c2ccccc2cc2ccccc21 ZINC000020823301 210362992 /nfs/dbraw/zinc/36/29/92/210362992.db2.gz LCUUKKYLAQYQQX-LFVJCYFKSA-N 1 2 392.528 3.123 10 30 GGEELO N#Cc1cccc(C(=O)NCc2ccc(N3CCN(c4cccc[nH+]4)CC3)cc2)c1 ZINC000064756259 136157556 /nfs/dbraw/zinc/15/75/56/136157556.db2.gz PGYAEMGNUXHKNZ-UHFFFAOYSA-N 1 2 397.482 3.210 10 30 GGEELO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(C)CCC#N ZINC000069950908 521552261 /nfs/dbraw/zinc/55/22/61/521552261.db2.gz IKLHEBDFRDHDRE-UHFFFAOYSA-N 1 2 385.295 3.016 10 30 GGEELO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(C)CCC#N ZINC000069950908 521552264 /nfs/dbraw/zinc/55/22/64/521552264.db2.gz IKLHEBDFRDHDRE-UHFFFAOYSA-N 1 2 385.295 3.016 10 30 GGEELO Cc1[nH]nc(C(N)=O)c1N=Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000098209990 525474503 /nfs/dbraw/zinc/47/45/03/525474503.db2.gz YXOZFPOHFITBKF-AUEPDCJTSA-N 1 2 388.431 3.103 10 30 GGEELO Cn1ncc(C(=O)O/[NH+]=C(\c2ccccc2)c2ccccc2N)c1-n1cccc1 ZINC000001027784 527569601 /nfs/dbraw/zinc/56/96/01/527569601.db2.gz VJCBLMUETRXSLH-LKUDQCMESA-N 1 2 385.427 3.402 10 30 GGEELO N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000118161416 564237026 /nfs/dbraw/zinc/23/70/26/564237026.db2.gz DFOCXRDLZPUIBX-UHFFFAOYSA-N 1 2 376.800 3.337 10 30 GGEELO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1Br ZINC000119999290 564299134 /nfs/dbraw/zinc/29/91/34/564299134.db2.gz FACGSAPLUBCYTJ-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO N#CCCN(CC[NH+]1CCOCC1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000025540973 564339660 /nfs/dbraw/zinc/33/96/60/564339660.db2.gz TUSFAFAXYYIKQG-UHFFFAOYSA-N 1 2 387.336 3.238 10 30 GGEELO COc1ccc(Br)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000122927834 564432068 /nfs/dbraw/zinc/43/20/68/564432068.db2.gz BHHLVZWRVAJSPS-UHFFFAOYSA-N 1 2 387.281 3.047 10 30 GGEELO N#Cc1ccsc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000052033994 564569659 /nfs/dbraw/zinc/56/96/59/564569659.db2.gz FQNOSEXRSDAXFX-UHFFFAOYSA-N 1 2 375.881 3.110 10 30 GGEELO N#CCCCCS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000068879191 564828432 /nfs/dbraw/zinc/82/84/32/564828432.db2.gz HYKIIMBOJRZPNO-INIZCTEOSA-N 1 2 387.908 3.229 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C(=O)NC)cc1OCC ZINC000092097599 564873714 /nfs/dbraw/zinc/87/37/14/564873714.db2.gz RIINTYLDMJZUFU-HNNXBMFYSA-N 1 2 397.313 3.123 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2C(=O)NC)cc1OCC ZINC000092097599 564873718 /nfs/dbraw/zinc/87/37/18/564873718.db2.gz RIINTYLDMJZUFU-HNNXBMFYSA-N 1 2 397.313 3.123 10 30 GGEELO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000369908673 565118495 /nfs/dbraw/zinc/11/84/95/565118495.db2.gz AMJYMPISSYUDEB-LRDDRELGSA-N 1 2 382.327 3.456 10 30 GGEELO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000369908673 565118499 /nfs/dbraw/zinc/11/84/99/565118499.db2.gz AMJYMPISSYUDEB-LRDDRELGSA-N 1 2 382.327 3.456 10 30 GGEELO N#Cc1cccnc1-n1cc(NCc2c[nH+]c3ccc(Br)cn23)cn1 ZINC000185848080 565225437 /nfs/dbraw/zinc/22/54/37/565225437.db2.gz KGKGAFCEDSREAJ-UHFFFAOYSA-N 1 2 394.236 3.161 10 30 GGEELO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373972403 565313967 /nfs/dbraw/zinc/31/39/67/565313967.db2.gz NAZIEHGMVCVBIZ-HBUWYVDXSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373972403 565313973 /nfs/dbraw/zinc/31/39/73/565313973.db2.gz NAZIEHGMVCVBIZ-HBUWYVDXSA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](C)O2 ZINC000374028609 565316274 /nfs/dbraw/zinc/31/62/74/565316274.db2.gz RENHPZIWNXFTNU-GLJUWKHASA-N 1 2 379.298 3.479 10 30 GGEELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](C)O2 