smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc([C@@H](Cn2cc[nH+]c2)OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000000607934 557019183 /nfs/dbraw/zinc/01/91/83/557019183.db2.gz MPIPASJGOJYODL-GOSISDBHSA-N 1 2 416.135 6.455 50 0 world HKAALO Clc1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000607971 557019040 /nfs/dbraw/zinc/01/90/40/557019040.db2.gz BYBLEWFAAKGYCD-GOSISDBHSA-N 1 2 416.135 6.455 50 0 aggregator,fda HKAALO Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)[nH+]c12 ZINC000000629430 557025307 /nfs/dbraw/zinc/02/53/07/557025307.db2.gz KMUUMRFGYDGPTH-UHFFFAOYSA-N 1 2 419.550 5.408 50 0 HKAALO Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)[nH+]c12 ZINC000000629509 557025254 /nfs/dbraw/zinc/02/52/54/557025254.db2.gz SZNDKINBJPRDCP-UHFFFAOYSA-N 1 2 405.523 5.036 50 0 HKAALO Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)[nH+]c12 ZINC000000629593 557025169 /nfs/dbraw/zinc/02/51/69/557025169.db2.gz XRADGNIMKLJGMS-UHFFFAOYSA-N 1 2 413.502 5.264 50 0 HKAALO Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cccc5ccccc54)cc3)[nH+]c12 ZINC000000629600 557025625 /nfs/dbraw/zinc/02/56/25/557025625.db2.gz PSDAGGTXTBNVMB-UHFFFAOYSA-N 1 2 413.502 5.264 50 0 HKAALO COc1ccc2[nH+]c3c(c(NC(=O)c4cccc(Br)c4)c2c1)CCCC3 ZINC000000633157 557028185 /nfs/dbraw/zinc/02/81/85/557028185.db2.gz AOVPJDHHYTYCRH-UHFFFAOYSA-N 1 2 411.299 5.137 50 0 HKAALO Cn1c(COc2ccc(C3CCCCC3)cc2)nn(C[NH+]2CCCCC2)c1=S ZINC000000706647 557064238 /nfs/dbraw/zinc/06/42/38/557064238.db2.gz XEKBYCPBOTYGRI-UHFFFAOYSA-N 1 2 400.592 5.021 50 0 HKAALO CC1CC[NH+](Cn2nc(COc3ccc(C4CCCCC4)cc3)n(C)c2=S)CC1 ZINC000000716352 557068174 /nfs/dbraw/zinc/06/81/74/557068174.db2.gz PFXKZKMVXWUXDR-UHFFFAOYSA-N 1 2 414.619 5.267 50 0 HKAALO COc1ccc([C@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000000720882 557070330 /nfs/dbraw/zinc/07/03/30/557070330.db2.gz NOEUDAKVVNDGJH-HSZRJFAPSA-N 1 2 410.477 5.081 50 0 HKAALO COc1ccc([C@@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000000720883 557070369 /nfs/dbraw/zinc/07/03/69/557070369.db2.gz NOEUDAKVVNDGJH-QHCPKHFHSA-N 1 2 410.477 5.081 50 0 HKAALO c1ccc(-c2nc(Cc3[nH+]c(-c4ccccc4)n4ccccc34)c3ccccn32)cc1 ZINC000000724042 557072165 /nfs/dbraw/zinc/07/21/65/557072165.db2.gz CEZVZBKQMYEUMS-UHFFFAOYSA-N 1 2 400.485 5.907 50 0 HKAALO Cc1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCCC3)n2)cc1Cl ZINC000000756817 568472425 /nfs/dbraw/zinc/47/24/25/568472425.db2.gz QZRPBZGSLLMSRU-UHFFFAOYSA-N 1 2 412.969 5.480 50 0 HKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1 ZINC000000853360 557101916 /nfs/dbraw/zinc/10/19/16/557101916.db2.gz HHQSMFLIIJOTLT-UHFFFAOYSA-N 1 2 401.561 5.123 50 0 HKAALO Cc1[nH+]c2n(Cc3ccccc3)c3ccccc3n2c1[C@H](O)C(Cl)(Cl)Cl ZINC000000854902 559289547 /nfs/dbraw/zinc/28/95/47/559289547.db2.gz SIJGFDNYEZUSDF-KRWDZBQOSA-N 1 2 408.716 5.049 50 0 HKAALO Clc1ccc(CO[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000896740 557113450 /nfs/dbraw/zinc/11/34/50/557113450.db2.gz BYBLEWFAAKGYCD-SFHVURJKSA-N 1 2 416.135 6.455 50 0 aggregator,fda HKAALO c1ccc(CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1 ZINC000000924633 568750706 /nfs/dbraw/zinc/75/07/06/568750706.db2.gz NUVXTBGCEPPRFI-UHFFFAOYSA-N 1 2 411.534 5.221 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccccc2F)c1C ZINC000000935778 568751380 /nfs/dbraw/zinc/75/13/80/568751380.db2.gz GCKAJAMSOVLXAJ-OAQYLSRUSA-N 1 2 421.497 5.946 50 0 HKAALO Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4cc(C)c(C)cc4C)c3)[nH+]c12 ZINC000000936127 568751495 /nfs/dbraw/zinc/75/14/95/568751495.db2.gz QNUFUJHYQAVXFY-UHFFFAOYSA-N 1 2 405.523 5.036 50 0 HKAALO Cc1cccn2cc(-c3ccc(NC(=O)c4ccccc4Br)cc3)[nH+]c12 ZINC000000936134 568751508 /nfs/dbraw/zinc/75/15/08/568751508.db2.gz XUGIXXRHNRJQEN-UHFFFAOYSA-N 1 2 406.283 5.325 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2cccs2)c1C ZINC000000936778 568751519 /nfs/dbraw/zinc/75/15/19/568751519.db2.gz XOLWDIQRUUNPTN-NRFANRHFSA-N 1 2 419.575 6.275 50 0 HKAALO CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000000953670 521574454 /nfs/dbraw/zinc/57/44/54/521574454.db2.gz LOBZAJIPLHAEFS-UHFFFAOYSA-N 1 2 405.498 5.154 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(Br)cc1 ZINC000000953681 557125490 /nfs/dbraw/zinc/12/54/90/557125490.db2.gz PJPTUKUNHOXFFI-UHFFFAOYSA-N 1 2 415.287 5.316 50 0 HKAALO CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc([NH+](C)C)cc1 ZINC000000955747 568757464 /nfs/dbraw/zinc/75/74/64/568757464.db2.gz VCYGCOUFNCWKQX-UHFFFAOYSA-N 1 2 403.404 5.240 50 0 HKAALO CCOC(=O)c1sc2ncnc(Nc3ccc([NH+]4CCC(C)CC4)cc3)c2c1C ZINC000000957763 521620222 /nfs/dbraw/zinc/62/02/22/521620222.db2.gz XPPOJLCRCHHNFI-UHFFFAOYSA-N 1 2 410.543 5.156 50 0 HKAALO CCOC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1c(Cl)cccc1Cl ZINC000001019597 557143583 /nfs/dbraw/zinc/14/35/83/557143583.db2.gz ZZZSLPCOWAYEOF-GOSISDBHSA-N 1 2 402.281 5.195 50 0 HKAALO CCOC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1c(Cl)cccc1Cl ZINC000001019598 557143568 /nfs/dbraw/zinc/14/35/68/557143568.db2.gz ZZZSLPCOWAYEOF-SFHVURJKSA-N 1 2 402.281 5.195 50 0 HKAALO Cc1nc(NCc2ccc(Cl)cc2)c(Oc2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000001047918 557157516 /nfs/dbraw/zinc/15/75/16/557157516.db2.gz OLGOVYYIJSIAQT-UHFFFAOYSA-N 1 2 408.716 6.458 50 0 HKAALO COc1ccc(CNc2nc(C)[nH+]c(C)c2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001047919 557157485 /nfs/dbraw/zinc/15/74/85/557157485.db2.gz YMIYMQBXJASGQU-UHFFFAOYSA-N 1 2 404.297 5.813 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000001068700 557167966 /nfs/dbraw/zinc/16/79/66/557167966.db2.gz IEJYJXLEQUZQJQ-RUZDIDTESA-N 1 2 422.532 6.087 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000001068702 557167877 /nfs/dbraw/zinc/16/78/77/557167877.db2.gz IEJYJXLEQUZQJQ-VWLOTQADSA-N 1 2 422.532 6.087 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000001068727 557167832 /nfs/dbraw/zinc/16/78/32/557167832.db2.gz QMEZZXYJEPZUTG-JOCHJYFZSA-N 1 2 414.896 5.617 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000001068731 557167950 /nfs/dbraw/zinc/16/79/50/557167950.db2.gz QMEZZXYJEPZUTG-QFIPXVFZSA-N 1 2 414.896 5.617 50 0 HKAALO Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3[nH+]c4ccccc4n32)o1 ZINC000001078326 557174678 /nfs/dbraw/zinc/17/46/78/557174678.db2.gz PSWSSZPBBIFOOI-QHCPKHFHSA-N 1 2 412.493 5.482 50 0 HKAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3[nH+]c4ccccc4n32)o1 ZINC000001078329 557174584 /nfs/dbraw/zinc/17/45/84/557174584.db2.gz PSWSSZPBBIFOOI-HSZRJFAPSA-N 1 2 412.493 5.482 50 0 HKAALO CC(=O)Nc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000001108713 557181295 /nfs/dbraw/zinc/18/12/95/557181295.db2.gz ABGAVQUZBDOQJB-UHFFFAOYSA-N 1 2 419.488 5.790 50 0 HKAALO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000001142146 568773920 /nfs/dbraw/zinc/77/39/20/568773920.db2.gz JNGTVRIFPMEDHF-NRFANRHFSA-N 1 2 411.505 5.036 50 0 HKAALO COc1ccc(-c2cc3ccccc3n2C[C@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000001142147 568773907 /nfs/dbraw/zinc/77/39/07/568773907.db2.gz JNGTVRIFPMEDHF-OAQYLSRUSA-N 1 2 411.505 5.036 50 0 HKAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+]4CCc5ccccc5C4)cc3)sc2c1 ZINC000001144455 560180459 /nfs/dbraw/zinc/18/04/59/560180459.db2.gz APXDTKKZIFBNRB-UHFFFAOYSA-N 1 2 413.546 5.269 50 0 biogenic,in-vitro HKAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+]4CCc5ccccc5C4)cc3)sc2c1 ZINC000001144455 560180461 /nfs/dbraw/zinc/18/04/61/560180461.db2.gz APXDTKKZIFBNRB-UHFFFAOYSA-N 1 2 413.546 5.269 50 0 biogenic,in-vitro HKAALO S=c1n(C[NH+]2CCC(c3ccccc3)CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000001147350 557208812 /nfs/dbraw/zinc/20/88/12/557208812.db2.gz LFFZHLQZVQLVRW-UHFFFAOYSA-N 1 2 416.550 5.500 50 0 HKAALO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cc(Br)cs2)[C@H]3CCC1 ZINC000001192591 557236685 /nfs/dbraw/zinc/23/66/85/557236685.db2.gz VHTHNWUOMUUQQZ-FQEVSTJZSA-N 1 2 415.400 6.057 50 0 HKAALO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2cc(Br)cs2)[C@H]3CCC1 ZINC000001192591 557236688 /nfs/dbraw/zinc/23/66/88/557236688.db2.gz VHTHNWUOMUUQQZ-FQEVSTJZSA-N 1 2 415.400 6.057 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1C ZINC000001298119 568913131 /nfs/dbraw/zinc/91/31/31/568913131.db2.gz PGMOVKKQWIMAEY-OAQYLSRUSA-N 1 2 421.497 5.946 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1C ZINC000001298124 568913197 /nfs/dbraw/zinc/91/31/97/568913197.db2.gz PGMOVKKQWIMAEY-NRFANRHFSA-N 1 2 421.497 5.946 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2cccc(F)c2)c1C ZINC000001298133 568913218 /nfs/dbraw/zinc/91/32/18/568913218.db2.gz UZLPXRITVAFZNS-OAQYLSRUSA-N 1 2 421.497 5.946 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2cccc(F)c2)c1C ZINC000001298136 568913237 /nfs/dbraw/zinc/91/32/37/568913237.db2.gz UZLPXRITVAFZNS-NRFANRHFSA-N 1 2 421.497 5.946 50 0 HKAALO O[C@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2[nH+]c1[C@@H]1CC=CCC1 ZINC000001300306 557254270 /nfs/dbraw/zinc/25/42/70/557254270.db2.gz IJQJATJKNDZGBS-NHCUHLMSSA-N 1 2 421.544 6.029 50 0 HKAALO O[C@@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2[nH+]c1[C@H]1CC=CCC1 ZINC000001300307 557254280 /nfs/dbraw/zinc/25/42/80/557254280.db2.gz IJQJATJKNDZGBS-SFTDATJTSA-N 1 2 421.544 6.029 50 0 HKAALO O[C@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2[nH+]c1[C@H]1CC=CCC1 ZINC000001300308 557254259 /nfs/dbraw/zinc/25/42/59/557254259.db2.gz IJQJATJKNDZGBS-LEWJYISDSA-N 1 2 421.544 6.029 50 0 HKAALO Cc1ccc(Br)c2[nH+]c(-c3ccc(F)cc3)c(NCc3ccccc3)n21 ZINC000001304703 557254490 /nfs/dbraw/zinc/25/44/90/557254490.db2.gz UTPQEJGQPWJXQB-UHFFFAOYSA-N 1 2 410.290 5.823 50 0 HKAALO Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)c(C)c1 ZINC000001423369 568938346 /nfs/dbraw/zinc/93/83/46/568938346.db2.gz UPCUHSDARCVHFX-UHFFFAOYSA-N 1 2 405.523 5.036 50 0 HKAALO Cc1ccccc1OCc1nn(C[NH+]2CCCCCC2)c(=S)n1-c1ccccc1 ZINC000001426249 557261778 /nfs/dbraw/zinc/26/17/78/557261778.db2.gz TYMRGTSZMGQKHK-UHFFFAOYSA-N 1 2 408.571 5.124 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1OC ZINC000001447536 557266591 /nfs/dbraw/zinc/26/65/91/557266591.db2.gz BEYASRVRWSLVIM-UHFFFAOYSA-N 1 2 422.488 5.848 50 0 HKAALO COc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000001447569 557266972 /nfs/dbraw/zinc/26/69/72/557266972.db2.gz DKEORSZIBNIVQV-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000001447588 568985446 /nfs/dbraw/zinc/98/54/46/568985446.db2.gz XIOODZBUDRWMFA-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(OC)c2)cc1 ZINC000001447658 557266946 /nfs/dbraw/zinc/26/69/46/557266946.db2.gz GOSBFWNIFZDWRC-UHFFFAOYSA-N 1 2 422.488 5.848 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000001447659 557266899 /nfs/dbraw/zinc/26/68/99/557266899.db2.gz DBJCJVLWLUNOJB-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000001447703 568985650 /nfs/dbraw/zinc/98/56/50/568985650.db2.gz WXNLZRCLKIZONU-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)c1 ZINC000001447704 568985665 /nfs/dbraw/zinc/98/56/65/568985665.db2.gz NVWDXCBJDFFWBM-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2OC)cc1 ZINC000001447728 568985640 /nfs/dbraw/zinc/98/56/40/568985640.db2.gz RFXMXBGCYKSVLQ-UHFFFAOYSA-N 1 2 422.488 5.848 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1-c1ccccc1 ZINC000001510391 569007683 /nfs/dbraw/zinc/00/76/83/569007683.db2.gz BSACGQCGYOOMKJ-UHFFFAOYSA-N 1 2 406.283 5.349 50 0 HKAALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001512701 569009414 /nfs/dbraw/zinc/00/94/14/569009414.db2.gz HHPWQHXESKTGSZ-KRWDZBQOSA-N 1 2 424.331 5.821 50 0 HKAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000001512707 569009381 /nfs/dbraw/zinc/00/93/81/569009381.db2.gz HHPWQHXESKTGSZ-QGZVFWFLSA-N 1 2 424.331 5.821 50 0 HKAALO Clc1ccc(CC[C@@H](Cn2cc[nH+]c2)Sc2c(Cl)cccc2Cl)cc1 ZINC000001530973 557271380 /nfs/dbraw/zinc/27/13/80/557271380.db2.gz SWLMUYACZKCSHZ-INIZCTEOSA-N 1 2 411.785 6.637 50 0 fda HKAALO Clc1ccc(CC[C@H](Cn2cc[nH+]c2)Sc2c(Cl)cccc2Cl)cc1 ZINC000001530974 557271293 /nfs/dbraw/zinc/27/12/93/557271293.db2.gz SWLMUYACZKCSHZ-MRXNPFEDSA-N 1 2 411.785 6.637 50 0 fda HKAALO C[N@H+](CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000001542929 557271851 /nfs/dbraw/zinc/27/18/51/557271851.db2.gz SAPNXPWPAUFAJU-UHFFFAOYSA-N 1 2 418.968 5.782 50 0 world HKAALO C[N@@H+](CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000001542929 557271855 /nfs/dbraw/zinc/27/18/55/557271855.db2.gz SAPNXPWPAUFAJU-UHFFFAOYSA-N 1 2 418.968 5.782 50 0 world HKAALO C[NH+](C)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000001773027 569052462 /nfs/dbraw/zinc/05/24/62/569052462.db2.gz YEOOAMRMUZHOKD-UHFFFAOYSA-N 1 2 409.320 6.413 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001774713 569052518 /nfs/dbraw/zinc/05/25/18/569052518.db2.gz UGJRYSHJTUDCHA-UHFFFAOYSA-N 1 2 405.281 5.861 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001774720 569052525 /nfs/dbraw/zinc/05/25/25/569052525.db2.gz HDKWZAAFGYATIY-UHFFFAOYSA-N 1 2 404.388 5.573 50 0 HKAALO CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(OCC)cc32)cc1 ZINC000001774722 569052512 /nfs/dbraw/zinc/05/25/12/569052512.db2.gz GDLVGIBHOWBVCG-UHFFFAOYSA-N 1 2 422.481 5.121 50 0 HKAALO CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000001774759 132247768 /nfs/dbraw/zinc/24/77/68/132247768.db2.gz XJEGRDZYHGVOFC-UHFFFAOYSA-N 1 2 403.526 5.762 50 0 HKAALO CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3c(C)cc(C)cc23)cc1 ZINC000001774761 568832696 /nfs/dbraw/zinc/83/26/96/568832696.db2.gz OCEPPJKTYMGWHA-UHFFFAOYSA-N 1 2 406.482 5.339 50 0 HKAALO CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3c(C)cc(C)cc23)cc1 ZINC000001774762 568832677 /nfs/dbraw/zinc/83/26/77/568832677.db2.gz QWNRFCYXYGCNDE-UHFFFAOYSA-N 1 2 420.509 5.729 50 0 HKAALO CCCCCCOc1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)cc1 ZINC000001777773 569052549 /nfs/dbraw/zinc/05/25/49/569052549.db2.gz FMBIFTSUGKPJCX-UHFFFAOYSA-N 1 2 406.526 6.423 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000001777775 569052560 /nfs/dbraw/zinc/05/25/60/569052560.db2.gz YMYVAPIPCLBDJZ-UHFFFAOYSA-N 1 2 412.489 6.043 50 0 HKAALO CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)cc1 ZINC000001777782 569052552 /nfs/dbraw/zinc/05/25/52/569052552.db2.gz YWVVRPHRYYIVSQ-UHFFFAOYSA-N 1 2 406.482 5.420 50 0 HKAALO CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000001777848 569052580 /nfs/dbraw/zinc/05/25/80/569052580.db2.gz FTESHYSEGWIYLF-UHFFFAOYSA-N 1 2 419.525 5.544 50 0 HKAALO On1c2ccccc2c([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1-c1ccccc1 ZINC000001796966 569053247 /nfs/dbraw/zinc/05/32/47/569053247.db2.gz KCVCAEJFWRYBMV-RUZDIDTESA-N 1 2 409.464 6.281 50 0 HKAALO On1c2ccccc2c([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1-c1ccccc1 ZINC000001796969 569053271 /nfs/dbraw/zinc/05/32/71/569053271.db2.gz KCVCAEJFWRYBMV-VWLOTQADSA-N 1 2 409.464 6.281 50 0 HKAALO CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000001911117 569058931 /nfs/dbraw/zinc/05/89/31/569058931.db2.gz OBFSKLJWJLJOFE-UHFFFAOYSA-N 1 2 403.526 5.708 50 0 HKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(Nc2ccccc2)cc1 ZINC000001912396 569059224 /nfs/dbraw/zinc/05/92/24/569059224.db2.gz GOEAYEGFUUBESS-UHFFFAOYSA-N 1 2 411.505 6.516 50 0 HKAALO Cc1ccccc1-c1nc2cc(/[NH+]=C/C=C/c3cccc(Br)c3)ccc2o1 ZINC000001922373 559274323 /nfs/dbraw/zinc/27/43/23/559274323.db2.gz XOSOGOXPKHHJQK-UAPAKVGBSA-N 1 2 417.306 6.981 50 0 HKAALO C[NH+](C)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002030563 569070049 /nfs/dbraw/zinc/07/00/49/569070049.db2.gz JJYDNWTWWOKIFU-UHFFFAOYSA-N 1 2 416.528 6.334 50 0 HKAALO CC[NH+](CC)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002063989 557305254 /nfs/dbraw/zinc/30/52/54/557305254.db2.gz RXDCRKLKNLJLKJ-UHFFFAOYSA-N 1 2 402.361 6.162 50 0 HKAALO CC1CC[NH+](Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3ccccc3)c2=S)CC1 ZINC000002188986 557324891 /nfs/dbraw/zinc/32/48/91/557324891.db2.gz PTVGDPVXULAUDJ-UHFFFAOYSA-N 1 2 420.626 6.057 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(OC(F)(F)Cl)cc1 ZINC000002190419 569293834 /nfs/dbraw/zinc/29/38/34/569293834.db2.gz UUSPXZAVUFAEOT-UHFFFAOYSA-N 1 2 422.815 5.332 50 0 HKAALO Cc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000002194348 569294135 /nfs/dbraw/zinc/29/41/35/569294135.db2.gz VBJCAQPVDRHUSV-RBBKRZOGSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000002194351 569294208 /nfs/dbraw/zinc/29/42/08/569294208.db2.gz VBJCAQPVDRHUSV-UNMCSNQZSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000002194354 569294105 /nfs/dbraw/zinc/29/41/05/569294105.db2.gz VBJCAQPVDRHUSV-IFMALSPDSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000002194355 569294153 /nfs/dbraw/zinc/29/41/53/569294153.db2.gz VBJCAQPVDRHUSV-IRLDBZIGSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1cccn2cc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)[nH+]c12 ZINC000002199872 569294897 /nfs/dbraw/zinc/29/48/97/569294897.db2.gz YUYOCXNXOUOXFT-UHFFFAOYSA-N 1 2 406.283 5.325 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002224624 569313477 /nfs/dbraw/zinc/31/34/77/569313477.db2.gz DPYZNRNCBBPIGZ-UHFFFAOYSA-N 1 2 401.322 5.723 50 0 HKAALO Clc1ccc2c(c1)C1=C([C@H](c3cccs3)N3NC=NC3=[NH+]1)[C@H](c1ccccc1)O2 ZINC000002256640 557331837 /nfs/dbraw/zinc/33/18/37/557331837.db2.gz MKAZSGCJLVNLBJ-SFTDATJTSA-N 1 2 418.909 5.206 50 0 HKAALO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002256641 557331885 /nfs/dbraw/zinc/33/18/85/557331885.db2.gz MKAZSGCJLVNLBJ-LEWJYISDSA-N 1 2 418.909 5.206 50 0 HKAALO Clc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002256642 557331865 /nfs/dbraw/zinc/33/18/65/557331865.db2.gz MKAZSGCJLVNLBJ-RTWAWAEBSA-N 1 2 418.909 5.206 50 0 HKAALO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002256643 557332142 /nfs/dbraw/zinc/33/21/42/557332142.db2.gz MKAZSGCJLVNLBJ-NHCUHLMSSA-N 1 2 418.909 5.206 50 0 HKAALO CC(C)(C)c1ccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 ZINC000002290437 569368992 /nfs/dbraw/zinc/36/89/92/569368992.db2.gz PROWRXNJFRKDKR-UHFFFAOYSA-N 