ZINC000374028609 565316277 /nfs/dbraw/zinc/31/62/77/565316277.db2.gz RENHPZIWNXFTNU-GLJUWKHASA-N 1 2 379.298 3.479 10 30 GGEELO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000374615268 565347402 /nfs/dbraw/zinc/34/74/02/565347402.db2.gz XOSZOJBPRBMQSR-ZDUSSCGKSA-N 1 2 395.326 3.303 10 30 GGEELO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000374615268 565347406 /nfs/dbraw/zinc/34/74/06/565347406.db2.gz XOSZOJBPRBMQSR-ZDUSSCGKSA-N 1 2 395.326 3.303 10 30 GGEELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743063 565486106 /nfs/dbraw/zinc/48/61/06/565486106.db2.gz VWZBLZJLPZKVEV-MFKMUULPSA-N 1 2 375.284 3.287 10 30 GGEELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743063 565486111 /nfs/dbraw/zinc/48/61/11/565486111.db2.gz VWZBLZJLPZKVEV-MFKMUULPSA-N 1 2 375.284 3.287 10 30 GGEELO Cc1ncc(C[NH+]2CCN(Cc3cc(C#N)ccc3Br)CC2)s1 ZINC000191784508 565632120 /nfs/dbraw/zinc/63/21/20/565632120.db2.gz OOBYSCNSNCIBAB-UHFFFAOYSA-N 1 2 391.338 3.404 10 30 GGEELO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccccc2I)C1=O ZINC000410370546 565679442 /nfs/dbraw/zinc/67/94/42/565679442.db2.gz HRXLXMDVXBLOSS-HOTGVXAUSA-N 1 2 396.272 3.215 10 30 GGEELO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2I)C1=O ZINC000410370546 565679445 /nfs/dbraw/zinc/67/94/45/565679445.db2.gz HRXLXMDVXBLOSS-HOTGVXAUSA-N 1 2 396.272 3.215 10 30 GGEELO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000412043186 565766750 /nfs/dbraw/zinc/76/67/50/565766750.db2.gz OYGOJIYYJSCENL-UHFFFAOYSA-N 1 2 378.881 3.126 10 30 GGEELO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000412043186 565766756 /nfs/dbraw/zinc/76/67/56/565766756.db2.gz OYGOJIYYJSCENL-UHFFFAOYSA-N 1 2 378.881 3.126 10 30 GGEELO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732654 566003297 /nfs/dbraw/zinc/00/32/97/566003297.db2.gz JBGFMVUQRRCBKN-IAGOWNOFSA-N 1 2 387.908 3.226 10 30 GGEELO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732654 566003301 /nfs/dbraw/zinc/00/33/01/566003301.db2.gz JBGFMVUQRRCBKN-IAGOWNOFSA-N 1 2 387.908 3.226 10 30 GGEELO COC(=O)C[C@](C)([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000419290512 566231420 /nfs/dbraw/zinc/23/14/20/566231420.db2.gz YZESZOIHBWGUSB-INIZCTEOSA-N 1 2 394.294 3.345 10 30 GGEELO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599573764 566275426 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CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000602947363 566501756 /nfs/dbraw/zinc/50/17/56/566501756.db2.gz XYKYUHJZAPKEQH-HZPDHXFCSA-N 1 2 385.291 3.112 10 30 GGEELO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(OC)cc1 ZINC000425400170 566640216 /nfs/dbraw/zinc/64/02/16/566640216.db2.gz CEZIXJQKUWXTFK-UHFFFAOYSA-N 1 2 380.535 3.195 10 30 GGEELO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(OC)cc1 ZINC000425400170 566640217 /nfs/dbraw/zinc/64/02/17/566640217.db2.gz CEZIXJQKUWXTFK-UHFFFAOYSA-N 1 2 380.535 3.195 10 30 GGEELO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468931489 566745667 /nfs/dbraw/zinc/74/56/67/566745667.db2.gz IUGUUXNVFRAPSG-APPDUMDISA-N 1 2 388.265 3.207 10 30 GGEELO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000516312406 566757749 /nfs/dbraw/zinc/75/77/49/566757749.db2.gz FDLIZPZSDOLUQS-ZDUSSCGKSA-N 1 2 386.297 3.181 10 30 GGEELO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000489648918 566801309 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N#Cc1cccc2c1C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125228 567388684 /nfs/dbraw/zinc/38/86/84/567388684.db2.gz BXYDDBQQVXQMHD-GOSISDBHSA-N 1 2 382.261 3.442 10 30 GGEELO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125228 567388693 /nfs/dbraw/zinc/38/86/93/567388693.db2.gz BXYDDBQQVXQMHD-GOSISDBHSA-N 1 2 382.261 3.442 10 30 GGEELO C[NH+](C)Cc1csc(NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593171670 567392802 /nfs/dbraw/zinc/39/28/02/567392802.db2.gz PWSAWVQXSMTUJB-UHFFFAOYSA-N 1 2 379.283 3.020 10 30 GGEELO N#Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000593203026 567396789 /nfs/dbraw/zinc/39/67/89/567396789.db2.gz FFUITPQBNSWBAK-UHFFFAOYSA-N 1 2 377.775 3.085 10 30 GGEELO N#Cc1ccc2[nH+]cc(CN3CCOc4c(Br)cccc4C3)n2c1 ZINC000619431645 567452194 /nfs/dbraw/zinc/45/21/94/567452194.db2.gz PJWQNENWKCLDAV-UHFFFAOYSA-N 1 2 383.249 3.363 10 30 GGEELO N#Cc1cc(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)ccn1 ZINC000619623802 567471006 /nfs/dbraw/zinc/47/10/06/567471006.db2.gz 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N#Cc1cc(Br)ccc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183713 567809266 /nfs/dbraw/zinc/80/92/66/567809266.db2.gz RHXNLZWZXHEUFK-QGZVFWFLSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1cc(Br)ccc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183713 567809269 /nfs/dbraw/zinc/80/92/69/567809269.db2.gz RHXNLZWZXHEUFK-QGZVFWFLSA-N 1 2 387.281 3.029 10 30 GGEELO CCc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccccc2C)cc1 ZINC000046133642 570212301 /nfs/dbraw/zinc/21/23/01/570212301.db2.gz KIKHWMCXSAEFQB-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO CCc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)c1 ZINC000046134308 570212539 /nfs/dbraw/zinc/21/25/39/570212539.db2.gz HVVDDPFQAAFWLP-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO Cc1cccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCC[NH+]2CCOCC2)c1 ZINC000046134154 570212680 /nfs/dbraw/zinc/21/26/80/570212680.db2.gz IPBIVBWWGSHUGY-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CCc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCC[NH+]1CCOCC1 ZINC000046134427 570212708 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C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331339864 565755668 /nfs/dbraw/zinc/75/56/68/565755668.db2.gz RXYCLFLISWJTMJ-HOTGVXAUSA-N 1 2 387.908 3.084 10 30 GGEELO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732650 566003043 /nfs/dbraw/zinc/00/30/43/566003043.db2.gz JBGFMVUQRRCBKN-DLBZAZTESA-N 1 2 387.908 3.226 10 30 GGEELO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732650 566003045 /nfs/dbraw/zinc/00/30/45/566003045.db2.gz JBGFMVUQRRCBKN-DLBZAZTESA-N 1 2 387.908 3.226 10 30 GGEELO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180100253 566033109 /nfs/dbraw/zinc/03/31/09/566033109.db2.gz JBGFMVUQRRCBKN-IRXDYDNUSA-N 1 2 387.908 3.226 10 30 GGEELO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180100253 566033115 /nfs/dbraw/zinc/03/31/15/566033115.db2.gz JBGFMVUQRRCBKN-IRXDYDNUSA-N 1 2 387.908 3.226 10 30 GGEELO N#Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)ccc1Cl ZINC000180795965 566089716 /nfs/dbraw/zinc/08/97/16/566089716.db2.gz SMERBXUSEDTPQK-UHFFFAOYSA-N 1 2 375.759 3.364 10 30 GGEELO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cc1Br ZINC000181078042 566111894 /nfs/dbraw/zinc/11/18/94/566111894.db2.gz CBELGXJSKDYWDA-UHFFFAOYSA-N 1 2 375.266 3.324 10 30 GGEELO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1Br ZINC000181078042 566111896 /nfs/dbraw/zinc/11/18/96/566111896.db2.gz CBELGXJSKDYWDA-UHFFFAOYSA-N 1 2 375.266 3.324 10 30 GGEELO C=CCn1c(COCC)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508956526 566251697 /nfs/dbraw/zinc/25/16/97/566251697.db2.gz