1 2 421.610 6.082 50 0 HKAALO c1[nH+]c2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1-c1ccccc1 ZINC000002299516 569369959 /nfs/dbraw/zinc/36/99/59/569369959.db2.gz BGBFOSNZAXCYIN-UHFFFAOYSA-N 1 2 413.484 6.379 50 0 HKAALO Cc1cc(-c2ccccc2)nn1-c1c(F)c(F)c(C[NH+]2CCCCC2)c(F)c1F ZINC000002311254 569373895 /nfs/dbraw/zinc/37/38/95/569373895.db2.gz FUEACBYYYZBPQM-UHFFFAOYSA-N 1 2 403.423 5.390 50 0 HKAALO CC[NH+](CC)c1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000002336338 557338287 /nfs/dbraw/zinc/33/82/87/557338287.db2.gz GDWFDWSGXBBQTQ-XMMPIXPASA-N 1 2 418.566 5.522 50 0 HKAALO CC[NH+](CC)c1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 ZINC000002336341 557338246 /nfs/dbraw/zinc/33/82/46/557338246.db2.gz GDWFDWSGXBBQTQ-DEOSSOPVSA-N 1 2 418.566 5.522 50 0 HKAALO Cc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000002343842 569376530 /nfs/dbraw/zinc/37/65/30/569376530.db2.gz UKYRWTJOKZXHAC-RBBKRZOGSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000002343845 569376474 /nfs/dbraw/zinc/37/64/74/569376474.db2.gz UKYRWTJOKZXHAC-UNMCSNQZSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000002343848 569376525 /nfs/dbraw/zinc/37/65/25/569376525.db2.gz UKYRWTJOKZXHAC-IFMALSPDSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000002343851 569376487 /nfs/dbraw/zinc/37/64/87/569376487.db2.gz UKYRWTJOKZXHAC-IRLDBZIGSA-N 1 2 418.338 6.254 50 0 HKAALO COc1ccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCCO)cc1 ZINC000002349358 569380679 /nfs/dbraw/zinc/38/06/79/569380679.db2.gz ZILOUPJAOHLEMJ-UHFFFAOYSA-N 1 2 423.516 5.528 50 0 HKAALO O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@@H]1[NH+]1CCCCC1 ZINC000002352719 569383243 /nfs/dbraw/zinc/38/32/43/569383243.db2.gz WADJIXHIJZUNAV-OALUTQOASA-N 1 2 419.750 5.041 50 0 HKAALO O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@@H]1[NH+]1CCCCC1 ZINC000002352720 569383238 /nfs/dbraw/zinc/38/32/38/569383238.db2.gz WADJIXHIJZUNAV-MOPGFXCFSA-N 1 2 419.750 5.041 50 0 HKAALO O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@H]1[NH+]1CCCCC1 ZINC000002352721 569383241 /nfs/dbraw/zinc/38/32/41/569383241.db2.gz WADJIXHIJZUNAV-RBUKOAKNSA-N 1 2 419.750 5.041 50 0 HKAALO O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@H]1[NH+]1CCCCC1 ZINC000002352722 569383192 /nfs/dbraw/zinc/38/31/92/569383192.db2.gz WADJIXHIJZUNAV-RTBURBONSA-N 1 2 419.750 5.041 50 0 HKAALO c1nn(-c2ccccc2)c2nc[nH+]c(NCCC(c3ccccc3)c3ccccc3)c12 ZINC000002370418 569388792 /nfs/dbraw/zinc/38/87/92/569388792.db2.gz TUKLULLAYDENJU-UHFFFAOYSA-N 1 2 405.505 5.450 50 0 HKAALO COc1ccc(-n2ncc3c2nc[nH+]c3NC(c2ccccc2)c2ccccc2)cc1 ZINC000002376050 569389396 /nfs/dbraw/zinc/38/93/96/569389396.db2.gz HZYKZAHORYGYJZ-UHFFFAOYSA-N 1 2 407.477 5.026 50 0 HKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccc3ccccc32)cc1 ZINC000002442636 569400844 /nfs/dbraw/zinc/40/08/44/569400844.db2.gz IMAQFUTWJBPANH-UHFFFAOYSA-N 1 2 402.910 5.914 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2c(Cl)cccc2Cl)cc1 ZINC000002446752 569401442 /nfs/dbraw/zinc/40/14/42/569401442.db2.gz BJXQTWRCFKLYCI-UHFFFAOYSA-N 1 2 401.322 5.723 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(Cl)cc2Cl)cc1 ZINC000002447002 569401416 /nfs/dbraw/zinc/40/14/16/569401416.db2.gz QENOSPOMYYUFCB-UHFFFAOYSA-N 1 2 401.322 5.723 50 0 HKAALO Clc1cccc(Cl)c1CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000002450313 569403872 /nfs/dbraw/zinc/40/38/72/569403872.db2.gz KQEAMBXTRMFPBQ-UHFFFAOYSA-N 1 2 401.322 5.474 50 0 HKAALO Clc1ccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c(Cl)c1 ZINC000002452031 569405620 /nfs/dbraw/zinc/40/56/20/569405620.db2.gz CYAAAPHILYRMGH-UHFFFAOYSA-N 1 2 401.322 5.474 50 0 HKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3SCc2c(Cl)cccc2Cl)cc1 ZINC000002452570 569405385 /nfs/dbraw/zinc/40/53/85/569405385.db2.gz JTRCJGDWHYKPAF-UHFFFAOYSA-N 1 2 421.740 6.068 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccc(Br)o3)cc12 ZINC000002455906 132254830 /nfs/dbraw/zinc/25/48/30/132254830.db2.gz PUURRSXLWPIVCO-UHFFFAOYSA-N 1 2 414.303 5.141 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2ccccc2)c1C ZINC000002546349 568781982 /nfs/dbraw/zinc/78/19/82/568781982.db2.gz UUSXKZKXEALSOB-HSZRJFAPSA-N 1 2 413.546 6.214 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2ccccc2)c1C ZINC000002546354 568782061 /nfs/dbraw/zinc/78/20/61/568782061.db2.gz UUSXKZKXEALSOB-QHCPKHFHSA-N 1 2 413.546 6.214 50 0 HKAALO NC(COc1ccc(Cl)cc1Cl)=[NH+]Nc1ncc(C(F)(F)F)cc1Cl ZINC000002557488 559189568 /nfs/dbraw/zinc/18/95/68/559189568.db2.gz BHZGMBDAKNWMNN-UHFFFAOYSA-N 1 2 413.614 5.033 50 0 HKAALO CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1ccccc1[PH+]1[C@H](C(C)C)CC[C@H]1C(C)C ZINC000002584044 557358369 /nfs/dbraw/zinc/35/83/69/557358369.db2.gz RBVGOQHQBUPSGX-ZJZGAYNASA-N 1 2 418.586 7.587 50 0 HKAALO CC(C)[C@H]1CC[C@H](C(C)C)P1c1ccccc1[PH+]1[C@@H](C(C)C)CC[C@@H]1C(C)C ZINC000002584045 557358321 /nfs/dbraw/zinc/35/83/21/557358321.db2.gz RBVGOQHQBUPSGX-MOUTVQLLSA-N 1 2 418.586 7.587 50 0 HKAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000002621393 560586113 /nfs/dbraw/zinc/58/61/13/560586113.db2.gz UHJOSYXJBSORBS-UHFFFAOYSA-N 1 2 414.549 5.286 50 0 HKAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000002621393 560586115 /nfs/dbraw/zinc/58/61/15/560586115.db2.gz UHJOSYXJBSORBS-UHFFFAOYSA-N 1 2 414.549 5.286 50 0 HKAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S ZINC000002655469 568797643 /nfs/dbraw/zinc/79/76/43/568797643.db2.gz SZWBMYOHUKMTHH-UHFFFAOYSA-N 1 2 421.957 5.208 50 0 HKAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S ZINC000002655469 568797644 /nfs/dbraw/zinc/79/76/44/568797644.db2.gz SZWBMYOHUKMTHH-UHFFFAOYSA-N 1 2 421.957 5.208 50 0 HKAALO O=c1nc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000002660635 568799015 /nfs/dbraw/zinc/79/90/15/568799015.db2.gz OUFZBOFYHZRWCH-UHFFFAOYSA-N 1 2 421.591 5.168 50 0 HKAALO Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH+]c12 ZINC000002697186 557741549 /nfs/dbraw/zinc/74/15/49/557741549.db2.gz XLEUFPPAUFRNAH-UHFFFAOYSA-N 1 2 406.283 5.325 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)c3ccccc3Br)ccc2n1-c1ccccc1 ZINC000002699338 568801417 /nfs/dbraw/zinc/80/14/17/568801417.db2.gz CGNZNUZQPYVILH-UHFFFAOYSA-N 1 2 406.283 5.349 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccccc2)c1C ZINC000002709613 557369628 /nfs/dbraw/zinc/36/96/28/557369628.db2.gz GFNFWIFDCQRLCA-OAQYLSRUSA-N 1 2 403.507 5.807 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccccc2)c1C ZINC000002709617 557369669 /nfs/dbraw/zinc/36/96/69/557369669.db2.gz GFNFWIFDCQRLCA-NRFANRHFSA-N 1 2 403.507 5.807 50 0 HKAALO CCc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002713987 557749039 /nfs/dbraw/zinc/74/90/39/557749039.db2.gz VAJBOVUPHYKVRY-UHFFFAOYSA-N 1 2 408.480 6.533 50 0 HKAALO CN(C)c1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002713990 557749116 /nfs/dbraw/zinc/74/91/16/557749116.db2.gz NGEJLJXEAFEQOI-UHFFFAOYSA-N 1 2 423.495 6.036 50 0 HKAALO COc1ccc(C)cc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714015 568802325 /nfs/dbraw/zinc/80/23/25/568802325.db2.gz ZSSGQEUKXZXCIB-UHFFFAOYSA-N 1 2 424.479 6.287 50 0 HKAALO CC(C)c1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002714017 557749160 /nfs/dbraw/zinc/74/91/60/557749160.db2.gz GYTVRSGNLJCPDD-UHFFFAOYSA-N 1 2 422.507 7.094 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002714041 568802369 /nfs/dbraw/zinc/80/23/69/568802369.db2.gz ICWRHCRDWYTESD-UHFFFAOYSA-N 1 2 410.452 5.979 50 0 HKAALO CCOc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714067 568802320 /nfs/dbraw/zinc/80/23/20/568802320.db2.gz URWKYFVYEMZBAI-UHFFFAOYSA-N 1 2 406.489 6.230 50 0 HKAALO CCOc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714085 557749154 /nfs/dbraw/zinc/74/91/54/557749154.db2.gz AXVAJGJYUQETCB-UHFFFAOYSA-N 1 2 406.489 6.230 50 0 HKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2C)cc1Cl ZINC000002714237 568802277 /nfs/dbraw/zinc/80/22/77/568802277.db2.gz CBZUXORJPPCOGN-UHFFFAOYSA-N 1 2 424.935 7.101 50 0 HKAALO Cc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 ZINC000002714238 557749163 /nfs/dbraw/zinc/74/91/63/557749163.db2.gz SMCMWOXMROJMEB-UHFFFAOYSA-N 1 2 424.935 7.101 50 0 HKAALO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cc(C)cc(C)c2)c1 ZINC000002714293 557749062 /nfs/dbraw/zinc/74/90/62/557749062.db2.gz ARCHQAUGXAXINQ-UHFFFAOYSA-N 1 2 404.517 6.756 50 0 HKAALO CCOc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002714295 557749168 /nfs/dbraw/zinc/74/91/68/557749168.db2.gz RRKCMVJJPKYCRA-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO CCOc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002714314 557749089 /nfs/dbraw/zinc/74/90/89/557749089.db2.gz SUWUGJCXWJUHPA-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO CCOc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000002714316 557749499 /nfs/dbraw/zinc/74/94/99/557749499.db2.gz DKNYDYZNLKLCAP-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cc(C)cc(C)c2)cc1 ZINC000002714346 557749400 /nfs/dbraw/zinc/74/94/00/557749400.db2.gz NYWDARLRVSHMEY-UHFFFAOYSA-N 1 2 404.517 6.756 50 0 HKAALO CCc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000002714349 557749442 /nfs/dbraw/zinc/74/94/42/557749442.db2.gz GUTGPGZXVWOQON-UHFFFAOYSA-N 1 2 404.517 6.702 50 0 HKAALO Cc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000002714471 557749462 /nfs/dbraw/zinc/74/94/62/557749462.db2.gz SGMZRFRRHJSMJC-UHFFFAOYSA-N 1 2 410.908 6.793 50 0 HKAALO Cc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714634 557749729 /nfs/dbraw/zinc/74/97/29/557749729.db2.gz MUAQVYIZVCMFHN-UHFFFAOYSA-N 1 2 410.908 6.793 50 0 HKAALO Fc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000002714637 557749786 /nfs/dbraw/zinc/74/97/86/557749786.db2.gz MIMWZCNDZSOGFY-UHFFFAOYSA-N 1 2 414.871 6.624 50 0 HKAALO Cc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000002714649 557749697 /nfs/dbraw/zinc/74/96/97/557749697.db2.gz UXLDRYJFKMMCCR-UHFFFAOYSA-N 1 2 410.908 6.793 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2C)cc1 ZINC000002714700 557749744 /nfs/dbraw/zinc/74/97/44/557749744.db2.gz JUKBTOWNPDRROX-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(C)cc2)cc1 ZINC000002714710 557749667 /nfs/dbraw/zinc/74/96/67/557749667.db2.gz RYYBBPABLRANOW-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(C)c2)cc1 ZINC000002714713 557749836 /nfs/dbraw/zinc/74/98/36/557749836.db2.gz YCGJHKDKZRPIIT-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO CCOc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714755 568802358 /nfs/dbraw/zinc/80/23/58/568802358.db2.gz DQHYXSHLCWPYDZ-UHFFFAOYSA-N 1 2 424.479 6.369 50 0 HKAALO CCOc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002714758 557749824 /nfs/dbraw/zinc/74/98/24/557749824.db2.gz YZSLKVIXMSYVPF-UHFFFAOYSA-N 1 2 424.479 6.369 50 0 HKAALO COc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000002714770 557749649 /nfs/dbraw/zinc/74/96/49/557749649.db2.gz BXHIHFKVBWPADI-UHFFFAOYSA-N 1 2 410.452 5.979 50 0 HKAALO COc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714772 557749712 /nfs/dbraw/zinc/74/97/12/557749712.db2.gz WNNXTZZGZNJLPI-UHFFFAOYSA-N 1 2 410.452 5.979 50 0 HKAALO CN(C)c1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714818 568802345 /nfs/dbraw/zinc/80/23/45/568802345.db2.gz KHVXGTSZHPZWED-UHFFFAOYSA-N 1 2 405.505 5.897 50 0 HKAALO CC(C)c1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714824 557749802 /nfs/dbraw/zinc/74/98/02/557749802.db2.gz INNRMBNSKIJUSH-UHFFFAOYSA-N 1 2 404.517 6.955 50 0 HKAALO CCOc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000002714935 557749634 /nfs/dbraw/zinc/74/96/34/557749634.db2.gz ZAZSOPVTWSFCOA-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO COc1ccc(C)cc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002714972 557750029 /nfs/dbraw/zinc/75/00/29/557750029.db2.gz LWDFBZOLAPHCBK-UHFFFAOYSA-N 1 2 420.516 6.457 50 0 aggregator HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(C)c(C)c2)cc1 ZINC000002715171 557750005 /nfs/dbraw/zinc/75/00/05/557750005.db2.gz GWJCNZGELFLQHE-UHFFFAOYSA-N 1 2 420.516 6.457 50 0 HKAALO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(C)cc2)cc1 ZINC000002715225 557750016 /nfs/dbraw/zinc/75/00/16/557750016.db2.gz WPGMNPHULKKSBC-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(F)cc2)cc1 ZINC000002715247 568802565 /nfs/dbraw/zinc/80/25/65/568802565.db2.gz MTPRIWAXSQAJSW-UHFFFAOYSA-N 1 2 424.479 6.369 50 0 HKAALO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2C)cc1 ZINC000002715257 568802511 /nfs/dbraw/zinc/80/25/11/568802511.db2.gz FNGVHDOEUBJWPG-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(F)c2)cc1 ZINC000002715272 557750024 /nfs/dbraw/zinc/75/00/24/557750024.db2.gz VGZVSRJMIBESRS-UHFFFAOYSA-N 1 2 424.479 6.369 50 0 HKAALO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccccc2)cc1 ZINC000002715283 568802620 /nfs/dbraw/zinc/80/26/20/568802620.db2.gz MPXPBBXILXSFNS-UHFFFAOYSA-N 1 2 406.489 6.230 50 0 HKAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)c(C)c1 ZINC000002886696 557422462 /nfs/dbraw/zinc/42/24/62/557422462.db2.gz LTRLRNKFEDOJRZ-UHFFFAOYSA-N 1 2 419.554 5.197 50 0 HKAALO O=c1c2sc3ccccc3c2[nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000002961709 568830467 /nfs/dbraw/zinc/83/04/67/568830467.db2.gz CEXWJKVPPBNPKO-UHFFFAOYSA-N 1 2 407.564 5.111 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cccc(F)c2)cc1 ZINC000002974689 568832334 /nfs/dbraw/zinc/83/23/34/568832334.db2.gz VTUXSMLDTUFVEQ-UHFFFAOYSA-N 1 2 410.452 5.979 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(F)cc2)cc1 ZINC000002974690 557776129 /nfs/dbraw/zinc/77/61/29/557776129.db2.gz SOCNKYFPMQDJJW-UHFFFAOYSA-N 1 2 410.452 5.979 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 ZINC000002974692 569322631 /nfs/dbraw/zinc/32/26/31/569322631.db2.gz OQCCIIGDBXAFJZ-UHFFFAOYSA-N 1 2 422.488 5.848 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(C)cc2C)cc1 ZINC000002974698 569322705 /nfs/dbraw/zinc/32/27/05/569322705.db2.gz GRAVIJHZQCSQOB-UHFFFAOYSA-N 1 2 420.516 6.457 50 0 HKAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(N(C)C)cc2)cc1 ZINC000002974784 557776296 /nfs/dbraw/zinc/77/62/96/557776296.db2.gz GOSBYDIEAITURB-UHFFFAOYSA-N 1 2 419.532 6.206 50 0 HKAALO Cc1ccccc1Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002974928 569322748 /nfs/dbraw/zinc/32/27/48/569322748.db2.gz RSXVVJAUAPZTFT-UHFFFAOYSA-N 1 2 410.908 6.793 50 0 HKAALO CCc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002974930 557776309 /nfs/dbraw/zinc/77/63/09/557776309.db2.gz ZSCBRRKTRKNSGN-UHFFFAOYSA-N 1 2 424.935 7.047 50 0 HKAALO Fc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000002974931 557776318 /nfs/dbraw/zinc/77/63/18/557776318.db2.gz MFSNYJJCXWMVIZ-UHFFFAOYSA-N 1 2 414.871 6.624 50 0 HKAALO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(C(C)C)cc2)c1 ZINC000002974938 568832291 /nfs/dbraw/zinc/83/22/91/568832291.db2.gz LXHDIFFDUJIXEB-UHFFFAOYSA-N 1 2 418.544 7.263 50 0 HKAALO Cc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000002974959 568832275 /nfs/dbraw/zinc/83/22/75/568832275.db2.gz VVUUHABYJVPEIO-UHFFFAOYSA-N 1 2 424.935 7.101 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(C)c1 ZINC000003039295 568846303 /nfs/dbraw/zinc/84/63/03/568846303.db2.gz NKQQYFJWOIZCDL-UHFFFAOYSA-N 1 2 423.560 5.857 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(C)c1 ZINC000003039295 568846304 /nfs/dbraw/zinc/84/63/04/568846304.db2.gz NKQQYFJWOIZCDL-UHFFFAOYSA-N 1 2 423.560 5.857 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccc(C)c1 ZINC000003044515 568848385 /nfs/dbraw/zinc/84/83/85/568848385.db2.gz RGTFMYCQUDXOEZ-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccc(C)c1 ZINC000003044515 568848387 /nfs/dbraw/zinc/84/83/87/568848387.db2.gz RGTFMYCQUDXOEZ-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1cccc(C)c1 ZINC000003044772 568848579 /nfs/dbraw/zinc/84/85/79/568848579.db2.gz DLCJOQJVLKOELZ-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1cccc(C)c1 ZINC000003044772 568848580 /nfs/dbraw/zinc/84/85/80/568848580.db2.gz DLCJOQJVLKOELZ-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO C[NH+](C)Cc1cc(C(C)(C)C)c(OC(=O)NC(=O)c2ccccc2)c(C(C)(C)C)c1 ZINC000003073673 558257536 /nfs/dbraw/zinc/25/75/36/558257536.db2.gz RZIFQUHRIVOYRU-UHFFFAOYSA-N 1 2 410.558 5.272 50 0 HKAALO Fc1cccc(Cl)c1CSC1=[NH+]CN(Cc2c(Cl)cccc2Cl)CN1 ZINC000003127027 557449009 /nfs/dbraw/zinc/44/90/09/557449009.db2.gz NDXFHMANFDFYJU-UHFFFAOYSA-N 1 2 418.752 5.396 50 0 HKAALO Cc1cc(-c2c(N)nc(-c3ccccc3)[nH+]c2C)nc2nc(-c3ccccc3)nc(C)c12 ZINC000003169309 560893346 /nfs/dbraw/zinc/89/33/46/560893346.db2.gz ZOTJTSCHHATPCM-UHFFFAOYSA-N 1 2 418.504 5.323 50 0 HKAALO CC(C)[NH+](Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S)C(C)C ZINC000003221940 568863481 /nfs/dbraw/zinc/86/34/81/568863481.db2.gz MGVGBIUPIFRESC-UHFFFAOYSA-N 1 2 401.967 5.195 50 0 HKAALO O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000003236600 568865762 /nfs/dbraw/zinc/86/57/62/568865762.db2.gz DVPIVUGZQPADEG-UHFFFAOYSA-N 1 2 404.297 5.087 50 0 HKAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000003241370 568866414 /nfs/dbraw/zinc/86/64/14/568866414.db2.gz GTFGNMZOJWMSTK-ZDUSSCGKSA-N 1 2 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ZINC000003292566 568852711 /nfs/dbraw/zinc/85/27/11/568852711.db2.gz UWGLQBONUBSTBJ-UHFFFAOYSA-N 1 2 405.567 5.251 50 0 HKAALO COc1cc2c(cc1NC(=O)C[N@H+]1CC=C(c3ccccc3)CC1)oc1ccccc12 ZINC000003323710 568880817 /nfs/dbraw/zinc/88/08/17/568880817.db2.gz SKIGKTRXACCCQJ-UHFFFAOYSA-N 1 2 412.489 5.322 50 0 HKAALO COc1cc2c(cc1NC(=O)C[N@@H+]1CC=C(c3ccccc3)CC1)oc1ccccc12 ZINC000003323710 568880818 /nfs/dbraw/zinc/88/08/18/568880818.db2.gz SKIGKTRXACCCQJ-UHFFFAOYSA-N 1 2 412.489 5.322 50 0 HKAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003336072 568882736 /nfs/dbraw/zinc/88/27/36/568882736.db2.gz PPXQLPZCLIANCP-UHFFFAOYSA-N 1 2 424.548 6.145 50 0 HKAALO COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000003339949 568883460 /nfs/dbraw/zinc/88/34/60/568883460.db2.gz ODFKTWYRVDKYLP-QFIPXVFZSA-N 1 2 413.945 5.221 50 0 HKAALO COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000003339951 568883576 /nfs/dbraw/zinc/88/35/76/568883576.db2.gz 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6.047 50 0 HKAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000004122927 557516974 /nfs/dbraw/zinc/51/69/74/557516974.db2.gz YPRQXDNKJQTMFJ-UHFFFAOYSA-N 1 2 413.525 5.136 50 0 HKAALO CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc([NH+](CC)CC)cc3)n2)s1 ZINC000004139488 557519294 /nfs/dbraw/zinc/51/92/94/557519294.db2.gz JEJLTEKOGKEVLK-UHFFFAOYSA-N 1 2 415.588 5.513 50 0 HKAALO COc1cc(CNc2ccc([NH+]3CCCC3)cc2)ccc1OCc1ccccc1F ZINC000004148486 557520304 /nfs/dbraw/zinc/52/03/04/557520304.db2.gz QKTUUPCFPKVPHG-UHFFFAOYSA-N 1 2 406.501 5.626 50 0 aggregator HKAALO COc1ccccc1-c1[nH+]c2ccc(Br)cn2c1NC1CCCCC1 ZINC000004155350 568947139 /nfs/dbraw/zinc/94/71/39/568947139.db2.gz QMSZBPLBDCLCBG-UHFFFAOYSA-N 1 2 400.320 5.517 50 0 HKAALO Cc1ccc(-c2[nH+]c3c(OCc4ccccc4)cccn3c2NC2CCCCC2)cc1 ZINC000004157614 568947100 /nfs/dbraw/zinc/94/71/00/568947100.db2.gz XRMZOJCCZIPXPB-UHFFFAOYSA-N 1 2 411.549 6.633 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000004192448 568950396 /nfs/dbraw/zinc/95/03/96/568950396.db2.gz BWWYBCGISXLAIG-UHFFFAOYSA-N 1 2 404.388 5.573 50 0 HKAALO On1c2ccccc2c([C@@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)c1-c1ccccc1 ZINC000004247764 568953559 /nfs/dbraw/zinc/95/35/59/568953559.db2.gz UJCOMVGWPUDIGZ-XMMPIXPASA-N 1 2 418.924 5.621 50 0 HKAALO On1c2ccccc2c([C@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)c1-c1ccccc1 ZINC000004247765 568953509 /nfs/dbraw/zinc/95/35/09/568953509.db2.gz UJCOMVGWPUDIGZ-DEOSSOPVSA-N 1 2 418.924 5.621 50 0 HKAALO CCCCN(CCCC)c1cccc(-c2cccc([NH+](CCCC)CCCC)c2)c1 ZINC000004253065 557532498 /nfs/dbraw/zinc/53/24/98/557532498.db2.gz GDHSTCRCGOXGSB-UHFFFAOYSA-N 1 2 408.674 8.167 50 0 HKAALO Fc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000004299384 557537446 /nfs/dbraw/zinc/53/74/46/557537446.db2.gz CFRUILDDWJJURK-UHFFFAOYSA-N 1 2 412.361 5.037 50 0 HKAALO Fc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000004299384 557537450 /nfs/dbraw/zinc/53/74/50/557537450.db2.gz CFRUILDDWJJURK-UHFFFAOYSA-N 1 2 412.361 5.037 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)N1CCC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC000004299389 557537519 /nfs/dbraw/zinc/53/75/19/557537519.db2.gz SUMPVODHOIGDDC-UHFFFAOYSA-N 1 2 410.320 5.181 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)N1CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC000004299389 557537523 /nfs/dbraw/zinc/53/75/23/557537523.db2.gz SUMPVODHOIGDDC-UHFFFAOYSA-N 1 2 410.320 5.181 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2cccs2)c1C ZINC000004305832 568960439 /nfs/dbraw/zinc/96/04/39/568960439.db2.gz XOLWDIQRUUNPTN-OAQYLSRUSA-N 1 2 419.575 6.275 50 0 HKAALO COc1ccc2c(c1)nc(SCc1cn3cc(C)ccc3[nH+]1)cc2C(F)(F)F ZINC000004317854 568962605 /nfs/dbraw/zinc/96/26/05/568962605.db2.gz BTROIOHMOXWYSH-UHFFFAOYSA-N 1 2 403.429 5.511 50 0 HKAALO FC(F)(F)c1cc(/C=C/c2noc(C[NH+]3CCCCC3)n2)cc(C(F)(F)F)c1 ZINC000004322724 557540969 /nfs/dbraw/zinc/54/09/69/557540969.db2.gz WHEMCFNNSKYJLX-SNAWJCMRSA-N 1 2 405.342 5.264 50 0 HKAALO CC(C)(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000004324671 557541538 /nfs/dbraw/zinc/54/15/38/557541538.db2.gz XWDQIVXRTZYJFE-UHFFFAOYSA-N 1 2 417.956 5.563 50 0 HKAALO C[NH+](C)c1ccc(Nc2nc(-c3ccccc3)c(C(=O)c3ccc(F)cc3)s2)cc1 ZINC000004334712 557543028 /nfs/dbraw/zinc/54/30/28/557543028.db2.gz SQRCRYYEXYWVOE-UHFFFAOYSA-N 1 2 417.509 5.990 50 0 HKAALO Cc1ccc(/C=C(\NC(=O)c2ccccc2)c2[nH]c3c([nH+]2)c(C)c(C)c(C)c3C)cc1 ZINC000004337403 557543678 /nfs/dbraw/zinc/54/36/78/557543678.db2.gz QFJVQBNUFCFMMC-HAHDFKILSA-N 1 2 409.533 6.033 50 0 HKAALO COc1cccc(-c2[nH+]c3c(OCc4ccccc4)cccn3c2NC(C)(C)C)c1 ZINC000004382624 558484217 /nfs/dbraw/zinc/48/42/17/558484217.db2.gz KQBVLSBANKQHIH-UHFFFAOYSA-N 1 2 401.510 5.799 50 0 HKAALO Cc1cccc(C)c1Nc1c(-c2ccc(C(C)(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004382922 558484180 /nfs/dbraw/zinc/48/41/80/558484180.db2.gz HXCUMEIDQNWMOB-UHFFFAOYSA-N 1 2 403.957 7.313 50 0 HKAALO O=C(CCCOc1ccc(Cl)cc1Cl)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000004438441 558559732 /nfs/dbraw/zinc/55/97/32/558559732.db2.gz CRILVUHALZGQCT-UHFFFAOYSA-N 1 2 415.320 5.828 50 0 HKAALO Cn1cc[nH+]c1/C=C(\OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000004477034 558598114 /nfs/dbraw/zinc/59/81/14/558598114.db2.gz IVZBPGCHFUDYTO-NKFKGCMQSA-N 1 2 416.565 6.370 50 0 HKAALO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000004490668 558609293 /nfs/dbraw/zinc/60/92/93/558609293.db2.gz PBKFXCWTNCGSQP-UHFFFAOYSA-N 1 2 422.544 5.211 50 0 HKAALO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000004490668 558609295 /nfs/dbraw/zinc/60/92/95/558609295.db2.gz PBKFXCWTNCGSQP-UHFFFAOYSA-N 1 2 422.544 5.211 50 0 HKAALO C[C@@H](c1nnc(SCc2cccc3ccccc32)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490744 560859482 /nfs/dbraw/zinc/85/94/82/560859482.db2.gz YSVPGLPQKVMZSD-INIZCTEOSA-N 1 2 406.530 5.475 50 0 HKAALO C[C@H](c1nnc(SCc2cccc3ccccc32)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490746 558609548 /nfs/dbraw/zinc/60/95/48/558609548.db2.gz YSVPGLPQKVMZSD-MRXNPFEDSA-N 1 2 406.530 5.475 50 0 HKAALO C[C@@H](c1nnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490907 558609533 /nfs/dbraw/zinc/60/95/33/558609533.db2.gz IXOZJTKFCMKJOZ-LBPRGKRZSA-N 1 2 408.905 5.114 50 0 HKAALO C[C@H](c1nnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490909 558609613 /nfs/dbraw/zinc/60/96/13/558609613.db2.gz IXOZJTKFCMKJOZ-GFCCVEGCSA-N 1 2 408.905 5.114 50 0 HKAALO CC[C@@H](c1nnc(SCc2cccc3ccccc32)n1Cc1ccccc1)[NH+](C)C ZINC000004494453 558610228 /nfs/dbraw/zinc/61/02/28/558610228.db2.gz XDWSAKVQMIDCBM-QHCPKHFHSA-N 1 2 416.594 5.785 50 0 HKAALO CC[C@H](c1nnc(SCc2cccc3ccccc32)n1Cc1ccccc1)[NH+](C)C ZINC000004494455 558610177 /nfs/dbraw/zinc/61/01/77/558610177.db2.gz XDWSAKVQMIDCBM-HSZRJFAPSA-N 1 2 416.594 5.785 50 0 HKAALO C[C@H](c1nnc(S[C@@H](C)c2ccccc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500456 558618832 /nfs/dbraw/zinc/61/88/32/558618832.db2.gz MBVKTMPUUNHYLE-KGLIPLIRSA-N 1 2 404.942 5.536 50 0 HKAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccccc1Cl ZINC000004500457 558618898 /nfs/dbraw/zinc/61/88/98/558618898.db2.gz MBVKTMPUUNHYLE-ZIAGYGMSSA-N 1 2 404.942 5.536 50 0 HKAALO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccccc1Cl ZINC000004500458 558618850 /nfs/dbraw/zinc/61/88/50/558618850.db2.gz MBVKTMPUUNHYLE-KBPBESRZSA-N 1 2 404.942 5.536 50 0 HKAALO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccccc1Cl ZINC000004500459 558618864 /nfs/dbraw/zinc/61/88/64/558618864.db2.gz MBVKTMPUUNHYLE-UONOGXRCSA-N 1 2 404.942 5.536 50 0 HKAALO Cc1ccc(C(=O)O/C(=C/c2[nH+]ccn2Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000004512219 557562035 /nfs/dbraw/zinc/56/20/35/557562035.db2.gz AHNGKJWRPKYOMT-XIEYBQDHSA-N 1 2 408.501 5.903 50 0 HKAALO OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc[nH+]c1N1CCCCC1 ZINC000004512548 132277915 /nfs/dbraw/zinc/27/79/15/132277915.db2.gz CWIRQVPODGMDMN-UHFFFAOYSA-N 1 2 413.348 5.663 50 0 HKAALO CC1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 ZINC000004524409 557563759 /nfs/dbraw/zinc/56/37/59/557563759.db2.gz FSOWPLHVACEZMS-UHFFFAOYSA-N 1 2 412.990 5.472 50 0 HKAALO CC(C)(C)c1cc(C(=O)CN2c3ccccc3N3CCC[NH+]=C23)cc(C(C)(C)C)c1O ZINC000004551206 558703956 /nfs/dbraw/zinc/70/39/56/558703956.db2.gz FYVLMSLBXULMRO-UHFFFAOYSA-N 1 2 419.569 5.256 50 0 HKAALO COc1ccc(Cl)cc1C(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000004563083 536548819 /nfs/dbraw/zinc/54/88/19/536548819.db2.gz SYQBLUVDTRAUQK-UHFFFAOYSA-N 1 2 409.917 5.448 50 0 HKAALO CCCC1CCC(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)CC1 ZINC000004563252 534917133 /nfs/dbraw/zinc/91/71/33/534917133.db2.gz RCCJVUYRAFPOKM-UHFFFAOYSA-N 1 2 407.602 6.325 50 0 HKAALO Clc1ccc(CO[C@H](c2ccc(Cl)cc2)c2ccccc2-n2cc[nH+]c2)cc1 ZINC000004620616 557573396 /nfs/dbraw/zinc/57/33/96/557573396.db2.gz MZGOORDLDQZGPD-HSZRJFAPSA-N 1 2 409.316 6.485 50 0 HKAALO Clc1ccc(CO[C@@H](c2ccc(Cl)cc2)c2ccccc2-n2cc[nH+]c2)cc1 ZINC000004620620 557573529 /nfs/dbraw/zinc/57/35/29/557573529.db2.gz MZGOORDLDQZGPD-QHCPKHFHSA-N 1 2 409.316 6.485 50 0 HKAALO S=c1n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000004624041 557573712 /nfs/dbraw/zinc/57/37/12/557573712.db2.gz SIXDPQSPJIICJY-QFIPXVFZSA-N 1 2 412.562 5.517 50 0 HKAALO S=c1n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000004624041 557573715 /nfs/dbraw/zinc/57/37/15/557573715.db2.gz SIXDPQSPJIICJY-QFIPXVFZSA-N 1 2 412.562 5.517 50 0 HKAALO S=c1n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000004624042 557573809 /nfs/dbraw/zinc/57/38/09/557573809.db2.gz SIXDPQSPJIICJY-JOCHJYFZSA-N 1 2 412.562 5.517 50 0 HKAALO S=c1n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000004624042 557573810 /nfs/dbraw/zinc/57/38/10/557573810.db2.gz SIXDPQSPJIICJY-JOCHJYFZSA-N 1 2 412.562 5.517 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000004632150 557574629 /nfs/dbraw/zinc/57/46/29/557574629.db2.gz IUTAXKPQWRHHIE-QFIPXVFZSA-N 1 2 414.896 5.617 50 0 HKAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000004632151 557574643 /nfs/dbraw/zinc/57/46/43/557574643.db2.gz IUTAXKPQWRHHIE-JOCHJYFZSA-N 1 2 414.896 5.617 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2)c(C)c1 ZINC000004632158 557574602 /nfs/dbraw/zinc/57/46/02/557574602.db2.gz GEBKRQQOUWUABC-XMMPIXPASA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2)c(C)c1 ZINC000004632159 557574595 /nfs/dbraw/zinc/57/45/95/557574595.db2.gz GEBKRQQOUWUABC-DEOSSOPVSA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004632169 557574552 /nfs/dbraw/zinc/57/45/52/557574552.db2.gz ZWATUJANPIJYIN-RUZDIDTESA-N 1 2 422.532 5.889 50 0 HKAALO Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004632170 557574559 /nfs/dbraw/zinc/57/45/59/557574559.db2.gz ZWATUJANPIJYIN-VWLOTQADSA-N 1 2 422.532 5.889 50 0 HKAALO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2cc(C)cc(C)c2)cc1 ZINC000004658136 558872131 /nfs/dbraw/zinc/87/21/31/558872131.db2.gz LJSGCLFFMNDNFZ-UHFFFAOYSA-N 1 2 420.516 6.457 50 0 HKAALO Cc1cc(C)cc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000004658137 558872169 /nfs/dbraw/zinc/87/21/69/558872169.db2.gz HCJUQTPGHCJSSO-UHFFFAOYSA-N 1 2 408.480 6.587 50 0 HKAALO COc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCCCCCCC2)cc1 ZINC000004659338 557577269 /nfs/dbraw/zinc/57/72/69/557577269.db2.gz IIBJBIRKFZXNMO-UHFFFAOYSA-N 1 2 407.562 5.909 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCCCCCCC2)c(C)c1 ZINC000004659340 558872449 /nfs/dbraw/zinc/87/24/49/558872449.db2.gz MDRWVPJGCOMDQQ-UHFFFAOYSA-N 1 2 405.590 6.518 50 0 HKAALO COc1ccc(-n2ncc3c2nc[nH+]c3N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004659347 558872676 /nfs/dbraw/zinc/87/26/76/558872676.db2.gz IFHSRDJFHIFMEJ-UHFFFAOYSA-N 1 2 421.504 5.031 50 0 HKAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000004659348 558872618 /nfs/dbraw/zinc/87/26/18/558872618.db2.gz MFUYVMPPKYYMIY-UHFFFAOYSA-N 1 2 405.505 5.331 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000004659349 558872638 /nfs/dbraw/zinc/87/26/38/558872638.db2.gz JBCTWRGBAJAVJF-UHFFFAOYSA-N 1 2 419.532 5.639 50 0 HKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC(c2ccccc2)c2ccccc2)cc1 ZINC000004659359 557577241 /nfs/dbraw/zinc/57/72/41/557577241.db2.gz FSIHDKQVORAFCG-UHFFFAOYSA-N 1 2 411.896 5.670 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000004659362 558872581 /nfs/dbraw/zinc/87/25/81/558872581.db2.gz MFNFNTYLEQETRP-UHFFFAOYSA-N 1 2 405.505 5.634 50 0 HKAALO CC[N@H+](CCCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1 ZINC000004669473 558880585 /nfs/dbraw/zinc/88/05/85/558880585.db2.gz HONBDMLVYPPCIP-UHFFFAOYSA-N 1 2 404.558 5.188 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1 ZINC000004669473 558880587 /nfs/dbraw/zinc/88/05/87/558880587.db2.gz HONBDMLVYPPCIP-UHFFFAOYSA-N 1 2 404.558 5.188 50 0 HKAALO Cc1[nH+]c(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)c1C ZINC000004704312 558913644 /nfs/dbraw/zinc/91/36/44/558913644.db2.gz KSABASWBNKUIES-UHFFFAOYSA-N 1 2 415.924 5.991 50 0 HKAALO Cc1[nH+]c(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)c3ccccn3)cc2)c1C ZINC000004704313 558913684 /nfs/dbraw/zinc/91/36/84/558913684.db2.gz WEZQPKWPKAPGFR-UHFFFAOYSA-N 1 2 402.885 5.457 50 0 HKAALO Cc1nnc(Nc2ccc3c(c2)nc2n3CC[N@@H+](C3CCCCC3)C2)c2ccccc12 ZINC000004705398 557584893 /nfs/dbraw/zinc/58/48/93/557584893.db2.gz UFVUNMIHMUYDSG-UHFFFAOYSA-N 1 2 412.541 5.180 50 0 HKAALO Cc1nnc(Nc2ccc3c(c2)nc2n3CC[N@H+](C3CCCCC3)C2)c2ccccc12 ZINC000004705398 557584895 /nfs/dbraw/zinc/58/48/95/557584895.db2.gz UFVUNMIHMUYDSG-UHFFFAOYSA-N 1 2 412.541 5.180 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1 ZINC000004718347 558916074 /nfs/dbraw/zinc/91/60/74/558916074.db2.gz CCFWWYOTIWRJHG-UHFFFAOYSA-N 1 2 403.485 6.253 50 0 HKAALO COc1ccc(OC)c(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000004720260 558919025 /nfs/dbraw/zinc/91/90/25/558919025.db2.gz DFFPZXCEWREQNB-UHFFFAOYSA-N 1 2 415.965 6.299 50 0 HKAALO Cc1[nH+]c2n(Cc3ccccc3)c3ccccc3n2c1[C@@H](O)C(Cl)(Cl)Cl ZINC000004725914 558780591 /nfs/dbraw/zinc/78/05/91/558780591.db2.gz SIJGFDNYEZUSDF-QGZVFWFLSA-N 1 2 408.716 5.049 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000004731518 557587900 /nfs/dbraw/zinc/58/79/00/557587900.db2.gz KNKWVRFITFPPOT-XMMPIXPASA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000004731519 557587861 /nfs/dbraw/zinc/58/78/61/557587861.db2.gz KNKWVRFITFPPOT-DEOSSOPVSA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 ZINC000004731520 557587883 /nfs/dbraw/zinc/58/78/83/557587883.db2.gz ARLONHGZSUPGRR-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(F)c2)cc1 ZINC000004731521 557587814 /nfs/dbraw/zinc/58/78/14/557587814.db2.gz ARLONHGZSUPGRR-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000004731524 557587833 /nfs/dbraw/zinc/58/78/33/557587833.db2.gz NOSGYWUKDBBQPQ-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000004731525 557587847 /nfs/dbraw/zinc/58/78/47/557587847.db2.gz NOSGYWUKDBBQPQ-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)ccc1O ZINC000004733488 559034443 /nfs/dbraw/zinc/03/44/43/559034443.db2.gz SGKPVPAAKIBNKZ-UHFFFAOYSA-N 1 2 400.265 5.766 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733491 559034480 /nfs/dbraw/zinc/03/44/80/559034480.db2.gz TXFYJSVPURVGKG-UHFFFAOYSA-N 1 2 400.334 6.774 50 0 HKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc(Cl)cc1 ZINC000004733514 559034432 /nfs/dbraw/zinc/03/44/32/559034432.db2.gz ARSHASYRJMVIPC-UHFFFAOYSA-N 1 2 418.928 5.543 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1 ZINC000004733567 559034484 /nfs/dbraw/zinc/03/44/84/559034484.db2.gz MALOUXMRDZCJNP-UHFFFAOYSA-N 1 2 416.388 6.230 50 0 HKAALO Cc1cccc(C)c1Nc1c(-c2ccccc2F)[nH+]c2ccc(Br)cn21 ZINC000004733577 559034490 /nfs/dbraw/zinc/03/44/90/559034490.db2.gz MVGPEWQNZXUIPX-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO CSc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733622 559033662 /nfs/dbraw/zinc/03/36/62/559033662.db2.gz ZRCGXKHOJYVERW-UHFFFAOYSA-N 1 2 403.507 5.546 50 0 HKAALO Cc1ccc2[nH+]c(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733640 559033629 /nfs/dbraw/zinc/03/36/29/559033629.db2.gz BORJWQKIKZVABJ-UHFFFAOYSA-N 1 2 409.848 5.617 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733642 559033647 /nfs/dbraw/zinc/03/36/47/559033647.db2.gz GLXAGUUWOUOTBV-UHFFFAOYSA-N 1 2 403.507 5.546 50 0 HKAALO Cc1cccc2[nH+]c(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733665 559033622 /nfs/dbraw/zinc/03/36/22/559033622.db2.gz NWAPYHAJMDVDLE-UHFFFAOYSA-N 1 2 409.848 5.617 50 0 HKAALO CSc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733669 559033593 /nfs/dbraw/zinc/03/35/93/559033593.db2.gz LACDNOLTCAAUQK-UHFFFAOYSA-N 1 2 403.507 5.546 50 0 HKAALO Clc1ccc2[nH+]c(-c3c[nH]c4ccccc43)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733675 559033614 /nfs/dbraw/zinc/03/36/14/559033614.db2.gz VZALXRBGSUWDTI-UHFFFAOYSA-N 1 2 416.868 5.651 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733691 559033604 /nfs/dbraw/zinc/03/36/04/559033604.db2.gz KCGMMMVXBGPMGX-UHFFFAOYSA-N 1 2 407.857 5.178 50 0 HKAALO CN(C)c1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733706 559033665 /nfs/dbraw/zinc/03/36/65/559033665.db2.gz UCDDPDKEBIXRCF-UHFFFAOYSA-N 1 2 420.900 5.236 50 0 HKAALO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733709 559033708 /nfs/dbraw/zinc/03/37/08/559033708.db2.gz NCCZXNAJQYHOBX-UHFFFAOYSA-N 1 2 412.276 5.823 50 0 HKAALO Clc1cccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004733711 559033725 /nfs/dbraw/zinc/03/37/25/559033725.db2.gz VVZIVSLFEDSOIB-UHFFFAOYSA-N 1 2 412.276 5.823 50 0 HKAALO Cc1ccn2c(c1)[nH+]c(-c1cc(Br)ccc1F)c2Nc1ccccc1C ZINC000004733736 559033704 /nfs/dbraw/zinc/03/37/04/559033704.db2.gz JKVOCUVOFIXKNV-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccc2[nH+]c(-c3cc(Br)ccc3F)c(Nc3ccccc3C)n2c1 ZINC000004733765 559033717 /nfs/dbraw/zinc/03/37/17/559033717.db2.gz DDLVCQUAHYCSES-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)[nH+]c2cccc(C)n21 ZINC000004733784 559033713 /nfs/dbraw/zinc/03/37/13/559033713.db2.gz UILVVJHHWJUEJL-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)[nH+]c2ccc(Cl)cn21 ZINC000004733807 559033699 /nfs/dbraw/zinc/03/36/99/559033699.db2.gz QYUKRDYQAFHWFV-UHFFFAOYSA-N 1 2 418.928 5.543 50 0 HKAALO Cc1ccccc1Nc1c(-c2cccc(Br)c2)[nH+]c2ccc(Cl)cn21 ZINC000004733817 559033748 /nfs/dbraw/zinc/03/37/48/559033748.db2.gz LYSWESFHDAYJQO-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccccc2C)cc1 ZINC000004733847 559033733 /nfs/dbraw/zinc/03/37/33/559033733.db2.gz XMAUTPRWYNVNOX-UHFFFAOYSA-N 1 2 408.299 5.824 50 0 HKAALO Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccc(Br)cn21 ZINC000004733857 559033745 /nfs/dbraw/zinc/03/37/45/559033745.db2.gz GRQDCCCGCNMRPJ-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO Cc1ccccc1Nc1c(-c2cccc(Cl)c2)[nH+]c2ccc(Br)cn21 ZINC000004733860 