QMTPIWOEUOBGIK-UHFFFAOYSA-N 1 2 381.933 3.038 10 30 GGEELO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310811 566252899 /nfs/dbraw/zinc/25/28/99/566252899.db2.gz DDZDLGLLJDRCIE-OAHLLOKOSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310811 566252903 /nfs/dbraw/zinc/25/29/03/566252903.db2.gz DDZDLGLLJDRCIE-OAHLLOKOSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310810 566253477 /nfs/dbraw/zinc/25/34/77/566253477.db2.gz DDZDLGLLJDRCIE-HNNXBMFYSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310810 566253482 /nfs/dbraw/zinc/25/34/82/566253482.db2.gz DDZDLGLLJDRCIE-HNNXBMFYSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353223 566255449 /nfs/dbraw/zinc/25/54/49/566255449.db2.gz GVAKOPRAFXBEAP-OAHLLOKOSA-N 1 2 397.288 3.018 10 30 GGEELO N#CC1(C[C@@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353223 566255453 /nfs/dbraw/zinc/25/54/53/566255453.db2.gz GVAKOPRAFXBEAP-OAHLLOKOSA-N 1 2 397.288 3.018 10 30 GGEELO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599573005 566275829 /nfs/dbraw/zinc/27/58/29/566275829.db2.gz KUAIBJFUDWSMFI-HNNXBMFYSA-N 1 2 392.297 3.157 10 30 GGEELO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599573005 566275836 /nfs/dbraw/zinc/27/58/36/566275836.db2.gz KUAIBJFUDWSMFI-HNNXBMFYSA-N 1 2 392.297 3.157 10 30 GGEELO COC(=O)[C@]1([NH2+]CCC(C)(C)C#N)CCc2cc(Br)ccc2C1 ZINC000599594286 566277403 /nfs/dbraw/zinc/27/74/03/566277403.db2.gz NVVHKBBVQUUXFX-SFHVURJKSA-N 1 2 379.298 3.379 10 30 GGEELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCC[C@@H]21 ZINC000599644381 566282294 /nfs/dbraw/zinc/28/22/94/566282294.db2.gz AIPLDPIDXFQREO-BRWVUGGUSA-N 1 2 377.282 3.484 10 30 GGEELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCC[C@@H]21 ZINC000599644381 566282297 /nfs/dbraw/zinc/28/22/97/566282297.db2.gz AIPLDPIDXFQREO-BRWVUGGUSA-N 1 2 377.282 3.484 10 30 GGEELO Cc1cc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCOCC2)on1 ZINC000599675405 566286248 /nfs/dbraw/zinc/28/62/48/566286248.db2.gz KQDZEQDVNIZECS-UHFFFAOYSA-N 1 2 376.254 3.413 10 30 GGEELO C=CCn1c(CC)nnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000669806974 566328945 /nfs/dbraw/zinc/32/89/45/566328945.db2.gz LABHFGKGXCFBPT-UHFFFAOYSA-N 1 2 390.329 3.111 10 30 GGEELO N#Cc1cccc(N2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)n1 ZINC000463131370 566386413 /nfs/dbraw/zinc/38/64/13/566386413.db2.gz ZFSPLVQDCCHXQR-UHFFFAOYSA-N 1 2 398.264 3.179 10 30 GGEELO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709909 566387976 /nfs/dbraw/zinc/38/79/76/566387976.db2.gz FFHUZCQHUKQYIW-UHFFFAOYSA-N 1 2 378.332 3.400 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000577380779 566430333 /nfs/dbraw/zinc/43/03/33/566430333.db2.gz DGVDDSOUGJGXTL-OAHLLOKOSA-N 1 2 376.298 3.155 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000577380779 566430350 /nfs/dbraw/zinc/43/03/50/566430350.db2.gz DGVDDSOUGJGXTL-OAHLLOKOSA-N 1 2 376.298 3.155 10 30 GGEELO N#CC1(C[C@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)CCOCC1 ZINC000601953871 566432732 /nfs/dbraw/zinc/43/27/32/566432732.db2.gz GVTVMVZHXIPPLD-INIZCTEOSA-N 1 2 390.281 3.384 10 30 GGEELO Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577518115 566441779 /nfs/dbraw/zinc/44/17/79/566441779.db2.gz AQDSDUQQLHCUNJ-KRWDZBQOSA-N 1 2 378.270 3.386 10 30 GGEELO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558088848 566448776 /nfs/dbraw/zinc/44/87/76/566448776.db2.gz VTQXQFDOSGAAGJ-UHFFFAOYSA-N 1 2 378.314 3.401 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449474435 566567481 /nfs/dbraw/zinc/56/74/81/566567481.db2.gz RWXFBRPSLFPPJF-MRXNPFEDSA-N 1 2 392.240 3.224 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449474435 566567488 /nfs/dbraw/zinc/56/74/88/566567488.db2.gz RWXFBRPSLFPPJF-MRXNPFEDSA-N 1 2 392.240 3.224 10 30 GGEELO C=CCC1(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CCOCC1 ZINC000424783888 566569505 /nfs/dbraw/zinc/56/95/05/566569505.db2.gz QRNVMESZODJHHF-UHFFFAOYSA-N 1 2 392.297 3.394 10 30 GGEELO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1OCCCC#N ZINC000449487449 566570336 /nfs/dbraw/zinc/57/03/36/566570336.db2.gz YEASSBAEAZFLLC-UHFFFAOYSA-N 1 2 393.285 3.164 10 30 GGEELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000466965061 566612274 /nfs/dbraw/zinc/61/22/74/566612274.db2.gz OJJMXCUQOPJNKF-UHFFFAOYSA-N 1 2 394.294 3.183 10 30 GGEELO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc(Br)c4)CC3)n2c1 ZINC000560277227 566613207 /nfs/dbraw/zinc/61/32/07/566613207.db2.gz VZYMEPDJKOAEAA-UHFFFAOYSA-N 1 2 396.292 3.291 10 30 GGEELO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000561199863 566684612 /nfs/dbraw/zinc/68/46/12/566684612.db2.gz BZDMGIDIKICYRR-CQSZACIVSA-N 1 2 386.297 3.302 10 30 GGEELO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(Br)c1 ZINC000488493294 566730315 /nfs/dbraw/zinc/73/03/15/566730315.db2.gz KZGXKDRETDZKJL-MRXNPFEDSA-N 1 2 382.221 3.024 10 30 GGEELO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(Br)c1 ZINC000488493293 566731093 /nfs/dbraw/zinc/73/10/93/566731093.db2.gz KZGXKDRETDZKJL-INIZCTEOSA-N 1 2 382.221 3.024 10 30 GGEELO N#Cc1cc(F)c(N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000561880934 566744828 /nfs/dbraw/zinc/74/48/28/566744828.db2.gz YXDHUCVIJXZMLJ-AWEZNQCLSA-N 1 2 382.277 3.151 10 30 GGEELO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468932268 566745659 /nfs/dbraw/zinc/74/56/59/566745659.db2.gz IUGUUXNVFRAPSG-DIFFPNOSSA-N 1 2 388.265 3.207 10 30 GGEELO Cc1nn(C)c(N2CC[NH+](CCc3cc(Cl)ccc3Cl)CC2)c1C#N ZINC000488997035 566761577 /nfs/dbraw/zinc/76/15/77/566761577.db2.gz PWXHCBRHLLMAKL-UHFFFAOYSA-N 1 2 378.307 3.272 10 30 GGEELO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1scnc1C ZINC000489479207 566790841 /nfs/dbraw/zinc/79/08/41/566790841.db2.gz NZCYHVLFSZLMSN-UHFFFAOYSA-N 1 2 378.885 3.064 10 30 GGEELO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1scnc1C ZINC000489479207 566790844 /nfs/dbraw/zinc/79/08/44/566790844.db2.gz NZCYHVLFSZLMSN-UHFFFAOYSA-N 1 2 378.885 3.064 10 30 GGEELO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1scnc1C ZINC000489488123 566791825 /nfs/dbraw/zinc/79/18/25/566791825.db2.gz WFCOFLCLZLFVPW-UHFFFAOYSA-N 1 2 378.885 3.064 10 30 GGEELO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1scnc1C ZINC000489488123 566791832 /nfs/dbraw/zinc/79/18/32/566791832.db2.gz WFCOFLCLZLFVPW-UHFFFAOYSA-N 1 2 378.885 3.064 10 30 GGEELO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000489648921 566800826 /nfs/dbraw/zinc/80/08/26/566800826.db2.gz QSYHCAQNSGXRLO-WBVHZDCISA-N 1 2 376.444 3.125 10 30 GGEELO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000489648921 566800830 /nfs/dbraw/zinc/80/08/30/566800830.db2.gz QSYHCAQNSGXRLO-WBVHZDCISA-N 1 2 376.444 3.125 10 30 GGEELO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1Br ZINC000611514424 566923647 /nfs/dbraw/zinc/92/36/47/566923647.db2.gz WTNRPHOIURBWLP-INIZCTEOSA-N 1 2 382.221 3.024 10 30 GGEELO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567076 567071476 /nfs/dbraw/zinc/07/14/76/567071476.db2.gz IJOJXBUIZPSYFE-RISCZKNCSA-N 1 2 393.285 3.410 10 30 GGEELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777726 567096026 /nfs/dbraw/zinc/09/60/26/567096026.db2.gz WXXBDPKFSACWJP-QMTHXVAHSA-N 1 2 375.778 3.192 10 30 GGEELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777726 567096031 /nfs/dbraw/zinc/09/60/31/567096031.db2.gz WXXBDPKFSACWJP-QMTHXVAHSA-N 1 2 375.778 3.192 10 30 GGEELO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(Br)cc3)[nH+]c12 ZINC000522203100 567104891 /nfs/dbraw/zinc/10/48/91/567104891.db2.gz NACMKYYXRFWANT-INIZCTEOSA-N 1 2 383.249 3.329 10 30 GGEELO N#Cc1cc(Cl)cc(Br)c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000587862101 567104941 /nfs/dbraw/zinc/10/49/41/567104941.db2.gz IADLAPPRYGGHPZ-CABCVRRESA-N 1 2 384.705 3.010 10 30 GGEELO N#Cc1cccc(N2CC[NH+](Cc3c(F)cccc3Br)CC2)n1 ZINC000546214366 567115805 /nfs/dbraw/zinc/11/58/05/567115805.db2.gz OIPWTFOFNOCWGN-UHFFFAOYSA-N 1 2 375.245 3.177 10 30 GGEELO COc1sc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1Br ZINC000546261433 567118579 /nfs/dbraw/zinc/11/85/79/567118579.db2.gz PCCCJIFAMLRVPJ-UHFFFAOYSA-N 1 2 393.310 3.108 10 30 GGEELO Cc1cc(Br)cn2cc(CCNC(=O)Cc3cccc(C#N)c3)[nH+]c12 ZINC000546770088 567156412 /nfs/dbraw/zinc/15/64/12/567156412.db2.gz PNJHUTFPZDWKHV-UHFFFAOYSA-N 1 2 397.276 3.178 10 30 GGEELO C[C@@H](C#N)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567155951 567222969 /nfs/dbraw/zinc/22/29/69/567222969.db2.gz DBWULYDZZDMGFX-JTQLQIEISA-N 1 2 385.205 3.323 10 30 GGEELO C[C@@H](C#N)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567155951 567222973 /nfs/dbraw/zinc/22/29/73/567222973.db2.gz DBWULYDZZDMGFX-JTQLQIEISA-N 1 2 385.205 3.323 10 30 GGEELO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2OCCC)C1=O ZINC000500004357 567290208 /nfs/dbraw/zinc/29/02/08/567290208.db2.gz YMTKTPAHXXFMFD-INIZCTEOSA-N 1 2 381.314 3.457 10 30 GGEELO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2OCCC)C1=O ZINC000500004357 567290215 /nfs/dbraw/zinc/29/02/15/567290215.db2.gz YMTKTPAHXXFMFD-INIZCTEOSA-N 1 2 381.314 3.457 10 30 GGEELO Cc1cc(C)c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c[nH+]1 ZINC000592804270 567363785 /nfs/dbraw/zinc/36/37/85/567363785.db2.gz XPZMOOAJKMTQGX-UHFFFAOYSA-N 1 2 399.292 3.085 10 30 GGEELO Cc1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc(C)[nH+]1 ZINC000592808686 567363876 /nfs/dbraw/zinc/36/38/76/567363876.db2.gz WWOICPMGVDAFJH-UHFFFAOYSA-N 1 2 399.292 3.085 10 30 GGEELO C=CCOCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618525913 567397354 /nfs/dbraw/zinc/39/73/54/567397354.db2.gz JLPXFJAFHZYEPG-KRWDZBQOSA-N 1 2 381.314 3.295 10 30 GGEELO N#Cc1ccnc(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000436002243 567401183 /nfs/dbraw/zinc/40/11/83/567401183.db2.gz PGHSESGEXUJQIT-KRWDZBQOSA-N 1 2 385.265 3.491 10 30 GGEELO N#Cc1cc(Br)ccc1CC(=O)NCCCCNc1cccc[nH+]1 ZINC000593450533 567414228 /nfs/dbraw/zinc/41/42/28/567414228.db2.gz NMWHWAMYFQEDPY-UHFFFAOYSA-N 1 2 387.281 3.267 10 30 GGEELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593483821 567418437 /nfs/dbraw/zinc/41/84/37/567418437.db2.gz JFAIVPQPNOZTKN-UHFFFAOYSA-N 1 2 375.270 3.032 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528637699 567444950 /nfs/dbraw/zinc/44/49/50/567444950.db2.gz FRIGPWRVNFOSDQ-KRWDZBQOSA-N 1 2 379.298 3.074 10 30 GGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528637699 567444953 /nfs/dbraw/zinc/44/49/53/567444953.db2.gz FRIGPWRVNFOSDQ-KRWDZBQOSA-N 1 2 379.298 3.074 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264203 567471289 /nfs/dbraw/zinc/47/12/89/567471289.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264203 567471292 /nfs/dbraw/zinc/47/12/92/567471292.