559033701 /nfs/dbraw/zinc/03/37/01/559033701.db2.gz YUGBYIWUQFOWBR-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO Brc1ccc2[nH+]c(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004733931 559033839 /nfs/dbraw/zinc/03/38/39/559033839.db2.gz NQIUEXGMAUSQSD-UHFFFAOYSA-N 1 2 408.255 5.236 50 0 HKAALO CCN(CC)c1ccc(C(=O)Nc2ccc3[nH+]c(N(CC)CC)cc(C)c3c2)cc1 ZINC000004734163 557588867 /nfs/dbraw/zinc/58/88/67/557588867.db2.gz UZLVWFBPDXMRGC-UHFFFAOYSA-N 1 2 404.558 5.488 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000004734311 557588828 /nfs/dbraw/zinc/58/88/28/557588828.db2.gz KERUVCLJIKCENJ-UHFFFAOYSA-N 1 2 402.542 5.098 50 0 HKAALO Brc1cccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000004735080 559034237 /nfs/dbraw/zinc/03/42/37/559034237.db2.gz JIBPJTQLHHZUPZ-UHFFFAOYSA-N 1 2 408.255 5.236 50 0 HKAALO Cc1ccc(Nc2c(-c3cc(Br)ccc3F)[nH+]c3ccc(C)cn32)cc1 ZINC000004735107 559034273 /nfs/dbraw/zinc/03/42/73/559034273.db2.gz DPQWSYNQCCTCGQ-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccc(Nc2c(-c3cccc(Br)c3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004735118 559034045 /nfs/dbraw/zinc/03/40/45/559034045.db2.gz PWZIZRKLURNIKC-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO CN(C)c1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735123 559034269 /nfs/dbraw/zinc/03/42/69/559034269.db2.gz PIBTUZGGSQQERJ-UHFFFAOYSA-N 1 2 406.873 5.193 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735124 559034240 /nfs/dbraw/zinc/03/42/40/559034240.db2.gz CHPGQGRGGGIWHS-UHFFFAOYSA-N 1 2 409.898 5.849 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1 ZINC000004735137 559034318 /nfs/dbraw/zinc/03/43/18/559034318.db2.gz YVRFKDNXKJDQGY-UHFFFAOYSA-N 1 2 408.299 5.824 50 0 HKAALO Cc1ccc(Nc2c(-c3cccc(Cl)c3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004735140 559034326 /nfs/dbraw/zinc/03/43/26/559034326.db2.gz FZOBONQOKNCKSN-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000004741893 557590854 /nfs/dbraw/zinc/59/08/54/557590854.db2.gz GOYOWLCTKPZFNK-XMMPIXPASA-N 1 2 408.505 5.526 50 0 HKAALO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000004741894 557590806 /nfs/dbraw/zinc/59/08/06/557590806.db2.gz GOYOWLCTKPZFNK-DEOSSOPVSA-N 1 2 408.505 5.526 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 ZINC000004742047 557590922 /nfs/dbraw/zinc/59/09/22/557590922.db2.gz OINXBIWKULPDFD-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 ZINC000004742048 557590935 /nfs/dbraw/zinc/59/09/35/557590935.db2.gz OINXBIWKULPDFD-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000004742049 557590940 /nfs/dbraw/zinc/59/09/40/557590940.db2.gz ABBJJBHXBHIYKL-XMMPIXPASA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000004742050 557590834 /nfs/dbraw/zinc/59/08/34/557590834.db2.gz ABBJJBHXBHIYKL-DEOSSOPVSA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000004742051 557590914 /nfs/dbraw/zinc/59/09/14/557590914.db2.gz PYWPHQNUXXSFDH-XMMPIXPASA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000004742052 557591143 /nfs/dbraw/zinc/59/11/43/557591143.db2.gz PYWPHQNUXXSFDH-DEOSSOPVSA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004742055 557591169 /nfs/dbraw/zinc/59/11/69/557591169.db2.gz ZGAPYHXAIPPAKC-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004742056 557591149 /nfs/dbraw/zinc/59/11/49/557591149.db2.gz ZGAPYHXAIPPAKC-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004742057 557591120 /nfs/dbraw/zinc/59/11/20/557591120.db2.gz YLLUIODRBAWAPM-QFIPXVFZSA-N 1 2 416.431 5.242 50 0 HKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004742058 557591186 /nfs/dbraw/zinc/59/11/86/557591186.db2.gz YLLUIODRBAWAPM-JOCHJYFZSA-N 1 2 416.431 5.242 50 0 HKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(F)c2)n2c3ccccc3[nH+]c2N1 ZINC000004742059 557591200 /nfs/dbraw/zinc/59/12/00/557591200.db2.gz ZSDFRRSAEDBQTP-QFIPXVFZSA-N 1 2 416.431 5.242 50 0 HKAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(F)c2)n2c3ccccc3[nH+]c2N1 ZINC000004742060 557591114 /nfs/dbraw/zinc/59/11/14/557591114.db2.gz ZSDFRRSAEDBQTP-JOCHJYFZSA-N 1 2 416.431 5.242 50 0 HKAALO Cc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004742061 557591182 /nfs/dbraw/zinc/59/11/82/557591182.db2.gz AINJVOLWYOSZFO-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004742062 557591103 /nfs/dbraw/zinc/59/11/03/557591103.db2.gz AINJVOLWYOSZFO-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004742063 557591198 /nfs/dbraw/zinc/59/11/98/557591198.db2.gz LVNWNPPMRVQPQB-XMMPIXPASA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004742064 557591108 /nfs/dbraw/zinc/59/11/08/557591108.db2.gz LVNWNPPMRVQPQB-DEOSSOPVSA-N 1 2 408.505 5.581 50 0 HKAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000004742067 557591202 /nfs/dbraw/zinc/59/12/02/557591202.db2.gz IKYBHDSMXDJIPD-HSZRJFAPSA-N 1 2 412.468 5.411 50 0 HKAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000004742068 557591098 /nfs/dbraw/zinc/59/10/98/557591098.db2.gz IKYBHDSMXDJIPD-QHCPKHFHSA-N 1 2 412.468 5.411 50 0 HKAALO COc1ccccc1-c1[nH+]c2c(OCc3ccccc3)cccn2c1NC(C)(C)C ZINC000004754386 559050912 /nfs/dbraw/zinc/05/09/12/559050912.db2.gz KRTWTSZNOXTRPS-UHFFFAOYSA-N 1 2 401.510 5.799 50 0 HKAALO CCN(CC)c1cc(C)c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000004757340 557594538 /nfs/dbraw/zinc/59/45/38/557594538.db2.gz SDPJCGWFNQLBQG-UHFFFAOYSA-N 1 2 415.459 5.589 50 0 HKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000004757346 557594528 /nfs/dbraw/zinc/59/45/28/557594528.db2.gz LUCNVXJLRSKUAT-UHFFFAOYSA-N 1 2 401.432 5.661 50 0 HKAALO CCCCc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)cc1 ZINC000004757585 535083786 /nfs/dbraw/zinc/08/37/86/535083786.db2.gz UFEHFNWHLXDYHY-UHFFFAOYSA-N 1 2 415.581 6.374 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(F)cc3Cl)cc12 ZINC000004757590 132287611 /nfs/dbraw/zinc/28/76/11/132287611.db2.gz IKTDPEBGSPPOGI-UHFFFAOYSA-N 1 2 411.908 5.824 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 ZINC000004757595 132287853 /nfs/dbraw/zinc/28/78/53/132287853.db2.gz BQNLDGVQUNOLKL-UHFFFAOYSA-N 1 2 421.629 6.571 50 0 HKAALO COc1ccc(Cl)cc1C(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1 ZINC000004757597 536548657 /nfs/dbraw/zinc/54/86/57/536548657.db2.gz JAPVBOCTXMDBRO-UHFFFAOYSA-N 1 2 423.944 5.694 50 0 HKAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c1 ZINC000004757599 132287803 /nfs/dbraw/zinc/28/78/03/132287803.db2.gz YVEVNUWCYIBTDY-UHFFFAOYSA-N 1 2 419.525 5.049 50 0 aggregator HKAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1 ZINC000004757607 132287809 /nfs/dbraw/zinc/28/78/09/132287809.db2.gz PLNQDJUYOGNXMM-UHFFFAOYSA-N 1 2 419.525 5.049 50 0 HKAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)cc1OC ZINC000004757611 132287814 /nfs/dbraw/zinc/28/78/14/132287814.db2.gz HUGAUUBBXVWASD-UHFFFAOYSA-N 1 2 419.525 5.049 50 0 HKAALO COc1ccc(CCC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)cc1 ZINC000004757627 132287882 /nfs/dbraw/zinc/28/78/82/132287882.db2.gz HLUIWUCNZFUDFS-UHFFFAOYSA-N 1 2 417.553 5.359 50 0 HKAALO CCOc1ccccc1C(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1 ZINC000004757633 132287865 /nfs/dbraw/zinc/28/78/65/132287865.db2.gz VKQSNFQDYGVJSC-UHFFFAOYSA-N 1 2 403.526 5.431 50 0 HKAALO Cc1cccc(OCC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c1 ZINC000004757648 132287876 /nfs/dbraw/zinc/28/78/76/132287876.db2.gz KANHFTUZZRSSHT-UHFFFAOYSA-N 1 2 403.526 5.105 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000004757651 132287859 /nfs/dbraw/zinc/28/78/59/132287859.db2.gz LSLYLSSTIQCBNX-UHFFFAOYSA-N 1 2 423.944 5.450 50 0 HKAALO Cc1ccsc1/C=C/C(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1 ZINC000004757657 132287885 /nfs/dbraw/zinc/28/78/85/132287885.db2.gz CXHYBKYBGYUGOD-VOTSOKGWSA-N 1 2 405.567 5.801 50 0 HKAALO Clc1ccc2[nH+]c(-c3ccc(N4CCOCC4)cc3)c(Nc3ccccc3)n2c1 ZINC000004765259 559054764 /nfs/dbraw/zinc/05/47/64/559054764.db2.gz JPFLXPNBLUNGME-UHFFFAOYSA-N 1 2 404.901 5.235 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccs2)c(C)c1 ZINC000004768026 559055425 /nfs/dbraw/zinc/05/54/25/559055425.db2.gz LWYJBFCXTDPVGS-JOCHJYFZSA-N 1 2 414.534 5.642 50 0 HKAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccs2)c(C)c1 ZINC000004786427 559063894 /nfs/dbraw/zinc/06/38/94/559063894.db2.gz LWYJBFCXTDPVGS-QFIPXVFZSA-N 1 2 414.534 5.642 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cccs1 ZINC000004786545 559064186 /nfs/dbraw/zinc/06/41/86/559064186.db2.gz LZVRPOCSBGOHFA-NRFANRHFSA-N 1 2 416.506 5.034 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cccs1 ZINC000004786550 559064208 /nfs/dbraw/zinc/06/42/08/559064208.db2.gz LZVRPOCSBGOHFA-OAQYLSRUSA-N 1 2 416.506 5.034 50 0 HKAALO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)n2c3ccccc3[nH+]c2N1 ZINC000004786637 559064162 /nfs/dbraw/zinc/06/41/62/559064162.db2.gz SFWINRJKZOLKOD-NRFANRHFSA-N 1 2 415.884 5.012 50 0 HKAALO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)n2c3ccccc3[nH+]c2N1 ZINC000004786641 559064151 /nfs/dbraw/zinc/06/41/51/559064151.db2.gz SFWINRJKZOLKOD-OAQYLSRUSA-N 1 2 415.884 5.012 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000004786783 557597995 /nfs/dbraw/zinc/59/79/95/557597995.db2.gz ZPQXLAJIYAOLKV-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000004786788 557598226 /nfs/dbraw/zinc/59/82/26/557598226.db2.gz ZPQXLAJIYAOLKV-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO Cl/C(=C\c1ccccc1)c1[nH+]c2ccccn2c1Nc1ccc2c(c1)OCCO2 ZINC000004789133 559064289 /nfs/dbraw/zinc/06/42/89/559064289.db2.gz PXUOBDUVSSRHCF-JXAWBTAJSA-N 1 2 403.869 5.586 50 0 HKAALO Cc1cccc(C)c1Nc1c(/C(Cl)=C/c2ccccc2)[nH+]c2ccc(Cl)cn21 ZINC000004789136 559064390 /nfs/dbraw/zinc/06/43/90/559064390.db2.gz UZLSOPAGOCRMGH-UYRXBGFRSA-N 1 2 408.332 7.085 50 0 HKAALO Cc1ccn2c(c1)[nH+]c(/C(Cl)=C/c1ccccc1)c2Nc1ccc(C(C)C)cc1 ZINC000004793925 559066109 /nfs/dbraw/zinc/06/61/09/559066109.db2.gz KXGMWIFZFYIXIG-JWGURIENSA-N 1 2 401.941 7.247 50 0 HKAALO Cc1ccccc1Nc1c(-c2c[nH]c3ccccc32)[nH+]c2ccc(Br)cn21 ZINC000004793927 559066095 /nfs/dbraw/zinc/06/60/95/559066095.db2.gz OPMXWAQUHQWTOW-UHFFFAOYSA-N 1 2 417.310 6.297 50 0 HKAALO COc1cc(O)ccc1-c1[nH+]c2ccc(Br)cn2c1Nc1ccccc1C ZINC000004793928 559066073 /nfs/dbraw/zinc/06/60/73/559066073.db2.gz SSJJQZJGZDYINO-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Cc1ccccc1Nc1c(-c2ccc(Cl)s2)[nH+]c2ccc(Br)cn21 ZINC000004793931 559066065 /nfs/dbraw/zinc/06/60/65/559066065.db2.gz LPTBEHIQPUCMRK-UHFFFAOYSA-N 1 2 418.747 6.531 50 0 HKAALO Cc1ccccc1Nc1c(-c2cccc(N(C)C)c2)[nH+]c2ccc(Br)cn21 ZINC000004793940 559066083 /nfs/dbraw/zinc/06/60/83/559066083.db2.gz PUPGMYCCRIJNRZ-UHFFFAOYSA-N 1 2 421.342 5.882 50 0 HKAALO Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)[nH+]c3ccc(Br)cn32)cc1 ZINC000004793960 559066060 /nfs/dbraw/zinc/06/60/60/559066060.db2.gz FEDMIKMODQVDKK-UHFFFAOYSA-N 1 2 421.342 5.882 50 0 HKAALO Cc1cccn2c(Nc3ccccc3C)c(-c3cc(Br)ccc3F)[nH+]c12 ZINC000004793967 559066099 /nfs/dbraw/zinc/06/60/99/559066099.db2.gz SKZQTFCJFMYOOS-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccc(Nc2c(-c3coc(Br)c3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004793977 559066086 /nfs/dbraw/zinc/06/60/86/559066086.db2.gz OEWWBOKOMTXEFC-UHFFFAOYSA-N 1 2 402.679 6.062 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1O ZINC000004793979 559066076 /nfs/dbraw/zinc/06/60/76/559066076.db2.gz NHCMTCVPFFSPAK-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Cc1ccc(Nc2c(-c3ccccc3Cl)[nH+]c3ccc(Br)cn32)cc1 ZINC000004793981 559066111 /nfs/dbraw/zinc/06/61/11/559066111.db2.gz GIPOUEWUOYPHES-UHFFFAOYSA-N 1 2 412.718 6.469 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1 ZINC000004793984 559066089 /nfs/dbraw/zinc/06/60/89/559066089.db2.gz YDWMXFWXXKIJFE-UHFFFAOYSA-N 1 2 424.367 6.538 50 0 HKAALO Cc1ccc(Nc2c(-c3cc(Br)ccc3F)[nH+]c3cc(C)ccn32)cc1 ZINC000004794003 559066118 /nfs/dbraw/zinc/06/61/18/559066118.db2.gz KTSOPIIFYXLNMA-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Cc1ccc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccc(Br)cn32)cc1 ZINC000004794006 559066092 /nfs/dbraw/zinc/06/60/92/559066092.db2.gz CECVBEWKVJPWGC-UHFFFAOYSA-N 1 2 417.310 6.297 50 0 HKAALO Cc1ccc(Nc2c(-c3cc(Br)ccc3F)[nH+]c3cccc(C)n32)cc1 ZINC000004794009 559066104 /nfs/dbraw/zinc/06/61/04/559066104.db2.gz FLNIPJRJXQPRMF-UHFFFAOYSA-N 1 2 410.290 6.263 50 0 HKAALO Brc1cccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004794016 559066115 /nfs/dbraw/zinc/06/61/15/559066115.db2.gz LLVXBURJKCFBMH-UHFFFAOYSA-N 1 2 422.282 5.279 50 0 HKAALO CSc1ccc(-c2[nH+]c3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004794032 559066080 /nfs/dbraw/zinc/06/60/80/559066080.db2.gz SFCQCCCVGXICID-UHFFFAOYSA-N 1 2 403.507 5.546 50 0 aggregator HKAALO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004799266 559066516 /nfs/dbraw/zinc/06/65/16/559066516.db2.gz YFPHXEOJIZXGMP-UHFFFAOYSA-N 1 2 400.488 6.002 50 0 HKAALO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004799266 559066518 /nfs/dbraw/zinc/06/65/18/559066518.db2.gz YFPHXEOJIZXGMP-UHFFFAOYSA-N 1 2 400.488 6.002 50 0 HKAALO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)o1 ZINC000004873010 559194689 /nfs/dbraw/zinc/19/46/89/559194689.db2.gz MBTSNCOSXKCHKZ-UHFFFAOYSA-N 1 2 413.908 6.758 50 0 HKAALO Cl/C(=C\c1ccccc1)c1[nH+]c2ccc(Br)cn2c1NC1CCCC1 ZINC000004873027 559194678 /nfs/dbraw/zinc/19/46/78/559194678.db2.gz KZKCDRSDFAWKOD-ATVHPVEESA-N 1 2 416.750 6.188 50 0 HKAALO CC[N@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)c1ccccc1 ZINC000004885274 559196889 /nfs/dbraw/zinc/19/68/89/559196889.db2.gz SPIOUJXXRAFEEZ-UHFFFAOYSA-N 1 2 421.972 5.413 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)c1ccccc1 ZINC000004885274 559196891 /nfs/dbraw/zinc/19/68/91/559196891.db2.gz SPIOUJXXRAFEEZ-UHFFFAOYSA-N 1 2 421.972 5.413 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1cccc(C)c1 ZINC000004885999 559196984 /nfs/dbraw/zinc/19/69/84/559196984.db2.gz RKMDSPXPDPUOIQ-UHFFFAOYSA-N 1 2 417.578 5.713 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1cccc(C)c1 ZINC000004885999 559196985 /nfs/dbraw/zinc/19/69/85/559196985.db2.gz RKMDSPXPDPUOIQ-UHFFFAOYSA-N 1 2 417.578 5.713 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccccc1 ZINC000004886035 559196989 /nfs/dbraw/zinc/19/69/89/559196989.db2.gz PXTRMTZDZCXGBX-UHFFFAOYSA-N 1 2 403.551 5.404 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccccc1 ZINC000004886035 559196990 /nfs/dbraw/zinc/19/69/90/559196990.db2.gz PXTRMTZDZCXGBX-UHFFFAOYSA-N 1 2 403.551 5.404 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1ccccc1 ZINC000004886391 559197007 /nfs/dbraw/zinc/19/70/07/559197007.db2.gz SWSUWZPTHOJRSF-UHFFFAOYSA-N 1 2 419.550 5.105 50 0 aggregator HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1ccccc1 ZINC000004886391 559197008 /nfs/dbraw/zinc/19/70/08/559197008.db2.gz SWSUWZPTHOJRSF-UHFFFAOYSA-N 1 2 419.550 5.105 50 0 aggregator HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccccc1 ZINC000004900850 559199563 /nfs/dbraw/zinc/19/95/63/559199563.db2.gz WNSCFVUZJFBMHP-UHFFFAOYSA-N 1 2 419.550 5.105 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccccc1 ZINC000004900850 559199566 /nfs/dbraw/zinc/19/95/66/559199566.db2.gz WNSCFVUZJFBMHP-UHFFFAOYSA-N 1 2 419.550 5.105 50 0 HKAALO CCCCCCOc1ccc(OC[C@H](O)Cn2c(CCC)[nH+]c3ccccc32)cc1 ZINC000004905071 557611816 /nfs/dbraw/zinc/61/18/16/557611816.db2.gz HSWYNUVLJWEBKF-HXUWFJFHSA-N 1 2 410.558 5.388 50 0 HKAALO CCCCCCOc1ccc(OC[C@@H](O)Cn2c(CCC)[nH+]c3ccccc32)cc1 ZINC000004905074 557611721 /nfs/dbraw/zinc/61/17/21/557611721.db2.gz HSWYNUVLJWEBKF-FQEVSTJZSA-N 1 2 410.558 5.388 50 0 HKAALO CC[N@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1)c1cccc(C)c1 ZINC000004905911 559201788 /nfs/dbraw/zinc/20/17/88/559201788.db2.gz SOTLYSWAJRRMPX-UHFFFAOYSA-N 1 2 421.972 5.332 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1)c1cccc(C)c1 ZINC000004905911 559201790 /nfs/dbraw/zinc/20/17/90/559201790.db2.gz SOTLYSWAJRRMPX-UHFFFAOYSA-N 1 2 421.972 5.332 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)c1cccc(C)c1 ZINC000004906393 559201900 /nfs/dbraw/zinc/20/19/00/559201900.db2.gz OSYNAKGXQLBTMW-UHFFFAOYSA-N 1 2 401.510 5.244 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)c1cccc(C)c1 ZINC000004906393 559201901 /nfs/dbraw/zinc/20/19/01/559201901.db2.gz OSYNAKGXQLBTMW-UHFFFAOYSA-N 1 2 401.510 5.244 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1)c1ccccc1 ZINC000004908792 559201145 /nfs/dbraw/zinc/20/11/45/559201145.db2.gz PQPCPACKWHFLIE-UHFFFAOYSA-N 1 2 407.901 5.281 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1)c1ccccc1 ZINC000004908792 559201146 /nfs/dbraw/zinc/20/11/46/559201146.db2.gz PQPCPACKWHFLIE-UHFFFAOYSA-N 1 2 407.901 5.281 50 0 HKAALO CC[N@H+](CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21)c1ccccc1 ZINC000004910783 557612297 /nfs/dbraw/zinc/61/22/97/557612297.db2.gz GPSSUGZBGAWGQX-UHFFFAOYSA-N 1 2 422.536 5.273 50 0 HKAALO CC[N@@H+](CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21)c1ccccc1 ZINC000004910783 557612300 /nfs/dbraw/zinc/61/23/00/557612300.db2.gz GPSSUGZBGAWGQX-UHFFFAOYSA-N 1 2 422.536 5.273 50 0 HKAALO Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004921934 559206870 /nfs/dbraw/zinc/20/68/70/559206870.db2.gz NBGCAHZULMYTSH-UHFFFAOYSA-N 1 2 418.928 5.543 50 0 HKAALO CCc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc1 ZINC000004969789 559219472 /nfs/dbraw/zinc/21/94/72/559219472.db2.gz DBJUVNBQIXUBRJ-UHFFFAOYSA-N 1 2 404.583 5.192 50 0 HKAALO CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000005009319 559227724 /nfs/dbraw/zinc/22/77/24/559227724.db2.gz JQBPOJKRSDEHKH-UHFFFAOYSA-N 1 2 423.944 6.045 50 0 HKAALO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cc(Br)cs2)[C@@H]3CCC1 ZINC000005032520 557628260 /nfs/dbraw/zinc/62/82/60/557628260.db2.gz VHTHNWUOMUUQQZ-HXUWFJFHSA-N 1 2 415.400 6.057 50 0 HKAALO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2cc(Br)cs2)[C@@H]3CCC1 ZINC000005032520 557628263 /nfs/dbraw/zinc/62/82/63/557628263.db2.gz VHTHNWUOMUUQQZ-HXUWFJFHSA-N 1 2 415.400 6.057 50 0 HKAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)cc1 ZINC000005041795 557628649 /nfs/dbraw/zinc/62/86/49/557628649.db2.gz AQIHDEYRJWMSDQ-UHFFFAOYSA-N 1 2 413.525 5.136 50 0 HKAALO CCc1ccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000005051074 559237021 /nfs/dbraw/zinc/23/70/21/559237021.db2.gz TZAXSHCXXVEWNL-UHFFFAOYSA-N 1 2 407.517 5.692 50 0 HKAALO CCCn1c(-c2ccc(CC)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000005051315 559237166 /nfs/dbraw/zinc/23/71/66/559237166.db2.gz DUJNCMYTIAAEJB-UHFFFAOYSA-N 1 2 405.545 7.109 50 0 HKAALO CCn1c(C)[nH+]c2cc(-c3[nH]nc(-c4ccccc4)c3-c3nc4ccccc4[nH]3)ccc21 ZINC000005072700 559241646 /nfs/dbraw/zinc/24/16/46/559241646.db2.gz MIOHZXVMBTYOHC-UHFFFAOYSA-N 1 2 418.504 5.965 50 0 HKAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000005090412 559243467 /nfs/dbraw/zinc/24/34/67/559243467.db2.gz JRWXZOMVDUTHCX-ZDUSSCGKSA-N 1 2 417.937 5.295 50 0 HKAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000005090414 559243460 /nfs/dbraw/zinc/24/34/60/559243460.db2.gz JRWXZOMVDUTHCX-CYBMUJFWSA-N 1 2 417.937 5.295 50 0 HKAALO CC(C)(C)c1cc(NCCCn2cc[nH+]c2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005208327 557640036 /nfs/dbraw/zinc/64/00/36/557640036.db2.gz AVCQHKPBWJVDRO-UHFFFAOYSA-N 1 2 408.937 5.046 50 0 HKAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262070 560552824 /nfs/dbraw/zinc/55/28/24/560552824.db2.gz LOENTSDYRCTRSL-RUZDIDTESA-N 1 2 418.537 5.132 50 0 HKAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262070 560552825 /nfs/dbraw/zinc/55/28/25/560552825.db2.gz LOENTSDYRCTRSL-RUZDIDTESA-N 1 2 418.537 5.132 50 0 HKAALO COc1ccc(C[N@H+](C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262071 560552912 /nfs/dbraw/zinc/55/29/12/560552912.db2.gz LOENTSDYRCTRSL-VWLOTQADSA-N 1 2 418.537 5.132 50 0 HKAALO COc1ccc(C[N@@H+](C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262071 560552914 /nfs/dbraw/zinc/55/29/14/560552914.db2.gz LOENTSDYRCTRSL-VWLOTQADSA-N 1 2 418.537 5.132 50 0 HKAALO COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C)c3Nc3[nH+]c4ccccc4n32)cc1 ZINC000005343242 560568125 /nfs/dbraw/zinc/56/81/25/560568125.db2.gz ZMTQIUWBXQPCIF-DEOSSOPVSA-N 1 2 421.504 5.542 50 0 HKAALO COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3Nc3[nH+]c4ccccc4n32)cc1 ZINC000005343243 560568117 /nfs/dbraw/zinc/56/81/17/560568117.db2.gz ZMTQIUWBXQPCIF-XMMPIXPASA-N 1 2 421.504 5.542 50 0 HKAALO COc1ccc2oc(/C=C(\C)[NH+](C)C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000005380781 560625438 /nfs/dbraw/zinc/62/54/38/560625438.db2.gz FOBPOILHHDXTTH-ACCUITESSA-N 1 2 414.299 5.357 50 0 HKAALO COc1cccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCO)c1 ZINC000005453329 560589558 /nfs/dbraw/zinc/58/95/58/560589558.db2.gz VFKRJOWVQAXBAE-UHFFFAOYSA-N 1 2 409.489 5.138 50 0 HKAALO FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc43)[nH+]c3ccccn32)c1 ZINC000005453473 560589597 /nfs/dbraw/zinc/58/95/97/560589597.db2.gz RVMCWOSAWFTLNO-UHFFFAOYSA-N 1 2 404.395 6.312 50 0 HKAALO CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCc2[nH]c3ccccc3[nH+]2)CO1 ZINC000005453576 560589545 /nfs/dbraw/zinc/58/95/45/560589545.db2.gz BOTWQFSSFFWAHK-UHFFFAOYSA-N 1 2 416.550 5.250 50 0 HKAALO COc1ccc(Nc2c(-c3c[nH]c4ccccc43)[nH+]c3ccc(Cl)cn32)cc1OC ZINC000005453668 560589549 /nfs/dbraw/zinc/58/95/49/560589549.db2.gz YVJKBFZWBGPEIX-UHFFFAOYSA-N 1 2 418.884 5.897 50 0 HKAALO CCCCn1c(-c2ccc(OC)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000005453719 560589708 /nfs/dbraw/zinc/58/97/08/560589708.db2.gz XNENNMMOGAMHOX-UHFFFAOYSA-N 1 2 421.544 6.946 50 0 HKAALO Cc1c(Cl)cccc1Nc1c(-c2c[nH]c3ccccc32)[nH+]c2ccc(Cl)cn21 ZINC000005454121 560589688 /nfs/dbraw/zinc/58/96/88/560589688.db2.gz NTRBCIMVKKWDSC-UHFFFAOYSA-N 1 2 407.304 6.841 50 0 HKAALO Cc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005458498 560591644 /nfs/dbraw/zinc/59/16/44/560591644.db2.gz DUTDQQWIKOWTKM-IRLDBZIGSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005458499 560591646 /nfs/dbraw/zinc/59/16/46/560591646.db2.gz DUTDQQWIKOWTKM-IFMALSPDSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005458502 560591690 /nfs/dbraw/zinc/59/16/90/560591690.db2.gz DUTDQQWIKOWTKM-UNMCSNQZSA-N 1 2 418.338 6.254 50 0 HKAALO Cc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005458506 560591686 /nfs/dbraw/zinc/59/16/86/560591686.db2.gz DUTDQQWIKOWTKM-RBBKRZOGSA-N 1 2 418.338 6.254 50 0 HKAALO COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005458652 560590502 /nfs/dbraw/zinc/59/05/02/560590502.db2.gz NIKPVISZBATZRG-CTNGQTDRSA-N 1 2 419.912 5.853 50 0 HKAALO COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005458660 560590540 /nfs/dbraw/zinc/59/05/40/560590540.db2.gz NIKPVISZBATZRG-TZIWHRDSSA-N 1 2 419.912 5.853 50 0 HKAALO COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005458665 560590528 /nfs/dbraw/zinc/59/05/28/560590528.db2.gz NIKPVISZBATZRG-FPOVZHCZSA-N 1 2 419.912 5.853 50 0 HKAALO COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000005458675 560590535 /nfs/dbraw/zinc/59/05/35/560590535.db2.gz NIKPVISZBATZRG-PZJWPPBQSA-N 1 2 419.912 5.853 50 0 HKAALO Cc1nn2c(nc(C(C)(C)C)cc2NCCCn2cc[nH+]c2)c1-c1ccc(Cl)cc1 ZINC000005458732 560590532 /nfs/dbraw/zinc/59/05/32/560590532.db2.gz JGBQVDSUMJYZPS-UHFFFAOYSA-N 1 2 422.964 5.354 50 0 HKAALO CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460468 560590864 /nfs/dbraw/zinc/59/08/64/560590864.db2.gz PDPKECKHHQQXIH-VWNXMTODSA-N 1 2 401.941 6.959 50 0 HKAALO CC(C)c1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460476 560590892 /nfs/dbraw/zinc/59/08/92/560590892.db2.gz PDPKECKHHQQXIH-ISKFKSNPSA-N 1 2 401.941 6.959 50 0 HKAALO CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460481 560590847 /nfs/dbraw/zinc/59/08/47/560590847.db2.gz PDPKECKHHQQXIH-UPVQGACJSA-N 1 2 401.941 6.959 50 0 HKAALO CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460490 560590868 /nfs/dbraw/zinc/59/08/68/560590868.db2.gz PDPKECKHHQQXIH-LADGPHEKSA-N 1 2 401.941 6.959 50 0 HKAALO CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460650 560592838 /nfs/dbraw/zinc/59/28/38/560592838.db2.gz DRZDJOJFYKJFFQ-GGAORHGYSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460655 560592827 /nfs/dbraw/zinc/59/28/27/560592827.db2.gz DRZDJOJFYKJFFQ-FYYLOGMGSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460660 560592800 /nfs/dbraw/zinc/59/28/00/560592800.db2.gz DRZDJOJFYKJFFQ-GMAHTHKFSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000005460664 560592809 /nfs/dbraw/zinc/59/28/09/560592809.db2.gz DRZDJOJFYKJFFQ-JTHBVZDNSA-N 1 2 403.913 6.235 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccc(Br)c2)cc1 ZINC000005477648 560594714 /nfs/dbraw/zinc/59/47/14/560594714.db2.gz DMKYJSJSROPBEQ-UHFFFAOYSA-N 1 2 411.328 5.179 50 0 HKAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)c1ccc2ccccc2c1 ZINC000005477712 560594707 /nfs/dbraw/zinc/59/47/07/560594707.db2.gz OBKUQJGINVQXOM-UHFFFAOYSA-N 1 2 410.502 5.003 50 0 HKAALO FC(F)(F)c1cccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000005477834 560594809 /nfs/dbraw/zinc/59/48/09/560594809.db2.gz GZKPZLULSLQDEI-UHFFFAOYSA-N 1 2 400.429 5.186 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000005500094 560598380 /nfs/dbraw/zinc/59/83/80/560598380.db2.gz VRMPIYZQGZRCII-UHFFFAOYSA-N 1 2 400.429 5.435 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(Br)cc2)cc1 ZINC000005501292 560601172 /nfs/dbraw/zinc/60/11/72/560601172.db2.gz KUHBVMOPAIVSEZ-UHFFFAOYSA-N 1 2 411.328 5.179 50 0 HKAALO CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc([NH+](C)C)cc1 ZINC000005520844 557659641 /nfs/dbraw/zinc/65/96/41/557659641.db2.gz BCOVJSXEJSOGKO-UHFFFAOYSA-N 1 2 403.404 5.240 50 0 HKAALO Clc1ccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1Cl ZINC000005557229 560613410 /nfs/dbraw/zinc/61/34/10/560613410.db2.gz PISCBUDCEISLQU-UHFFFAOYSA-N 1 2 401.322 5.474 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c1C ZINC000005739340 560861822 /nfs/dbraw/zinc/86/18/22/560861822.db2.gz ZFXXGBLYTFMAIH-QFIPXVFZSA-N 1 2 417.534 6.115 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c1C ZINC000005739411 560861793 /nfs/dbraw/zinc/86/17/93/560861793.db2.gz ZFXXGBLYTFMAIH-JOCHJYFZSA-N 1 2 417.534 6.115 50 0 HKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCCCCCCC2)cc1 ZINC000005769322 568455228 /nfs/dbraw/zinc/45/52/28/568455228.db2.gz SYPVVXUHEFWHAR-UHFFFAOYSA-N 1 2 411.981 6.554 50 0 HKAALO CCc1[nH+]c(C)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 ZINC000005797468 568734427 /nfs/dbraw/zinc/73/44/27/568734427.db2.gz IVEUVLLORKZUFR-UHFFFAOYSA-N 1 2 404.554 5.686 50 0 HKAALO c1csc(Cc2nnc(SCc3cn4ccccc4[nH+]3)n2C2CCCCC2)c1 ZINC000005903062 568828987 /nfs/dbraw/zinc/82/89/87/568828987.db2.gz VILLEVHLDIQGOW-UHFFFAOYSA-N 1 2 409.584 5.376 50 0 HKAALO O=C1CCCC2=C1[C@@H](c1ccccc1Cl)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000005904488 568829156 /nfs/dbraw/zinc/82/91/56/568829156.db2.gz DZXQVIXJFVSDCM-LJQANCHMSA-N 1 2 408.914 5.910 50 0 HKAALO O=C1CCCC2=C1[C@H](c1ccccc1Cl)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000005904508 568829137 /nfs/dbraw/zinc/82/91/37/568829137.db2.gz DZXQVIXJFVSDCM-IBGZPJMESA-N 1 2 408.914 5.910 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(Oc3ccccc3)cc2c1NCCc1ccccc1 ZINC000005958588 568832366 /nfs/dbraw/zinc/83/23/66/568832366.db2.gz VRZPZLQPJVOOLZ-UHFFFAOYSA-N 1 2 412.489 5.858 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)COc3ccc4ccccc4c3)ccc2n1-c1ccccc1 ZINC000006025415 568835746 /nfs/dbraw/zinc/83/57/46/568835746.db2.gz IUBREVOVQNPUAD-UHFFFAOYSA-N 1 2 407.473 5.505 50 0 HKAALO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000006086212 568998238 /nfs/dbraw/zinc/99/82/38/568998238.db2.gz AXUDJJORLXCAQP-SFHVURJKSA-N 1 2 408.807 5.421 50 0 HKAALO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000006086213 557017278 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LMVDVTWOHQYFAV-UHFFFAOYSA-N 1 2 407.395 5.810 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cccc(C)c1 ZINC000008323772 568990465 /nfs/dbraw/zinc/99/04/65/568990465.db2.gz FETXSHWMOVYHIT-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cccc(C)c1 ZINC000008323772 568990467 /nfs/dbraw/zinc/99/04/67/568990467.db2.gz FETXSHWMOVYHIT-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)c(Cl)c1 ZINC000008344197 568994092 /nfs/dbraw/zinc/99/40/92/568994092.db2.gz ZIGMMFWNZAWVCB-UHFFFAOYSA-N 1 2 404.901 5.249 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)COc3ccc(Cl)cc3C)ccc2n1-c1ccccc1 ZINC000008395302 568999326 /nfs/dbraw/zinc/99/93/26/568999326.db2.gz DFJUBDDBSOVXGX-UHFFFAOYSA-N 1 2 405.885 5.313 50 0 HKAALO COc1ccc2c(c1)nc(SCc1cn3cccc(C)c3[nH+]1)cc2C(F)(F)F ZINC000008416393 569001825 /nfs/dbraw/zinc/00/18/25/569001825.db2.gz HTDRTFYNLKFVRP-UHFFFAOYSA-N 1 2 403.429 5.511 50 0 HKAALO Clc1ccc(Cn2c3ccccc3[nH+]c2NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008429860 557788189 /nfs/dbraw/zinc/78/81/89/557788189.db2.gz LAARDYYRBRIZFG-UHFFFAOYSA-N 1 2 416.739 6.657 50 0 HKAALO CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc5c(c4)OCO5)[nH+]c32)cc1 ZINC000008469053 569004335 /nfs/dbraw/zinc/00/43/35/569004335.db2.gz IIZBLZZWXADAST-UHFFFAOYSA-N 1 2 423.516 6.031 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)c3cccnc3)cc12 ZINC000008590501 571085157 /nfs/dbraw/zinc/08/51/57/571085157.db2.gz CKEBJNHMLAQDQM-UHFFFAOYSA-N 1 2 422.410 5.953 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)c1cccc(C)c1 ZINC000008609614 571093754 /nfs/dbraw/zinc/09/37/54/571093754.db2.gz OBKZWIBFUCJGID-UHFFFAOYSA-N 1 2 417.578 5.713 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)c1cccc(C)c1 ZINC000008609614 571093757 /nfs/dbraw/zinc/09/37/57/571093757.db2.gz OBKZWIBFUCJGID-UHFFFAOYSA-N 1 2 417.578 5.713 50 0 HKAALO CCCCOc1ccccc1-c1nc2c(c3[nH+]c4ccccc4n31)Cc1ccccc1O2 ZINC000008625774 557797351 /nfs/dbraw/zinc/79/73/51/557797351.db2.gz ZUMMYMOQRLWSGF-UHFFFAOYSA-N 1 2 421.500 6.425 50 0 HKAALO Clc1ccc(-c2cc3ncnc(NCc4ccc(-n5cc[nH+]c5)nc4)c3s2)cc1 ZINC000008704644 571103276 /nfs/dbraw/zinc/10/32/76/571103276.db2.gz VUKNKWNHAXMRKR-UHFFFAOYSA-N 1 2 418.913 5.205 50 0 HKAALO CCn1c(C)[nH+]c2cc(-c3nnc(-c4ccc(COc5ccccc5)cc4)o3)ccc21 ZINC000008706772 571103814 /nfs/dbraw/zinc/10/38/14/571103814.db2.gz CNUBWIMVFFWYJC-UHFFFAOYSA-N 1 2 410.477 5.661 50 0 HKAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1SCc1ccccc1F ZINC000008707705 571104256 /nfs/dbraw/zinc/10/42/56/571104256.db2.gz GWRFSYSUVGRIFC-UHFFFAOYSA-N 1 2 419.525 5.206 50 0 HKAALO Cc1n[nH]c(-c2ccc(OCC[NH+]3CCCCC3)cc2O)c1-c1ccc(Cl)cc1 ZINC000008743824 571111034 /nfs/dbraw/zinc/11/10/34/571111034.db2.gz SXNSSGUTRKALGZ-UHFFFAOYSA-N 1 2 411.933 5.276 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccccc2F)c1C ZINC000008763399 571114370 /nfs/dbraw/zinc/11/43/70/571114370.db2.gz GCKAJAMSOVLXAJ-NRFANRHFSA-N 1 2 421.497 5.946 50 0 HKAALO Cc1[nH+]c2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(C(F)(F)F)cc1 ZINC000008873602 569390717 /nfs/dbraw/zinc/39/07/17/569390717.db2.gz DRGLBNMEDWQLOR-UHFFFAOYSA-N 1 2 420.434 7.049 50 0 HKAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008936110 571163939 /nfs/dbraw/zinc/16/39/39/571163939.db2.gz YLKSVHSGXFTCBJ-CQSZACIVSA-N 1 2 416.319 5.009 50 0 HKAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008936110 571163941 /nfs/dbraw/zinc/16/39/41/571163941.db2.gz YLKSVHSGXFTCBJ-CQSZACIVSA-N 1 2 416.319 5.009 50 0 HKAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008936115 571163932 /nfs/dbraw/zinc/16/39/32/571163932.db2.gz YLKSVHSGXFTCBJ-AWEZNQCLSA-N 1 2 416.319 5.009 50 0 HKAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008936115 571163933 /nfs/dbraw/zinc/16/39/33/571163933.db2.gz YLKSVHSGXFTCBJ-AWEZNQCLSA-N 1 2 416.319 5.009 50 0 HKAALO Cc1oc2c(ccc3c2CN(c2ccc([NH+](C)C)cc2)CO3)c(=O)c1-c1ccccc1 ZINC000008991885 571207405 /nfs/dbraw/zinc/20/74/05/571207405.db2.gz YYDARAWLDVUOSR-UHFFFAOYSA-N 1 2 412.489 5.191 50 0 biogenic HKAALO OCCn1c(-c2ccc(Cl)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000009060045 571217224 /nfs/dbraw/zinc/21/72/24/571217224.db2.gz NSZRBXBHMFOBTE-UHFFFAOYSA-N 1 2 413.908 5.783 50 0 HKAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 ZINC000009112179 571223510 /nfs/dbraw/zinc/22/35/10/571223510.db2.gz BLABIDFMCXDWOH-GOSISDBHSA-N 1 2 405.567 5.146 50 0 HKAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 ZINC000009112179 571223512 /nfs/dbraw/zinc/22/35/12/571223512.db2.gz BLABIDFMCXDWOH-GOSISDBHSA-N 1 2 405.567 5.146 50 0 HKAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 ZINC000009112180 571223500 /nfs/dbraw/zinc/22/35/00/571223500.db2.gz BLABIDFMCXDWOH-SFHVURJKSA-N 1 2 405.567 5.146 50 0 HKAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 ZINC000009112180 571223502 /nfs/dbraw/zinc/22/35/02/571223502.db2.gz BLABIDFMCXDWOH-SFHVURJKSA-N 1 2 405.567 5.146 50 0 HKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3ccccc3Cl)cc12 ZINC000009153324 571231379 /nfs/dbraw/zinc/23/13/79/571231379.db2.gz NWXHTVBTJROBEK-UHFFFAOYSA-N 1 2 422.315 6.846 50 0 HKAALO Cc1cc(Nc2ccc([NH+](C)C)cc2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000009185330 571234914 /nfs/dbraw/zinc/23/49/14/571234914.db2.gz YPKXTXNQOIMTEU-UHFFFAOYSA-N 1 2 400.530 5.207 50 0 HKAALO COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000009288238 557834548 /nfs/dbraw/zinc/83/45/48/557834548.db2.gz STCCWGHFBGPYCO-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000009288239 557834617 /nfs/dbraw/zinc/83/46/17/557834617.db2.gz STCCWGHFBGPYCO-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000009288275 557834583 /nfs/dbraw/zinc/83/45/83/557834583.db2.gz JMBVGAJRCYXPKZ-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000009288278 557834593 /nfs/dbraw/zinc/83/45/93/557834593.db2.gz JMBVGAJRCYXPKZ-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000009288296 557834622 /nfs/dbraw/zinc/83/46/22/557834622.db2.gz NYIHPSJNDAQERS-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000009288298 557834555 /nfs/dbraw/zinc/83/45/55/557834555.db2.gz NYIHPSJNDAQERS-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000009288532 557834627 /nfs/dbraw/zinc/83/46/27/557834627.db2.gz ITKDTTUXTYJFIG-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000009288533 557834636 /nfs/dbraw/zinc/83/46/36/557834636.db2.gz ITKDTTUXTYJFIG-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000009288558 557834631 /nfs/dbraw/zinc/83/46/31/557834631.db2.gz TZKIMGYHGCZQQC-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000009288559 557834598 /nfs/dbraw/zinc/83/45/98/557834598.db2.gz TZKIMGYHGCZQQC-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000009288566 557834639 /nfs/dbraw/zinc/83/46/39/557834639.db2.gz DZWVWYPOHKIMEM-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000009288568 557834602 /nfs/dbraw/zinc/83/46/02/557834602.db2.gz DZWVWYPOHKIMEM-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000009289135 571245386 /nfs/dbraw/zinc/24/53/86/571245386.db2.gz PJGRIVWCPYNKAG-UHFFFAOYSA-N 1 2 418.305 5.884 50 0 HKAALO CSc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000009289137 571245319 /nfs/dbraw/zinc/24/53/19/571245319.db2.gz AMXOAIWGOOGRLK-UHFFFAOYSA-N 1 2 423.925 5.891 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccccc2C)ccc1O ZINC000009289143 571245314 /nfs/dbraw/zinc/24/53/14/571245314.db2.gz FWWVMJQLKVYGFI-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Br)cn21 ZINC000009289145 571245341 /nfs/dbraw/zinc/24/53/41/571245341.db2.gz WRURXRHHKIXFAL-UHFFFAOYSA-N 1 2 421.342 5.882 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009289254 557834560 /nfs/dbraw/zinc/83/45/60/557834560.db2.gz AGJSNWLNMBHLQH-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000009289256 557834588 /nfs/dbraw/zinc/83/45/88/557834588.db2.gz AGJSNWLNMBHLQH-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Br)cn3c2Nc2ccc(C)cc2)ccc1O ZINC000009290193 571245466 /nfs/dbraw/zinc/24/54/66/571245466.db2.gz GARJICQHGYHECD-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291355 571245655 /nfs/dbraw/zinc/24/56/55/571245655.db2.gz QNVLQJZPGKNICT-CTNGQTDRSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291357 571245570 /nfs/dbraw/zinc/24/55/70/571245570.db2.gz QNVLQJZPGKNICT-TZIWHRDSSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291359 