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264203 567471296 /nfs/dbraw/zinc/47/12/96/567471296.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 1 2 398.264 3.245 10 30 GGEELO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264203 567471302 /nfs/dbraw/zinc/47/13/02/567471302.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 1 2 398.264 3.245 10 30 GGEELO C=CCNC(=O)C[NH+]1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000643895863 567524344 /nfs/dbraw/zinc/52/43/44/567524344.db2.gz PYCOXHFAODEDPR-UHFFFAOYSA-N 1 2 376.715 3.067 10 30 GGEELO COC(=O)C[C@](C)([NH2+]Cc1ccc(Br)cc1C#N)c1ccncc1 ZINC000595485801 567568314 /nfs/dbraw/zinc/56/83/14/567568314.db2.gz CZGBRUCVOCUSOA-SFHVURJKSA-N 1 2 388.265 3.284 10 30 GGEELO C[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000553201132 567635201 /nfs/dbraw/zinc/63/52/01/567635201.db2.gz SWVKJMVSGCNIBW-NSHDSACASA-N 1 2 386.721 3.256 10 30 GGEELO C[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)CC[N@H+]1CC(C)(C)O ZINC000553201132 567635208 /nfs/dbraw/zinc/63/52/08/567635208.db2.gz SWVKJMVSGCNIBW-NSHDSACASA-N 1 2 386.721 3.256 10 30 GGEELO C[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000553201130 567635391 /nfs/dbraw/zinc/63/53/91/567635391.db2.gz SWVKJMVSGCNIBW-LLVKDONJSA-N 1 2 386.721 3.256 10 30 GGEELO C[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)CC[N@H+]1CC(C)(C)O ZINC000553201130 567635399 /nfs/dbraw/zinc/63/53/99/567635399.db2.gz SWVKJMVSGCNIBW-LLVKDONJSA-N 1 2 386.721 3.256 10 30 GGEELO Cc1nsc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C#N ZINC000459551017 567635500 /nfs/dbraw/zinc/63/55/00/567635500.db2.gz LMRIPYLBJNKWKO-UHFFFAOYSA-N 1 2 375.885 3.326 10 30 GGEELO Cc1nsc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000459548629 567635719 /nfs/dbraw/zinc/63/57/19/567635719.db2.gz BWOFRMNNNVYTIL-UHFFFAOYSA-N 1 2 375.885 3.326 10 30 GGEELO CCc1ccc(C[NH+]2CCN(C(=O)Nc3snc(C)c3C#N)CC2)s1 ZINC000459594504 567641398 /nfs/dbraw/zinc/64/13/98/567641398.db2.gz WLGYVRRUGFHDBC-UHFFFAOYSA-N 1 2 375.523 3.297 10 30 GGEELO O=S(=O)(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1cccs1 ZINC000441160895 567655701 /nfs/dbraw/zinc/65/57/01/567655701.db2.gz YYOZSFSKSHSIRS-UHFFFAOYSA-N 1 2 394.949 3.196 10 30 GGEELO N#CCc1cc[nH+]c(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000572808954 567667244 /nfs/dbraw/zinc/66/72/44/567667244.db2.gz CBEPEPPMHMXMCA-UHFFFAOYSA-N 1 2 394.172 3.273 10 30 GGEELO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000553897246 567697065 /nfs/dbraw/zinc/69/70/65/567697065.db2.gz DOCDEDNYCQFMIU-UHFFFAOYSA-N 1 2 395.297 3.112 10 30 GGEELO N#Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000554215820 567716525 /nfs/dbraw/zinc/71/65/25/567716525.db2.gz XYPCRMMQJBJVCA-UHFFFAOYSA-N 1 2 376.298 3.155 10 30 GGEELO N#Cc1c(Br)cccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183823 567809555 /nfs/dbraw/zinc/80/95/55/567809555.db2.gz APRJWGBDIUEODC-HNNXBMFYSA-N 1 2 387.281 3.029 10 30 GGEELO N#Cc1c(Br)cccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183823 567809559 /nfs/dbraw/zinc/80/95/59/567809559.db2.gz APRJWGBDIUEODC-HNNXBMFYSA-N 1 2 387.281 3.029 10 30 GGEELO C=CCOc1c(Br)cc(C[N@H+]2CCC(=O)N(C)CC2)cc1OCC ZINC000668621407 567815127 /nfs/dbraw/zinc/81/51/27/567815127.db2.gz HHVNUARTQDRWBM-UHFFFAOYSA-N 1 2 397.313 3.077 10 30 GGEELO C=CCOc1c(Br)cc(C[N@@H+]2CCC(=O)N(C)CC2)cc1OCC ZINC000668621407 567815128 /nfs/dbraw/zinc/81/51/28/567815128.db2.gz HHVNUARTQDRWBM-UHFFFAOYSA-N 1 2 397.313 3.077 10 30 GGEELO CCc1cccc(NC(=NC(=O)c2cccc(C)c2)NCC[NH+]2CCOCC2)c1 ZINC000046134292 570212459 /nfs/dbraw/zinc/21/24/59/570212459.db2.gz