571245659 /nfs/dbraw/zinc/24/56/59/571245659.db2.gz QNVLQJZPGKNICT-FPOVZHCZSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291360 571245563 /nfs/dbraw/zinc/24/55/63/571245563.db2.gz QNVLQJZPGKNICT-PZJWPPBQSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291378 571245633 /nfs/dbraw/zinc/24/56/33/571245633.db2.gz QSULNCBFCZISDR-CTNGQTDRSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009291379 571245586 /nfs/dbraw/zinc/24/55/86/571245586.db2.gz QSULNCBFCZISDR-PZJWPPBQSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000009292397 571245678 /nfs/dbraw/zinc/24/56/78/571245678.db2.gz SYBBVXWKLQAOTA-CTNGQTDRSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000009292398 571245716 /nfs/dbraw/zinc/24/57/16/571245716.db2.gz SYBBVXWKLQAOTA-TZIWHRDSSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000009292399 571245774 /nfs/dbraw/zinc/24/57/74/571245774.db2.gz SYBBVXWKLQAOTA-FPOVZHCZSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21 ZINC000009292400 571245725 /nfs/dbraw/zinc/24/57/25/571245725.db2.gz SYBBVXWKLQAOTA-PZJWPPBQSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009292484 571245793 /nfs/dbraw/zinc/24/57/93/571245793.db2.gz QSULNCBFCZISDR-TZIWHRDSSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000009292485 571245709 /nfs/dbraw/zinc/24/57/09/571245709.db2.gz QSULNCBFCZISDR-FPOVZHCZSA-N 1 2 422.301 6.084 50 0 HKAALO COc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009292718 571245692 /nfs/dbraw/zinc/24/56/92/571245692.db2.gz NODIDDNOQMKCQW-IRLDBZIGSA-N 1 2 424.331 6.498 50 0 HKAALO COc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009292719 571245786 /nfs/dbraw/zinc/24/57/86/571245786.db2.gz NODIDDNOQMKCQW-IFMALSPDSA-N 1 2 424.331 6.498 50 0 HKAALO COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009292720 571245730 /nfs/dbraw/zinc/24/57/30/571245730.db2.gz NODIDDNOQMKCQW-UNMCSNQZSA-N 1 2 424.331 6.498 50 0 HKAALO COc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009292721 571245756 /nfs/dbraw/zinc/24/57/56/571245756.db2.gz NODIDDNOQMKCQW-RBBKRZOGSA-N 1 2 424.331 6.498 50 0 HKAALO Cc1cccc2[nH+]c(-c3cccc4cccnc43)c(Nc3cccc(C(F)(F)F)c3)n21 ZINC000009307034 571246838 /nfs/dbraw/zinc/24/68/38/571246838.db2.gz ADAPMHMJLBSKAY-UHFFFAOYSA-N 1 2 418.422 6.620 50 0 HKAALO Cc1cccn2c(Nc3cccc(C(F)(F)F)c3)c(-c3cccc4cccnc43)[nH+]c12 ZINC000009308515 571246843 /nfs/dbraw/zinc/24/68/43/571246843.db2.gz MJABBJMFIMJVDA-UHFFFAOYSA-N 1 2 418.422 6.620 50 0 HKAALO Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009308777 571247059 /nfs/dbraw/zinc/24/70/59/571247059.db2.gz GWYANDBZRBVFQY-CTNGQTDRSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009308778 571246930 /nfs/dbraw/zinc/24/69/30/571246930.db2.gz GWYANDBZRBVFQY-TZIWHRDSSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009308779 571246982 /nfs/dbraw/zinc/24/69/82/571246982.db2.gz GWYANDBZRBVFQY-FPOVZHCZSA-N 1 2 422.301 6.084 50 0 HKAALO Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000009308780 571246960 /nfs/dbraw/zinc/24/69/60/571246960.db2.gz GWYANDBZRBVFQY-PZJWPPBQSA-N 1 2 422.301 6.084 50 0 HKAALO Clc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000009320610 571248021 /nfs/dbraw/zinc/24/80/21/571248021.db2.gz DZPRLJRXDCGJBW-UHFFFAOYSA-N 1 2 421.740 6.068 50 0 HKAALO COc1c(C)c[nH+]c(CSc2nnc(-c3cccnc3)n2C2CCCCC2)c1C ZINC000009356333 557838789 /nfs/dbraw/zinc/83/87/89/557838789.db2.gz GWDQLZIFWRRBJC-UHFFFAOYSA-N 1 2 409.559 5.158 50 0 HKAALO Cc1[nH+]c2cc(NC(=O)c3sc4ccccc4c3Cl)ccc2n1-c1ccccc1 ZINC000009369225 571252573 /nfs/dbraw/zinc/25/25/73/571252573.db2.gz BEZKKROHELYRRN-UHFFFAOYSA-N 1 2 417.921 6.454 50 0 HKAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1SCc1ccsc1 ZINC000009378143 571253338 /nfs/dbraw/zinc/25/33/38/571253338.db2.gz JVPYFMWUTKAXCL-UHFFFAOYSA-N 1 2 407.564 5.129 50 0 HKAALO CCCCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009378421 571253449 /nfs/dbraw/zinc/25/34/49/571253449.db2.gz MHNMEIRGWVTEHB-HXUWFJFHSA-N 1 2 418.566 5.352 50 0 HKAALO CCCCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009378422 571253474 /nfs/dbraw/zinc/25/34/74/571253474.db2.gz MHNMEIRGWVTEHB-FQEVSTJZSA-N 1 2 418.566 5.352 50 0 HKAALO Clc1ccc2[nH+]c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cn2c1 ZINC000009403820 571255062 /nfs/dbraw/zinc/25/50/62/571255062.db2.gz BZGIOBQWZHLQBX-UHFFFAOYSA-N 1 2 417.925 5.528 50 0 HKAALO Cc1cc(Nc2cc(Nc3cc(C)c4ccccc4[nH+]3)ccc2Cl)nc2ccccc12 ZINC000009411237 571255862 /nfs/dbraw/zinc/25/58/62/571255862.db2.gz XJJYCLHFYHNLDN-UHFFFAOYSA-N 1 2 424.935 7.540 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)cs2)cc1 ZINC000009451053 571259935 /nfs/dbraw/zinc/25/99/35/571259935.db2.gz XTKWUWZTQFBHKA-HXUWFJFHSA-N 1 2 411.596 5.789 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)cs2)cc1 ZINC000009451053 571259936 /nfs/dbraw/zinc/25/99/36/571259936.db2.gz XTKWUWZTQFBHKA-HXUWFJFHSA-N 1 2 411.596 5.789 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)cs2)cc1 ZINC000009451057 571259920 /nfs/dbraw/zinc/25/99/20/571259920.db2.gz XTKWUWZTQFBHKA-FQEVSTJZSA-N 1 2 411.596 5.789 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@H]3c3cccs3)cs2)cc1 ZINC000009451057 571259921 /nfs/dbraw/zinc/25/99/21/571259921.db2.gz XTKWUWZTQFBHKA-FQEVSTJZSA-N 1 2 411.596 5.789 50 0 HKAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000009466717 571261186 /nfs/dbraw/zinc/26/11/86/571261186.db2.gz JRBCQNFOKLPEMT-JOCHJYFZSA-N 1 2 417.896 5.385 50 0 HKAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000009466720 571261190 /nfs/dbraw/zinc/26/11/90/571261190.db2.gz JRBCQNFOKLPEMT-QFIPXVFZSA-N 1 2 417.896 5.385 50 0 HKAALO COc1ccccc1-n1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1cccs1 ZINC000009466966 571261157 /nfs/dbraw/zinc/26/11/57/571261157.db2.gz FHCHCJORJMXRLZ-UHFFFAOYSA-N 1 2 422.579 5.230 50 0 HKAALO COc1ccccc1-n1c(=S)n(C[N@@H+](C)Cc2ccccc2)nc1-c1cccs1 ZINC000009466966 571261158 /nfs/dbraw/zinc/26/11/58/571261158.db2.gz FHCHCJORJMXRLZ-UHFFFAOYSA-N 1 2 422.579 5.230 50 0 HKAALO C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009477313 571261751 /nfs/dbraw/zinc/26/17/51/571261751.db2.gz QVYGMYXLXRXMPI-KRWDZBQOSA-N 1 2 403.457 5.081 50 0 HKAALO C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009477315 571261737 /nfs/dbraw/zinc/26/17/37/571261737.db2.gz QVYGMYXLXRXMPI-QGZVFWFLSA-N 1 2 403.457 5.081 50 0 HKAALO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000009490959 571262802 /nfs/dbraw/zinc/26/28/02/571262802.db2.gz GSBCXNHYFWLQOO-IBGZPJMESA-N 1 2 419.834 5.223 50 0 HKAALO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000009490960 571262748 /nfs/dbraw/zinc/26/27/48/571262748.db2.gz GSBCXNHYFWLQOO-LJQANCHMSA-N 1 2 419.834 5.223 50 0 HKAALO CCOc1ccc([C@@H]2C[C@H](c3ccccc3F)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000009496680 571263189 /nfs/dbraw/zinc/26/31/89/571263189.db2.gz ZTSZAMUADDQYKD-RBBKRZOGSA-N 1 2 421.903 6.374 50 0 HKAALO CCOc1ccc([C@H]2C[C@H](c3ccccc3F)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000009496682 571263191 /nfs/dbraw/zinc/26/31/91/571263191.db2.gz ZTSZAMUADDQYKD-IFMALSPDSA-N 1 2 421.903 6.374 50 0 HKAALO CCOc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000009496684 571263181 /nfs/dbraw/zinc/26/31/81/571263181.db2.gz ZTSZAMUADDQYKD-UNMCSNQZSA-N 1 2 421.903 6.374 50 0 HKAALO CCOc1ccc([C@H]2C[C@@H](c3ccccc3F)n3c4ccccc4[nH+]c3N2)cc1Cl ZINC000009496688 571263212 /nfs/dbraw/zinc/26/32/12/571263212.db2.gz ZTSZAMUADDQYKD-IRLDBZIGSA-N 1 2 421.903 6.374 50 0 HKAALO CC[N@H+](CCCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)c1ccccc1 ZINC000009528692 571266445 /nfs/dbraw/zinc/26/64/45/571266445.db2.gz YLASFPSGYSXTMX-UHFFFAOYSA-N 1 2 403.551 5.404 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)c1ccccc1 ZINC000009528692 571266447 /nfs/dbraw/zinc/26/64/47/571266447.db2.gz YLASFPSGYSXTMX-UHFFFAOYSA-N 1 2 403.551 5.404 50 0 HKAALO Cc1cc(C)cc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000009531282 571266931 /nfs/dbraw/zinc/26/69/31/571266931.db2.gz XGWDNMLRKJNDSJ-UHFFFAOYSA-N 1 2 424.935 7.101 50 0 HKAALO Cc1cc(C)cc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000009531415 571267049 /nfs/dbraw/zinc/26/70/49/571267049.db2.gz AEFAVYSXRWNTFN-UHFFFAOYSA-N 1 2 424.935 7.101 50 0 HKAALO CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccc(Cl)cc1Cl ZINC000009568771 571268652 /nfs/dbraw/zinc/26/86/52/571268652.db2.gz RUROACDRMLGPEE-UHFFFAOYSA-N 1 2 404.326 5.212 50 0 HKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000009573296 571269200 /nfs/dbraw/zinc/26/92/00/571269200.db2.gz IIZXODRAIINQCR-UHFFFAOYSA-N 1 2 415.419 5.232 50 0 HKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000009573297 571269236 /nfs/dbraw/zinc/26/92/36/571269236.db2.gz IHNVOEBSKFBYSQ-UHFFFAOYSA-N 1 2 415.419 5.232 50 0 HKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000009573298 571269218 /nfs/dbraw/zinc/26/92/18/571269218.db2.gz SOUYLCOTYOTGCT-UHFFFAOYSA-N 1 2 415.419 5.232 50 0 HKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000009573301 571269230 /nfs/dbraw/zinc/26/92/30/571269230.db2.gz INFVGIJGWCVYGH-UHFFFAOYSA-N 1 2 423.520 5.880 50 0 HKAALO CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(NCC)cc(C)[nH+]3)cc2)cc1 ZINC000009573311 571269212 /nfs/dbraw/zinc/26/92/12/571269212.db2.gz MNIHQHZOVMAFDS-UHFFFAOYSA-N 1 2 419.529 5.392 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)[nH+]1 ZINC000009573339 571269260 /nfs/dbraw/zinc/26/92/60/571269260.db2.gz PRCMSGRDLBBMKM-UHFFFAOYSA-N 1 2 423.520 5.534 50 0 HKAALO Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000009573351 571269266 /nfs/dbraw/zinc/26/92/66/571269266.db2.gz CNHIETGSMQQVQB-UHFFFAOYSA-N 1 2 401.514 5.080 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]1 ZINC000009573358 571269189 /nfs/dbraw/zinc/26/91/89/571269189.db2.gz GZVPMQTUMHTURJ-UHFFFAOYSA-N 1 2 415.541 5.090 50 0 HKAALO Cc1cc(C)cc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)cc(C)[nH+]3)cc2)c1 ZINC000009573360 571269274 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/nfs/dbraw/zinc/54/36/33/558543633.db2.gz YIIHINUJUHZFMP-UHFFFAOYSA-N 1 2 417.469 5.210 50 0 HKAALO Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc5cccnc54)cc3)[nH+]c12 ZINC000010895473 558547568 /nfs/dbraw/zinc/54/75/68/558547568.db2.gz BGAPUCOHJZIZSK-UHFFFAOYSA-N 1 2 408.461 5.022 50 0 HKAALO O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000011147781 558867991 /nfs/dbraw/zinc/86/79/91/558867991.db2.gz LPUOKUQADHKBQU-UHFFFAOYSA-N 1 2 418.472 5.128 50 0 HKAALO Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(Cl)cc3C)[nH+]c12 ZINC000011373844 559067219 /nfs/dbraw/zinc/06/72/19/559067219.db2.gz VRQBRYNJHKLIOV-UHFFFAOYSA-N 1 2 405.885 5.436 50 0 HKAALO COc1ccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000011373995 559067194 /nfs/dbraw/zinc/06/71/94/559067194.db2.gz NIODTBWRBQHLHW-UHFFFAOYSA-N 1 2 421.884 5.136 50 0 HKAALO Cc1cccn2cc(COc3ccccc3C(=O)Nc3cc(Cl)ccc3C)[nH+]c12 ZINC000011374022 559067207 /nfs/dbraw/zinc/06/72/07/559067207.db2.gz RZVUEQUNFUORKE-UHFFFAOYSA-N 1 2 405.885 5.436 50 0 HKAALO Cc1ccccc1CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416375 559073902 /nfs/dbraw/zinc/07/39/02/559073902.db2.gz MZHYHAKIVVTEJH-GOSISDBHSA-N 1 2 410.562 5.554 50 0 HKAALO Cc1ccccc1CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416376 559073876 /nfs/dbraw/zinc/07/38/76/559073876.db2.gz MZHYHAKIVVTEJH-SFHVURJKSA-N 1 2 410.562 5.554 50 0 HKAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4cccc(Cl)c4C)c3)cn2c1 ZINC000011608828 559113422 /nfs/dbraw/zinc/11/34/22/559113422.db2.gz KRIGWPNANIWXDQ-UHFFFAOYSA-N 1 2 405.885 5.436 50 0 HKAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4cccc5ncccc54)c3)cn2c1 ZINC000011653138 559122293 /nfs/dbraw/zinc/12/22/93/559122293.db2.gz QFCZNXVBARKUCH-UHFFFAOYSA-N 1 2 408.461 5.022 50 0 HKAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)cn2c1 ZINC000011660425 559124076 /nfs/dbraw/zinc/12/40/76/559124076.db2.gz WHHADXVVITTYSK-UHFFFAOYSA-N 1 2 423.516 5.151 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2csc(C)n2)c(F)c1 ZINC000011661806 558265618 /nfs/dbraw/zinc/26/56/18/558265618.db2.gz XPSIXTYTPLUZRE-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2csc(C)n2)c(F)c1 ZINC000011661806 558265620 /nfs/dbraw/zinc/26/56/20/558265620.db2.gz XPSIXTYTPLUZRE-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1OC ZINC000011662589 558266493 /nfs/dbraw/zinc/26/64/93/558266493.db2.gz PJCBVKGXOSJXDZ-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1OC ZINC000011662589 558266495 /nfs/dbraw/zinc/26/64/95/558266495.db2.gz PJCBVKGXOSJXDZ-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666545 558268950 /nfs/dbraw/zinc/26/89/50/558268950.db2.gz MARPKYFDRPVYMS-JOCHJYFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666545 558268953 /nfs/dbraw/zinc/26/89/53/558268953.db2.gz MARPKYFDRPVYMS-JOCHJYFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666551 558268830 /nfs/dbraw/zinc/26/88/30/558268830.db2.gz MARPKYFDRPVYMS-QFIPXVFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666551 558268833 /nfs/dbraw/zinc/26/88/33/558268833.db2.gz MARPKYFDRPVYMS-QFIPXVFZSA-N 1 2 402.542 5.360 50 0 HKAALO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1nccs1 ZINC000011753678 558272515 /nfs/dbraw/zinc/27/25/15/558272515.db2.gz BDGNXAJEBRRWDS-UHFFFAOYSA-N 1 2 414.534 5.433 50 0 HKAALO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1nccs1 ZINC000011753678 558272518 /nfs/dbraw/zinc/27/25/18/558272518.db2.gz BDGNXAJEBRRWDS-UHFFFAOYSA-N 1 2 414.534 5.433 50 0 HKAALO Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)cc2c1C ZINC000011762390 559258592 /nfs/dbraw/zinc/25/85/92/559258592.db2.gz XENBFZNAHWTUIV-UHFFFAOYSA-N 1 2 416.550 5.052 50 0 HKAALO Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)cc2c1C ZINC000011762390 559258593 /nfs/dbraw/zinc/25/85/93/559258593.db2.gz XENBFZNAHWTUIV-UHFFFAOYSA-N 1 2 416.550 5.052 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(Cl)sc1Cl ZINC000011765115 559258766 /nfs/dbraw/zinc/25/87/66/559258766.db2.gz HKPPZFIHZGCCGI-UHFFFAOYSA-N 1 2 424.378 5.322 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(Cl)sc1Cl ZINC000011765115 559258767 /nfs/dbraw/zinc/25/87/67/559258767.db2.gz HKPPZFIHZGCCGI-UHFFFAOYSA-N 1 2 424.378 5.322 50 0 HKAALO CC(C)CC(=O)[C@@H]1CCC[N@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771166 558274279 /nfs/dbraw/zinc/27/42/79/558274279.db2.gz OAHXQKIREIGKSK-JOCHJYFZSA-N 1 2 417.553 5.077 50 0 HKAALO CC(C)CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771166 558274281 /nfs/dbraw/zinc/27/42/81/558274281.db2.gz OAHXQKIREIGKSK-JOCHJYFZSA-N 1 2 417.553 5.077 50 0 HKAALO CC(C)CC(=O)[C@H]1CCC[N@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771173 558274295 /nfs/dbraw/zinc/27/42/95/558274295.db2.gz OAHXQKIREIGKSK-QFIPXVFZSA-N 1 2 417.553 5.077 50 0 HKAALO CC(C)CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771173 558274297 /nfs/dbraw/zinc/27/42/97/558274297.db2.gz OAHXQKIREIGKSK-QFIPXVFZSA-N 1 2 417.553 5.077 50 0 HKAALO COc1cc(-c2cnc3ccccc3c2)cc2c1OCC[N@H+](Cc1ccc(C)o1)C2 ZINC000011786641 558276166 /nfs/dbraw/zinc/27/61/66/558276166.db2.gz SOVUHOKESZDECI-UHFFFAOYSA-N 1 2 400.478 5.206 50 0 HKAALO COc1cc(-c2cnc3ccccc3c2)cc2c1OCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000011786641 558276169 /nfs/dbraw/zinc/27/61/69/558276169.db2.gz SOVUHOKESZDECI-UHFFFAOYSA-N 1 2 400.478 5.206 50 0 HKAALO Cc1c[nH]c(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000011820124 558283302 /nfs/dbraw/zinc/28/33/02/558283302.db2.gz UYMBHOPOXJOXBT-UHFFFAOYSA-N 1 2 411.509 5.008 50 0 HKAALO Cc1c[nH]c(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000011820124 558283306 /nfs/dbraw/zinc/28/33/06/558283306.db2.gz UYMBHOPOXJOXBT-UHFFFAOYSA-N 1 2 411.509 5.008 50 0 HKAALO Cc1c[nH]c(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH+]1 ZINC000011820124 558283310 /nfs/dbraw/zinc/28/33/10/558283310.db2.gz UYMBHOPOXJOXBT-UHFFFAOYSA-N 1 2 411.509 5.008 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000011820526 558284041 /nfs/dbraw/zinc/28/40/41/558284041.db2.gz VSVNKHNVIXCHNC-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000011820526 558284044 /nfs/dbraw/zinc/28/40/44/558284044.db2.gz VSVNKHNVIXCHNC-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000011820527 558283968 /nfs/dbraw/zinc/28/39/68/558283968.db2.gz VSVNKHNVIXCHNC-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000011820527 558283971 /nfs/dbraw/zinc/28/39/71/558283971.db2.gz VSVNKHNVIXCHNC-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838480 558285260 /nfs/dbraw/zinc/28/52/60/558285260.db2.gz JZHNGXMGGWUVDW-QGZVFWFLSA-N 1 2 406.530 5.636 50 0 HKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838480 558285264 /nfs/dbraw/zinc/28/52/64/558285264.db2.gz JZHNGXMGGWUVDW-QGZVFWFLSA-N 1 2 406.530 5.636 50 0 HKAALO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838482 558285295 /nfs/dbraw/zinc/28/52/95/558285295.db2.gz JZHNGXMGGWUVDW-KRWDZBQOSA-N 1 2 406.530 5.636 50 0 HKAALO Cc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838482 558285298 /nfs/dbraw/zinc/28/52/98/558285298.db2.gz JZHNGXMGGWUVDW-KRWDZBQOSA-N 1 2 406.530 5.636 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H](C)c2nccs2)c(F)c1 ZINC000011843013 558287909 /nfs/dbraw/zinc/28/79/09/558287909.db2.gz NJUUFYXOZHOWSI-INIZCTEOSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)c2nccs2)c(F)c1 ZINC000011843013 558287911 /nfs/dbraw/zinc/28/79/11/558287911.db2.gz NJUUFYXOZHOWSI-INIZCTEOSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H](C)c2nccs2)c(F)c1 ZINC000011843014 558287974 /nfs/dbraw/zinc/28/79/74/558287974.db2.gz NJUUFYXOZHOWSI-MRXNPFEDSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)c2nccs2)c(F)c1 ZINC000011843014 558287976 /nfs/dbraw/zinc/28/79/76/558287976.db2.gz NJUUFYXOZHOWSI-MRXNPFEDSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872869 558290681 /nfs/dbraw/zinc/29/06/81/558290681.db2.gz GFJXNWRAIUGKBW-INIZCTEOSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872869 558290682 /nfs/dbraw/zinc/29/06/82/558290682.db2.gz GFJXNWRAIUGKBW-INIZCTEOSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-n2cc(C[N@H+](C)[C@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872870 558290872 /nfs/dbraw/zinc/29/08/72/558290872.db2.gz GFJXNWRAIUGKBW-MRXNPFEDSA-N 1 2 422.529 5.337 50 0 HKAALO COc1ccc(-n2cc(C[N@@H+](C)[C@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872870 558290875 /nfs/dbraw/zinc/29/08/75/558290875.db2.gz GFJXNWRAIUGKBW-MRXNPFEDSA-N 1 2 422.529 5.337 50 0 HKAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2cccc3ccccc32)oc1C)C1CC1 ZINC000011879025 558293716 /nfs/dbraw/zinc/29/37/16/558293716.db2.gz BOPLNMFAWBFQBL-UHFFFAOYSA-N 1 2 400.526 5.318 50 0 HKAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2cccc3ccccc32)oc1C)C1CC1 ZINC000011879025 558293718 /nfs/dbraw/zinc/29/37/18/558293718.db2.gz BOPLNMFAWBFQBL-UHFFFAOYSA-N 1 2 400.526 5.318 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000011934650 132352414 /nfs/dbraw/zinc/35/24/14/132352414.db2.gz XWQQYXITSXNBPG-UHFFFAOYSA-N 1 2 410.521 5.034 50 0 HKAALO Cc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011934960 558299164 /nfs/dbraw/zinc/29/91/64/558299164.db2.gz NWRBXGUFDPVPBR-UHFFFAOYSA-N 1 2 417.431 5.107 50 0 HKAALO Oc1cc(-c2cccs2)cc2c1OCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000012035063 558311641 /nfs/dbraw/zinc/31/16/41/558311641.db2.gz MZONARFWHVKMKO-UHFFFAOYSA-N 1 2 405.441 5.534 50 0 HKAALO Oc1cc(-c2cccs2)cc2c1OCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000012035063 558311644 /nfs/dbraw/zinc/31/16/44/558311644.db2.gz MZONARFWHVKMKO-UHFFFAOYSA-N 1 2 405.441 5.534 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000012090668 558323904 /nfs/dbraw/zinc/32/39/04/558323904.db2.gz VLNDUOWLHIJJTC-JOCHJYFZSA-N 1 2 401.535 6.111 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000012090668 558323909 /nfs/dbraw/zinc/32/39/09/558323909.db2.gz VLNDUOWLHIJJTC-JOCHJYFZSA-N 1 2 401.535 6.111 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000012090671 558323980 /nfs/dbraw/zinc/32/39/80/558323980.db2.gz VLNDUOWLHIJJTC-QFIPXVFZSA-N 1 2 401.535 6.111 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000012090671 558323984 /nfs/dbraw/zinc/32/39/84/558323984.db2.gz VLNDUOWLHIJJTC-QFIPXVFZSA-N 1 2 401.535 6.111 50 0 HKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(CO)o2)c(C)c1C ZINC000012093489 558324842 /nfs/dbraw/zinc/32/48/42/558324842.db2.gz NQIIPQNKDZBKHW-SANMLTNESA-N 1 2 416.521 5.026 50 0 HKAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(CO)o2)c(C)c1C ZINC000012093489 558324844 /nfs/dbraw/zinc/32/48/44/558324844.db2.gz NQIIPQNKDZBKHW-SANMLTNESA-N 1 2 416.521 5.026 50 0 HKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc(CO)o2)c(C)c1C ZINC000012093491 558324769 /nfs/dbraw/zinc/32/47/69/558324769.db2.gz NQIIPQNKDZBKHW-AREMUKBSSA-N 1 2 416.521 5.026 50 0 HKAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc(CO)o2)c(C)c1C ZINC000012093491 558324772 /nfs/dbraw/zinc/32/47/72/558324772.db2.gz NQIIPQNKDZBKHW-AREMUKBSSA-N 1 2 416.521 5.026 50 0 HKAALO Clc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(Cl)c1 ZINC000012132501 560890001 /nfs/dbraw/zinc/89/00/01/560890001.db2.gz HSPDDLNEGNMVFG-UHFFFAOYSA-N 1 2 419.381 5.462 50 0 HKAALO FC(F)(F)c1ccccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000012132559 560890053 /nfs/dbraw/zinc/89/00/53/560890053.db2.gz PFEAQDVSUADOIM-UHFFFAOYSA-N 1 2 418.488 5.174 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2nc(C)cs2)c(F)c1 ZINC000012193362 558348602 /nfs/dbraw/zinc/34/86/02/558348602.db2.gz MVIRQXGWEHRUQG-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2nc(C)cs2)c(F)c1 ZINC000012193362 558348604 /nfs/dbraw/zinc/34/86/04/558348604.db2.gz MVIRQXGWEHRUQG-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2csc(C)n2)cc1 ZINC000012197912 558350284 /nfs/dbraw/zinc/35/02/84/558350284.db2.gz KXNKJIMDVFARIM-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2csc(C)n2)cc1 ZINC000012197912 558350287 /nfs/dbraw/zinc/35/02/87/558350287.db2.gz KXNKJIMDVFARIM-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000012198805 558350549 /nfs/dbraw/zinc/35/05/49/558350549.db2.gz VOZYTTRGARXEDK-UHFFFAOYSA-N 1 2 400.526 5.461 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000012198805 558350550 /nfs/dbraw/zinc/35/05/50/558350550.db2.gz VOZYTTRGARXEDK-UHFFFAOYSA-N 1 2 400.526 5.461 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+](CCO)Cc1cccs1 ZINC000012202895 558351788 /nfs/dbraw/zinc/35/17/88/558351788.db2.gz ZKPGLHADASHESG-UHFFFAOYSA-N 1 2 404.535 5.373 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000012202895 558351791 /nfs/dbraw/zinc/35/17/91/558351791.db2.gz ZKPGLHADASHESG-UHFFFAOYSA-N 1 2 404.535 5.373 50 0 HKAALO COc1cccc(-n2c(C[N@H+](C)C/C=C/c3ccccc3)nnc2SCC(C)C)c1 ZINC000012247380 558362048 /nfs/dbraw/zinc/36/20/48/558362048.db2.gz QJYXYJRBFCHDRO-FMIVXFBMSA-N 1 2 422.598 5.169 50 0 HKAALO COc1cccc(-n2c(C[N@@H+](C)C/C=C/c3ccccc3)nnc2SCC(C)C)c1 ZINC000012247380 558362051 /nfs/dbraw/zinc/36/20/51/558362051.db2.gz QJYXYJRBFCHDRO-FMIVXFBMSA-N 1 2 422.598 5.169 50 0 HKAALO Cc1nc(NCc2cccs2)sc1-c1ccn(CCCc2cccc(C)[nH+]2)n1 ZINC000012247871 558362085 /nfs/dbraw/zinc/36/20/85/558362085.db2.gz FFUIBVSHPQMXNF-UHFFFAOYSA-N 1 2 409.584 5.325 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000012297894 558367972 /nfs/dbraw/zinc/36/79/72/558367972.db2.gz IGKKJUCPPRPAIA-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000012297894 558367976 /nfs/dbraw/zinc/36/79/76/558367976.db2.gz IGKKJUCPPRPAIA-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000012297895 558367926 /nfs/dbraw/zinc/36/79/26/558367926.db2.gz IGKKJUCPPRPAIA-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000012297895 558367929 /nfs/dbraw/zinc/36/79/29/558367929.db2.gz IGKKJUCPPRPAIA-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000012299212 558369230 /nfs/dbraw/zinc/36/92/30/558369230.db2.gz PWWPKDHNQIGAMG-OAHLLOKOSA-N 1 2 400.931 5.460 50 0 HKAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000012299212 558369233 /nfs/dbraw/zinc/36/92/33/558369233.db2.gz PWWPKDHNQIGAMG-OAHLLOKOSA-N 1 2 400.931 5.460 50 0 HKAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@H](C(=O)c2cccs2)C1 ZINC000012299213 558369313 /nfs/dbraw/zinc/36/93/13/558369313.db2.gz PWWPKDHNQIGAMG-HNNXBMFYSA-N 1 2 400.931 5.460 50 0 HKAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H](C(=O)c2cccs2)C1 ZINC000012299213 558369315 /nfs/dbraw/zinc/36/93/15/558369315.db2.gz PWWPKDHNQIGAMG-HNNXBMFYSA-N 1 2 400.931 5.460 50 0 HKAALO CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1nccn1C ZINC000012300845 558370677 /nfs/dbraw/zinc/37/06/77/558370677.db2.gz ZMZHJGXHZMJBAK-UHFFFAOYSA-N 1 2 405.590 5.279 50 0 HKAALO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1nccn1C ZINC000012300845 558370681 /nfs/dbraw/zinc/37/06/81/558370681.db2.gz ZMZHJGXHZMJBAK-UHFFFAOYSA-N 1 2 405.590 5.279 50 0 HKAALO CCn1ccnc1C[N@H+](C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000012301302 558370900 /nfs/dbraw/zinc/37/09/00/558370900.db2.gz ALOMAXREJKNSED-UHFFFAOYSA-N 1 2 423.561 5.205 50 0 HKAALO CCn1ccnc1C[N@@H+](C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000012301302 558370902 /nfs/dbraw/zinc/37/09/02/558370902.db2.gz ALOMAXREJKNSED-UHFFFAOYSA-N 1 2 423.561 5.205 50 0 HKAALO CCn1cc[nH+]c1CN(C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000012301302 558370904 /nfs/dbraw/zinc/37/09/04/558370904.db2.gz ALOMAXREJKNSED-UHFFFAOYSA-N 1 2 423.561 5.205 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@@H+](C)Cc4cccc5cnccc54)n3)CCCC2)cc1 ZINC000012301508 558371290 /nfs/dbraw/zinc/37/12/90/558371290.db2.gz OESFBJYADAEHCK-UHFFFAOYSA-N 1 2 412.537 5.418 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@H+](C)Cc4cccc5cnccc54)n3)CCCC2)cc1 ZINC000012301508 558371293 /nfs/dbraw/zinc/37/12/93/558371293.db2.gz OESFBJYADAEHCK-UHFFFAOYSA-N 1 2 412.537 5.418 50 0 HKAALO COc1ccc(F)c(-c2nc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305930 558374877 /nfs/dbraw/zinc/37/48/77/558374877.db2.gz OZZMVUSPVBIJRJ-JOCHJYFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(F)c(-c2nc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305930 558374880 /nfs/dbraw/zinc/37/48/80/558374880.db2.gz OZZMVUSPVBIJRJ-JOCHJYFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(F)c(-c2nc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305932 558375037 /nfs/dbraw/zinc/37/50/37/558375037.db2.gz OZZMVUSPVBIJRJ-QFIPXVFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(F)c(-c2nc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305932 558375041 /nfs/dbraw/zinc/37/50/41/558375041.db2.gz OZZMVUSPVBIJRJ-QFIPXVFZSA-N 1 2 420.488 5.401 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)[C@H](C)c2ccon2)c(C)s1 ZINC000012314336 558377758 /nfs/dbraw/zinc/37/77/58/558377758.db2.gz MLUXNOMXJSMJIT-OAHLLOKOSA-N 1 2 410.518 5.538 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@H](C)c2ccon2)c(C)s1 ZINC000012314336 558377762 /nfs/dbraw/zinc/37/77/62/558377762.db2.gz MLUXNOMXJSMJIT-OAHLLOKOSA-N 1 2 410.518 5.538 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)[C@@H](C)c2ccon2)c(C)s1 ZINC000012314337 558377772 /nfs/dbraw/zinc/37/77/72/558377772.db2.gz MLUXNOMXJSMJIT-HNNXBMFYSA-N 1 2 410.518 5.538 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@@H](C)c2ccon2)c(C)s1 ZINC000012314337 558377775 /nfs/dbraw/zinc/37/77/75/558377775.db2.gz MLUXNOMXJSMJIT-HNNXBMFYSA-N 1 2 410.518 5.538 50 0 HKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@@H]1c1[nH+]ccn1C ZINC000012316305 558379659 /nfs/dbraw/zinc/37/96/59/558379659.db2.gz RRQUVHHXQSWBMP-GOSISDBHSA-N 1 2 404.436 5.130 50 0 HKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1c1[nH+]ccn1C ZINC000012316306 558379646 /nfs/dbraw/zinc/37/96/46/558379646.db2.gz RRQUVHHXQSWBMP-SFHVURJKSA-N 1 2 404.436 5.130 50 0 HKAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316584 558379902 /nfs/dbraw/zinc/37/99/02/558379902.db2.gz FKVFRWZEHSRXNW-JOCHJYFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316584 558379904 /nfs/dbraw/zinc/37/99/04/558379904.db2.gz FKVFRWZEHSRXNW-JOCHJYFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316585 558379999 /nfs/dbraw/zinc/37/99/99/558379999.db2.gz FKVFRWZEHSRXNW-QFIPXVFZSA-N 1 2 420.488 5.401 50 0 HKAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316585 558380002 /nfs/dbraw/zinc/38/00/02/558380002.db2.gz FKVFRWZEHSRXNW-QFIPXVFZSA-N 1 2 420.488 5.401 50 0 HKAALO Cn1cc(C[N@H+](C)Cc2cc(C3CC3)n[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012316616 558379828 /nfs/dbraw/zinc/37/98/28/558379828.db2.gz VWFSHBXFERDJSN-UHFFFAOYSA-N 1 2 413.525 5.112 50 0 HKAALO Cn1cc(C[N@@H+](C)Cc2cc(C3CC3)n[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012316616 558379831 /nfs/dbraw/zinc/37/98/31/558379831.db2.gz VWFSHBXFERDJSN-UHFFFAOYSA-N 1 2 413.525 5.112 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000012318863 558381802 /nfs/dbraw/zinc/38/18/02/558381802.db2.gz OYQPEFQPKQHVBB-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000012318863 558381803 /nfs/dbraw/zinc/38/18/03/558381803.db2.gz OYQPEFQPKQHVBB-HSZRJFAPSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000012318865 558381739 /nfs/dbraw/zinc/38/17/39/558381739.db2.gz OYQPEFQPKQHVBB-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000012318865 558381743 /nfs/dbraw/zinc/38/17/43/558381743.db2.gz OYQPEFQPKQHVBB-QHCPKHFHSA-N 1 2 405.473 5.006 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000012319202 558381758 /nfs/dbraw/zinc/38/17/58/558381758.db2.gz PCOHQQISOOURRI-JOCHJYFZSA-N 1 2 423.463 5.145 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000012319202 558381761 /nfs/dbraw/zinc/38/17/61/558381761.db2.gz PCOHQQISOOURRI-JOCHJYFZSA-N 1 2 423.463 5.145 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000012319203 558381795 /nfs/dbraw/zinc/38/17/95/558381795.db2.gz PCOHQQISOOURRI-QFIPXVFZSA-N 1 2 423.463 5.145 50 0 HKAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000012319203 558381798 /nfs/dbraw/zinc/38/17/98/558381798.db2.gz PCOHQQISOOURRI-QFIPXVFZSA-N 1 2 423.463 5.145 50 0 HKAALO O=C(c1cc2ccccc2s1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000012360311 558386875 /nfs/dbraw/zinc/38/68/75/558386875.db2.gz MZJQRJOFGNFZOY-UHFFFAOYSA-N 1 2 410.542 5.429 50 0 HKAALO OCCCCn1c(-c2ccccc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000012376994 558392235 /nfs/dbraw/zinc/39/22/35/558392235.db2.gz VVIDNRFFRZCFEU-UHFFFAOYSA-N 1 2 407.517 5.909 50 0 HKAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3NCc2ccc(Cl)cc2Cl)cc1 ZINC000012377812 568552259 /nfs/dbraw/zinc/55/22/59/568552259.db2.gz GNVVDGQHISHVTK-UHFFFAOYSA-N 1 2 418.715 5.447 50 0 HKAALO CC(C)(C)c1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2[C@H]2CC=CCC2)cc1 ZINC000012381729 558393577 /nfs/dbraw/zinc/39/35/77/558393577.db2.gz UNDQUGIVFLCGRH-PZJWPPBQSA-N 1 2 404.554 5.597 50 0 HKAALO CC(C)(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2[C@H]2CC=CCC2)cc1 ZINC000012381730 558393508 /nfs/dbraw/zinc/39/35/08/558393508.db2.gz UNDQUGIVFLCGRH-FPOVZHCZSA-N 1 2 404.554 5.597 50 0 HKAALO CC(C)(C)c1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2[C@@H]2CC=CCC2)cc1 ZINC000012381731 558393499 /nfs/dbraw/zinc/39/34/99/558393499.db2.gz UNDQUGIVFLCGRH-TZIWHRDSSA-N 1 2 404.554 5.597 50 0 HKAALO CC(C)(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2[C@@H]2CC=CCC2)cc1 ZINC000012381732 558393590 /nfs/dbraw/zinc/39/35/90/558393590.db2.gz UNDQUGIVFLCGRH-CTNGQTDRSA-N 1 2 404.554 5.597 50 0 HKAALO C[C@H](c1ccon1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385296 558394218 /nfs/dbraw/zinc/39/42/18/558394218.db2.gz KFENEJSDIYTKHE-GOSISDBHSA-N 1 2 412.493 5.526 50 0 HKAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385296 558394220 /nfs/dbraw/zinc/39/42/20/558394220.db2.gz KFENEJSDIYTKHE-GOSISDBHSA-N 1 2 412.493 5.526 50 0 HKAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385297 558394174 /nfs/dbraw/zinc/39/41/74/558394174.db2.gz KFENEJSDIYTKHE-SFHVURJKSA-N 1 2 412.493 5.526 50 0 HKAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385297 558394177 /nfs/dbraw/zinc/39/41/77/558394177.db2.gz KFENEJSDIYTKHE-SFHVURJKSA-N 1 2 412.493 5.526 50 0 HKAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C1CC1 ZINC000012387550 558396417 /nfs/dbraw/zinc/39/64/17/558396417.db2.gz JXLIQTRERGYDFR-UHFFFAOYSA-N 1 2 418.463 5.184 50 0 HKAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C1CC1 ZINC000012387550 558396421 /nfs/dbraw/zinc/39/64/21/558396421.db2.gz JXLIQTRERGYDFR-UHFFFAOYSA-N 1 2 418.463 5.184 50 0 HKAALO CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000012411744 558401034 /nfs/dbraw/zinc/40/10/34/558401034.db2.gz SJFIJCZSPIFPCZ-XMMPIXPASA-N 1 2 424.504 5.363 50 0 HKAALO CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000012411746 558401019 /nfs/dbraw/zinc/40/10/19/558401019.db2.gz SJFIJCZSPIFPCZ-DEOSSOPVSA-N 1 2 424.504 5.363 50 0 HKAALO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3nc(-c4cccs4)oc3C)c2C)cc1 ZINC000012431100 558405609 /nfs/dbraw/zinc/40/56/09/558405609.db2.gz KPOBBBZATAAVSD-CQSZACIVSA-N 1 2 408.527 5.065 50 0 HKAALO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3nc(-c4cccs4)oc3C)c2C)cc1 ZINC000012431101 558405736 /nfs/dbraw/zinc/40/57/36/558405736.db2.gz KPOBBBZATAAVSD-AWEZNQCLSA-N 1 2 408.527 5.065 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436269 558409115 /nfs/dbraw/zinc/40/91/15/558409115.db2.gz VZIVRPOAPVIJIJ-JOCHJYFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436269 558409116 /nfs/dbraw/zinc/40/91/16/558409116.db2.gz VZIVRPOAPVIJIJ-JOCHJYFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436270 558409101 /nfs/dbraw/zinc/40/91/01/558409101.db2.gz VZIVRPOAPVIJIJ-QFIPXVFZSA-N 1 2 402.542 5.360 50 0 HKAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436270 558409103 /nfs/dbraw/zinc/40/91/03/558409103.db2.gz VZIVRPOAPVIJIJ-QFIPXVFZSA-N 1 2 402.542 5.360 50 0 HKAALO c1ccc(C(c2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)c2ccccc2)cc1 ZINC000012436318 568722564 /nfs/dbraw/zinc/72/25/64/568722564.db2.gz YVZUZNAARFZBLK-UHFFFAOYSA-N 1 2 410.521 5.024 50 0 HKAALO CCOc1ccc/c(=[NH+]\C2CCCCC2)c2c(C)n(-c3cccc(OC)c3)c(C)c21 ZINC000012436728 558409337 /nfs/dbraw/zinc/40/93/37/558409337.db2.gz DVDGBADYEXAXDG-SLEBQGDGSA-N 1 2 404.554 5.888 50 0 biogenic HKAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442206 558412660 /nfs/dbraw/zinc/41/26/60/558412660.db2.gz AHHBCZYNLJEJGY-OAQYLSRUSA-N 1 2 407.535 5.207 50 0 HKAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442206 558412662 /nfs/dbraw/zinc/41/26/62/558412662.db2.gz AHHBCZYNLJEJGY-OAQYLSRUSA-N 1 2 407.535 5.207 50 0 HKAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442208 558412643 /nfs/dbraw/zinc/41/26/43/558412643.db2.gz AHHBCZYNLJEJGY-NRFANRHFSA-N 1 2 407.535 5.207 50 0 HKAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442208 558412645 /nfs/dbraw/zinc/41/26/45/558412645.db2.gz AHHBCZYNLJEJGY-NRFANRHFSA-N 1 2 407.535 5.207 50 0 HKAALO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444628 558413197 /nfs/dbraw/zinc/41/31/97/558413197.db2.gz GMYKFRKPFAPJMS-OAQYLSRUSA-N 1 2 422.529 5.724 50 0 HKAALO CSc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444628 558413200 /nfs/dbraw/zinc/41/32/00/558413200.db2.gz GMYKFRKPFAPJMS-OAQYLSRUSA-N 1 2 422.529 5.724 50 0 HKAALO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444632 558413513 /nfs/dbraw/zinc/41/35/13/558413513.db2.gz GMYKFRKPFAPJMS-NRFANRHFSA-N 1 2 422.529 5.724 50 0 HKAALO CSc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444632 558413516 /nfs/dbraw/zinc/41/35/16/558413516.db2.gz GMYKFRKPFAPJMS-NRFANRHFSA-N 1 2 422.529 5.724 50 0 HKAALO COc1cccc(-c2nc(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)c(C)o2)c1OC ZINC000012455888 558417116 /nfs/dbraw/zinc/41/71/16/558417116.db2.gz GNGPCHCDTPLUCY-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO COc1cccc(-c2nc(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)c(C)o2)c1OC ZINC000012455888 558417118 /nfs/dbraw/zinc/41/71/18/558417118.db2.gz GNGPCHCDTPLUCY-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO C[N@@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)Cc1nccs1 ZINC000012456692 558417451 /nfs/dbraw/zinc/41/74/51/558417451.db2.gz NKWAGJYNWAQNQW-UHFFFAOYSA-N 