NFUJHFRABCPUIF-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO Cc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2cccc(C)c2C)cc1 ZINC000046134636 570212482 /nfs/dbraw/zinc/21/24/82/570212482.db2.gz ZZDUNEIPKHHJCL-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO Cc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)cc2C)c1 ZINC000046133979 570212723 /nfs/dbraw/zinc/21/27/23/570212723.db2.gz FKHGFZRVGIWWEP-UHFFFAOYSA-N 1 2 394.519 3.142 10 30 GGEELO CCc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)cc1 ZINC000046140743 570212987 /nfs/dbraw/zinc/21/29/87/570212987.db2.gz WLSGGYPDCDYZGX-UHFFFAOYSA-N 1 2 394.519 3.088 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000036384994 570657203 /nfs/dbraw/zinc/65/72/03/570657203.db2.gz KFWWLLWYTBNYIA-FQEVSTJZSA-N 1 2 392.503 3.152 10 30 GGEELO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000036384994 570657206 /nfs/dbraw/zinc/65/72/06/570657206.db2.gz KFWWLLWYTBNYIA-FQEVSTJZSA-N 1 2 392.503 3.152 10 30 GGEELO COC(=O)c1sc(N2CC[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C)nc1Cl ZINC000170596347 570854810 /nfs/dbraw/zinc/85/48/10/570854810.db2.gz PYVOSDJSPHOBFM-LBPRGKRZSA-N 1 2 390.896 3.165 10 30 GGEELO COC(=O)c1sc(N2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2C)nc1Cl ZINC000170596347 570854814 /nfs/dbraw/zinc/85/48/14/570854814.db2.gz PYVOSDJSPHOBFM-LBPRGKRZSA-N 1 2 390.896 3.165 10 30 GGEELO CCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000002664377 1398316934 /nfs/dbraw/zinc/31/69/34/1398316934.db2.gz YBBDFCGLBSZGTH-HNAYVOBHSA-N 1 2 394.589 3.237 10 30 GGEELO CCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000002664376 1398317282 /nfs/dbraw/zinc/31/72/82/1398317282.db2.gz YBBDFCGLBSZGTH-DNVCBOLYSA-N 1 2 394.589 3.237 10 30 GGEELO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000063388251 1408347306 /nfs/dbraw/zinc/34/73/06/1408347306.db2.gz AQIIXROURVMXOT-UHFFFAOYSA-N 1 2 393.487 3.222 10 30 GGEELO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000063388251 1408347314 /nfs/dbraw/zinc/34/73/14/1408347314.db2.gz AQIIXROURVMXOT-UHFFFAOYSA-N 1 2 393.487 3.222 10 30 GGEELO Cc1[nH+]c2ccc(C)cn2c1CN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000096822801 1410336521 /nfs/dbraw/zinc/33/65/21/1410336521.db2.gz YPUUJDWRTFVXHA-NTMALXAHSA-N 1 2 399.498 3.180 10 30 GGEELO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)oc1C ZINC000097060778 1410349767 /nfs/dbraw/zinc/34/97/67/1410349767.db2.gz BWXMLOJRHAUZMC-FAGJFJLWSA-N 1 2 389.496 3.126 10 30 GGEELO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)oc1C ZINC000097060778 1410349771 /nfs/dbraw/zinc/34/97/71/1410349771.db2.gz BWXMLOJRHAUZMC-FAGJFJLWSA-N 1 2 389.496 3.126 10 30 GGEELO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000129790311 1416264410 /nfs/dbraw/zinc/26/44/10/1416264410.db2.gz BSFADKFSILHACL-IUODEOHRSA-N 1 2 375.379 3.471 10 30 GGEELO C#CCOc1ccc(C(=O)NC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000161693642 1424742015 /nfs/dbraw/zinc/74/20/15/1424742015.db2.gz BPPGTQLTNSNFQB-UHFFFAOYSA-N 1 2 396.491 3.123 10 30 GGEELO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000174211270 1427053263 /nfs/dbraw/zinc/05/32/63/1427053263.db2.gz FOSDHCVWGXQCHH-HNNXBMFYSA-N 1 2 385.468 3.135 10 30 GGEELO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000174211270 1427053269 /nfs/dbraw/zinc/05/32/69/1427053269.db2.gz FOSDHCVWGXQCHH-HNNXBMFYSA-N 1 2 385.468 3.135 10 30 GGEELO C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246852739 1433678587 /nfs/dbraw/zinc/67/85/87/1433678587.db2.gz AQICDFWDDPYFDA-SWLSCSKDSA-N 1 2 398.410 3.045 10 30 GGEELO