1 2 412.921 5.420 50 0 HKAALO C[N@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)Cc1nccs1 ZINC000012456692 558417454 /nfs/dbraw/zinc/41/74/54/558417454.db2.gz NKWAGJYNWAQNQW-UHFFFAOYSA-N 1 2 412.921 5.420 50 0 HKAALO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470353 558421703 /nfs/dbraw/zinc/42/17/03/558421703.db2.gz IHFKXAWBYDGFOC-LJQANCHMSA-N 1 2 405.523 5.605 50 0 HKAALO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470353 558421706 /nfs/dbraw/zinc/42/17/06/558421706.db2.gz IHFKXAWBYDGFOC-LJQANCHMSA-N 1 2 405.523 5.605 50 0 HKAALO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470358 558421794 /nfs/dbraw/zinc/42/17/94/558421794.db2.gz IHFKXAWBYDGFOC-IBGZPJMESA-N 1 2 405.523 5.605 50 0 HKAALO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470358 558421798 /nfs/dbraw/zinc/42/17/98/558421798.db2.gz IHFKXAWBYDGFOC-IBGZPJMESA-N 1 2 405.523 5.605 50 0 HKAALO Cc1cc(C[N@@H+](C)Cc2cc3cc(C)ccc3nc2OCc2ccccc2C)on1 ZINC000012512153 558423927 /nfs/dbraw/zinc/42/39/27/558423927.db2.gz OJRFINFYRFRPJK-UHFFFAOYSA-N 1 2 401.510 5.359 50 0 HKAALO Cc1cc(C[N@H+](C)Cc2cc3cc(C)ccc3nc2OCc2ccccc2C)on1 ZINC000012512153 558423930 /nfs/dbraw/zinc/42/39/30/558423930.db2.gz OJRFINFYRFRPJK-UHFFFAOYSA-N 1 2 401.510 5.359 50 0 HKAALO C[C@@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516907 568840590 /nfs/dbraw/zinc/84/05/90/568840590.db2.gz BNTDVMCMQKLYCH-QZTJIDSGSA-N 1 2 410.562 5.807 50 0 HKAALO C[C@H](c1nnc(S[C@@H](C)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000012516908 568840661 /nfs/dbraw/zinc/84/06/61/568840661.db2.gz BNTDVMCMQKLYCH-MSOLQXFVSA-N 1 2 410.562 5.807 50 0 HKAALO C[C@@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516909 568840577 /nfs/dbraw/zinc/84/05/77/568840577.db2.gz BNTDVMCMQKLYCH-ZWKOTPCHSA-N 1 2 410.562 5.807 50 0 HKAALO C[C@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516910 568840823 /nfs/dbraw/zinc/84/08/23/568840823.db2.gz BNTDVMCMQKLYCH-ROUUACIJSA-N 1 2 410.562 5.807 50 0 HKAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000012520677 568841178 /nfs/dbraw/zinc/84/11/78/568841178.db2.gz GMQGMWPIYGQCNI-UHFFFAOYSA-N 1 2 412.921 5.060 50 0 HKAALO O=P1(NCCCn2cc[nH+]c2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000012523820 568842521 /nfs/dbraw/zinc/84/25/21/568842521.db2.gz GZNDGCYFMZXLMS-UHFFFAOYSA-N 1 2 407.479 5.885 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524967 568842675 /nfs/dbraw/zinc/84/26/75/568842675.db2.gz LPIWOQOMKWKKQO-GOSISDBHSA-N 1 2 422.598 5.308 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524967 568842676 /nfs/dbraw/zinc/84/26/76/568842676.db2.gz LPIWOQOMKWKKQO-GOSISDBHSA-N 1 2 422.598 5.308 50 0 HKAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524968 568842691 /nfs/dbraw/zinc/84/26/91/568842691.db2.gz LPIWOQOMKWKKQO-SFHVURJKSA-N 1 2 422.598 5.308 50 0 HKAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524968 568842692 /nfs/dbraw/zinc/84/26/92/568842692.db2.gz LPIWOQOMKWKKQO-SFHVURJKSA-N 1 2 422.598 5.308 50 0 HKAALO Cc1ccc2cc(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(N3CCCCC3)[nH+]c2c1 ZINC000012532434 132362033 /nfs/dbraw/zinc/36/20/33/132362033.db2.gz YJWWVLUXCSCJPP-DEDYPNTBSA-N 1 2 403.913 5.680 50 0 HKAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012535399 568845206 /nfs/dbraw/zinc/84/52/06/568845206.db2.gz WLLVJHMHIDOHJY-UHFFFAOYSA-N 1 2 413.399 5.054 50 0 HKAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012535498 568845269 /nfs/dbraw/zinc/84/52/69/568845269.db2.gz ABJZXMIUMKWCCK-DEOSSOPVSA-N 1 2 413.546 5.081 50 0 HKAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012535499 568845306 /nfs/dbraw/zinc/84/53/06/568845306.db2.gz ABJZXMIUMKWCCK-XMMPIXPASA-N 1 2 413.546 5.081 50 0 HKAALO COc1ccc(C(=O)Oc2c(C)c(C)c(O)c(C)c2Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000012538461 568846559 /nfs/dbraw/zinc/84/65/59/568846559.db2.gz NSUSRLWQVVKLCQ-UHFFFAOYSA-N 1 2 416.477 5.012 50 0 HKAALO O=C(CCSCc1cn2ccccc2[nH+]1)Nc1ccccc1Cc1ccccc1 ZINC000012539938 568847276 /nfs/dbraw/zinc/84/72/76/568847276.db2.gz WIRYYDNHXYTUKV-UHFFFAOYSA-N 1 2 401.535 5.187 50 0 HKAALO Cc1cc(C)c(NC(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)c(C)c1 ZINC000012540097 568847314 /nfs/dbraw/zinc/84/73/14/568847314.db2.gz XZGKOAMAOXXWND-UHFFFAOYSA-N 1 2 401.535 5.804 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000012540118 568847226 /nfs/dbraw/zinc/84/72/26/568847226.db2.gz RHLJVVMVCBUARK-UHFFFAOYSA-N 1 2 407.926 5.841 50 0 HKAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1SCc1cccs1 ZINC000012540153 568847171 /nfs/dbraw/zinc/84/71/71/568847171.db2.gz UVXVEXCYNBCHPT-UHFFFAOYSA-N 1 2 407.564 5.129 50 0 HKAALO Cc1ccsc1C[N@H+](C)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S ZINC000012544041 568849313 /nfs/dbraw/zinc/84/93/13/568849313.db2.gz JCIGODJVELQJTE-UHFFFAOYSA-N 1 2 421.595 5.233 50 0 HKAALO Cc1ccsc1C[N@@H+](C)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S ZINC000012544041 568849315 /nfs/dbraw/zinc/84/93/15/568849315.db2.gz JCIGODJVELQJTE-UHFFFAOYSA-N 1 2 421.595 5.233 50 0 HKAALO CCc1cccc(CC)c1NC(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000012544561 568849884 /nfs/dbraw/zinc/84/98/84/568849884.db2.gz OTMPLYSRSOSPOK-UHFFFAOYSA-N 1 2 413.521 5.599 50 0 HKAALO CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)cc1 ZINC000012547510 568851448 /nfs/dbraw/zinc/85/14/48/568851448.db2.gz WIMACSYHYGKRPM-UHFFFAOYSA-N 1 2 400.507 5.345 50 0 HKAALO CCCOc1ccccc1NC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000012547599 568850820 /nfs/dbraw/zinc/85/08/20/568850820.db2.gz MUTGOIHLBLXTKG-UHFFFAOYSA-N 1 2 415.493 5.263 50 0 HKAALO Cc1c(-c2ccccc2)sc2ncnc(N[C@H](c3[nH+]ccn3C)c3ccccc3)c12 ZINC000012547619 568850937 /nfs/dbraw/zinc/85/09/37/568850937.db2.gz GIOSQFUDQWAJQQ-FQEVSTJZSA-N 1 2 411.534 5.602 50 0 HKAALO Cc1c(-c2ccccc2)sc2ncnc(N[C@@H](c3[nH+]ccn3C)c3ccccc3)c12 ZINC000012547620 568851125 /nfs/dbraw/zinc/85/11/25/568851125.db2.gz GIOSQFUDQWAJQQ-HXUWFJFHSA-N 1 2 411.534 5.602 50 0 HKAALO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000012548090 568851331 /nfs/dbraw/zinc/85/13/31/568851331.db2.gz OCVWWAIQWUGJDS-HNNXBMFYSA-N 1 2 413.468 5.096 50 0 HKAALO COc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000012548091 568851311 /nfs/dbraw/zinc/85/13/11/568851311.db2.gz OCVWWAIQWUGJDS-OAHLLOKOSA-N 1 2 413.468 5.096 50 0 HKAALO Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2-c1ccccc1 ZINC000012548299 568851363 /nfs/dbraw/zinc/85/13/63/568851363.db2.gz CHKRZSGMCDDKCN-UHFFFAOYSA-N 1 2 421.932 5.401 50 0 HKAALO CCOc1ccc2nc(SCc3cn4cc(Br)ccc4[nH+]3)sc2c1 ZINC000012555259 568855234 /nfs/dbraw/zinc/85/52/34/568855234.db2.gz GHBOLBYEQQRRLG-UHFFFAOYSA-N 1 2 420.357 5.398 50 0 HKAALO CCCOc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000012556571 568855815 /nfs/dbraw/zinc/85/58/15/568855815.db2.gz DEYRIIRAXLEUMC-UHFFFAOYSA-N 1 2 415.493 5.263 50 0 HKAALO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000012558934 568856934 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50 0 HKAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012853385 569010782 /nfs/dbraw/zinc/01/07/82/569010782.db2.gz KANMNUWRMRGZCX-NRFANRHFSA-N 1 2 408.571 5.120 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012853389 569010799 /nfs/dbraw/zinc/01/07/99/569010799.db2.gz KANMNUWRMRGZCX-OAQYLSRUSA-N 1 2 408.571 5.120 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012853389 569010800 /nfs/dbraw/zinc/01/08/00/569010800.db2.gz KANMNUWRMRGZCX-OAQYLSRUSA-N 1 2 408.571 5.120 50 0 HKAALO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c(C)c1 ZINC000012866309 569012212 /nfs/dbraw/zinc/01/22/12/569012212.db2.gz JRMZKLXWVZCMEY-UHFFFAOYSA-N 1 2 407.514 5.040 50 0 HKAALO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c(C)c1 ZINC000012866309 569012213 /nfs/dbraw/zinc/01/22/13/569012213.db2.gz JRMZKLXWVZCMEY-UHFFFAOYSA-N 1 2 407.514 5.040 50 0 HKAALO CSc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012887664 569019658 /nfs/dbraw/zinc/01/96/58/569019658.db2.gz NQXUUZZXYQFODL-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012887664 569019659 /nfs/dbraw/zinc/01/96/59/569019659.db2.gz NQXUUZZXYQFODL-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012887672 569019676 /nfs/dbraw/zinc/01/96/76/569019676.db2.gz NQXUUZZXYQFODL-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012887672 569019677 /nfs/dbraw/zinc/01/96/77/569019677.db2.gz NQXUUZZXYQFODL-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nc(-c3ccccc3)n[nH]2)n1 ZINC000012895598 569020244 /nfs/dbraw/zinc/02/02/44/569020244.db2.gz CDNRJIDSVYNBQI-UHFFFAOYSA-N 1 2 424.599 5.086 50 0 HKAALO CCc1sc(-c2nnc(C[NH2+][C@H](c3cccs3)c3ccc(C)cc3)o2)cc1C ZINC000012905770 569021178 /nfs/dbraw/zinc/02/11/78/569021178.db2.gz RYGZRBZTPFGPDE-NRFANRHFSA-N 1 2 409.580 5.918 50 0 HKAALO CCc1sc(-c2nnc(C[NH2+][C@@H](c3cccs3)c3ccc(C)cc3)o2)cc1C ZINC000012905774 569021194 /nfs/dbraw/zinc/02/11/94/569021194.db2.gz RYGZRBZTPFGPDE-OAQYLSRUSA-N 1 2 409.580 5.918 50 0 HKAALO Clc1ccccc1-c1nnc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000012908797 569021610 /nfs/dbraw/zinc/02/16/10/569021610.db2.gz FKXNWWGNICHJCJ-QGZVFWFLSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccccc1-c1nnc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000012908797 569021611 /nfs/dbraw/zinc/02/16/11/569021611.db2.gz FKXNWWGNICHJCJ-QGZVFWFLSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccccc1-c1nnc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)o1 ZINC000012908802 569021613 /nfs/dbraw/zinc/02/16/13/569021613.db2.gz FKXNWWGNICHJCJ-KRWDZBQOSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccccc1-c1nnc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)o1 ZINC000012908802 569021614 /nfs/dbraw/zinc/02/16/14/569021614.db2.gz FKXNWWGNICHJCJ-KRWDZBQOSA-N 1 2 410.930 5.727 50 0 HKAALO CC[N@H+](Cc1ccc(Br)s1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012911118 558484402 /nfs/dbraw/zinc/48/44/02/558484402.db2.gz HADHNBRNOHAFSX-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO CC[N@@H+](Cc1ccc(Br)s1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012911118 558484404 /nfs/dbraw/zinc/48/44/04/558484404.db2.gz HADHNBRNOHAFSX-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO CCc1sc(-c2nnc(C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)o2)cc1C ZINC000012913479 569022025 /nfs/dbraw/zinc/02/20/25/569022025.db2.gz OONLKCUDHVSKQJ-FQEVSTJZSA-N 1 2 413.543 5.749 50 0 HKAALO CCc1sc(-c2nnc(C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)o2)cc1C ZINC000012913484 569022009 /nfs/dbraw/zinc/02/20/09/569022009.db2.gz OONLKCUDHVSKQJ-HXUWFJFHSA-N 1 2 413.543 5.749 50 0 HKAALO CC(C)c1noc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000012921608 569023046 /nfs/dbraw/zinc/02/30/46/569023046.db2.gz QHCTXZNZVBPMPR-UHFFFAOYSA-N 1 2 421.932 5.331 50 0 HKAALO CC(C)c1noc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000012921608 569023047 /nfs/dbraw/zinc/02/30/47/569023047.db2.gz QHCTXZNZVBPMPR-UHFFFAOYSA-N 1 2 421.932 5.331 50 0 HKAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000012928171 569024038 /nfs/dbraw/zinc/02/40/38/569024038.db2.gz GFJVKHAAQBKDQZ-NRFANRHFSA-N 1 2 400.906 5.127 50 0 HKAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000012928171 569024039 /nfs/dbraw/zinc/02/40/39/569024039.db2.gz GFJVKHAAQBKDQZ-NRFANRHFSA-N 1 2 400.906 5.127 50 0 HKAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000012928176 569024053 /nfs/dbraw/zinc/02/40/53/569024053.db2.gz GFJVKHAAQBKDQZ-OAQYLSRUSA-N 1 2 400.906 5.127 50 0 HKAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F ZINC000012928176 569024054 /nfs/dbraw/zinc/02/40/54/569024054.db2.gz GFJVKHAAQBKDQZ-OAQYLSRUSA-N 1 2 400.906 5.127 50 0 HKAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928348 569024242 /nfs/dbraw/zinc/02/42/42/569024242.db2.gz ULOKERHLXVBTFX-SFHVURJKSA-N 1 2 407.341 5.476 50 0 HKAALO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928348 569024243 /nfs/dbraw/zinc/02/42/43/569024243.db2.gz ULOKERHLXVBTFX-SFHVURJKSA-N 1 2 407.341 5.476 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928355 569024282 /nfs/dbraw/zinc/02/42/82/569024282.db2.gz ULOKERHLXVBTFX-GOSISDBHSA-N 1 2 407.341 5.476 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000012928355 569024283 /nfs/dbraw/zinc/02/42/83/569024283.db2.gz ULOKERHLXVBTFX-GOSISDBHSA-N 1 2 407.341 5.476 50 0 HKAALO COc1ccc(Cl)cc1-c1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 ZINC000012929410 569024376 /nfs/dbraw/zinc/02/43/76/569024376.db2.gz ZQTQODROHHAFFF-QGZVFWFLSA-N 1 2 400.935 5.064 50 0 HKAALO COc1ccc(Cl)cc1-c1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 ZINC000012929410 569024377 /nfs/dbraw/zinc/02/43/77/569024377.db2.gz ZQTQODROHHAFFF-QGZVFWFLSA-N 1 2 400.935 5.064 50 0 HKAALO COc1ccc(Cl)cc1-c1nn(C[N@@H+]2CCC[C@H]2c2ccccc2)c(=S)[nH]1 ZINC000012929416 569024367 /nfs/dbraw/zinc/02/43/67/569024367.db2.gz ZQTQODROHHAFFF-KRWDZBQOSA-N 1 2 400.935 5.064 50 0 HKAALO COc1ccc(Cl)cc1-c1nn(C[N@H+]2CCC[C@H]2c2ccccc2)c(=S)[nH]1 ZINC000012929416 569024368 /nfs/dbraw/zinc/02/43/68/569024368.db2.gz ZQTQODROHHAFFF-KRWDZBQOSA-N 1 2 400.935 5.064 50 0 HKAALO COc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2C(C)C)cc1 ZINC000012935785 569026868 /nfs/dbraw/zinc/02/68/68/569026868.db2.gz XQMISDZFAMAGDC-OAQYLSRUSA-N 1 2 408.571 5.465 50 0 HKAALO COc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2C(C)C)cc1 ZINC000012935785 569026869 /nfs/dbraw/zinc/02/68/69/569026869.db2.gz XQMISDZFAMAGDC-OAQYLSRUSA-N 1 2 408.571 5.465 50 0 HKAALO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3c3ccccc3)c(=S)n2C(C)C)cc1 ZINC000012935791 569026833 /nfs/dbraw/zinc/02/68/33/569026833.db2.gz XQMISDZFAMAGDC-NRFANRHFSA-N 1 2 408.571 5.465 50 0 HKAALO COc1ccc(-c2nn(C[N@H+]3CCC[C@H]3c3ccccc3)c(=S)n2C(C)C)cc1 ZINC000012935791 569026834 /nfs/dbraw/zinc/02/68/34/569026834.db2.gz XQMISDZFAMAGDC-NRFANRHFSA-N 1 2 408.571 5.465 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012936900 569027310 /nfs/dbraw/zinc/02/73/10/569027310.db2.gz GSMZUAWSRWYPJM-VWLOTQADSA-N 1 2 404.579 5.766 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012936900 569027311 /nfs/dbraw/zinc/02/73/11/569027311.db2.gz GSMZUAWSRWYPJM-VWLOTQADSA-N 1 2 404.579 5.766 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012936907 569027352 /nfs/dbraw/zinc/02/73/52/569027352.db2.gz GSMZUAWSRWYPJM-RUZDIDTESA-N 1 2 404.579 5.766 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012936907 569027353 /nfs/dbraw/zinc/02/73/53/569027353.db2.gz GSMZUAWSRWYPJM-RUZDIDTESA-N 1 2 404.579 5.766 50 0 HKAALO CCCOc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012938257 558486896 /nfs/dbraw/zinc/48/68/96/558486896.db2.gz ZBKXJXBFQJEAPD-DEOSSOPVSA-N 1 2 406.551 5.123 50 0 HKAALO CCCOc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012938257 558486898 /nfs/dbraw/zinc/48/68/98/558486898.db2.gz ZBKXJXBFQJEAPD-DEOSSOPVSA-N 1 2 406.551 5.123 50 0 HKAALO CCCOc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012938264 558486874 /nfs/dbraw/zinc/48/68/74/558486874.db2.gz ZBKXJXBFQJEAPD-XMMPIXPASA-N 1 2 406.551 5.123 50 0 HKAALO CCCOc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012938264 558486876 /nfs/dbraw/zinc/48/68/76/558486876.db2.gz ZBKXJXBFQJEAPD-XMMPIXPASA-N 1 2 406.551 5.123 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@@H]3c3cccn3C)cs2)cc1 ZINC000012943049 569028790 /nfs/dbraw/zinc/02/87/90/569028790.db2.gz ABEHGBWNABLXFP-JOCHJYFZSA-N 1 2 408.571 5.066 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@@H]3c3cccn3C)cs2)cc1 ZINC000012943049 569028791 /nfs/dbraw/zinc/02/87/91/569028791.db2.gz ABEHGBWNABLXFP-JOCHJYFZSA-N 1 2 408.571 5.066 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CCC[C@H]3c3cccn3C)cs2)cc1 ZINC000012943054 569028746 /nfs/dbraw/zinc/02/87/46/569028746.db2.gz ABEHGBWNABLXFP-QFIPXVFZSA-N 1 2 408.571 5.066 50 0 HKAALO CCc1ccc(N(C(C)=O)c2nc(C[N@H+]3CCC[C@H]3c3cccn3C)cs2)cc1 ZINC000012943054 569028747 /nfs/dbraw/zinc/02/87/47/569028747.db2.gz ABEHGBWNABLXFP-QFIPXVFZSA-N 1 2 408.571 5.066 50 0 HKAALO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(Sc3ccc(Br)cc3)c12 ZINC000012953685 569405232 /nfs/dbraw/zinc/40/52/32/569405232.db2.gz WWSRZCNZTVIULJ-UHFFFAOYSA-N 1 2 424.367 6.010 50 0 HKAALO CSc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000012976097 558491635 /nfs/dbraw/zinc/49/16/35/558491635.db2.gz NMOIZZGXJGJPOF-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000012976097 558491638 /nfs/dbraw/zinc/49/16/38/558491638.db2.gz NMOIZZGXJGJPOF-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000012976099 558491622 /nfs/dbraw/zinc/49/16/22/558491622.db2.gz NMOIZZGXJGJPOF-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000012976099 558491625 /nfs/dbraw/zinc/49/16/25/558491625.db2.gz NMOIZZGXJGJPOF-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(Cl)c1 ZINC000012988433 569047488 /nfs/dbraw/zinc/04/74/88/569047488.db2.gz IPJZWRQSEAUPKD-QHCPKHFHSA-N 1 2 410.970 5.605 50 0 HKAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(Cl)c1 ZINC000012988433 569047489 /nfs/dbraw/zinc/04/74/89/569047489.db2.gz IPJZWRQSEAUPKD-QHCPKHFHSA-N 1 2 410.970 5.605 50 0 HKAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c(Cl)c1 ZINC000012988436 569047518 /nfs/dbraw/zinc/04/75/18/569047518.db2.gz IPJZWRQSEAUPKD-HSZRJFAPSA-N 1 2 410.970 5.605 50 0 HKAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c(Cl)c1 ZINC000012988436 569047519 /nfs/dbraw/zinc/04/75/19/569047519.db2.gz IPJZWRQSEAUPKD-HSZRJFAPSA-N 1 2 410.970 5.605 50 0 HKAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012993422 558497398 /nfs/dbraw/zinc/49/73/98/558497398.db2.gz ZIUWHKQYVUEBJG-NRFANRHFSA-N 1 2 408.571 5.120 50 0 HKAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012993422 558497402 /nfs/dbraw/zinc/49/74/02/558497402.db2.gz ZIUWHKQYVUEBJG-NRFANRHFSA-N 1 2 408.571 5.120 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012993423 558497455 /nfs/dbraw/zinc/49/74/55/558497455.db2.gz ZIUWHKQYVUEBJG-OAQYLSRUSA-N 1 2 408.571 5.120 50 0 HKAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012993423 558497460 /nfs/dbraw/zinc/49/74/60/558497460.db2.gz ZIUWHKQYVUEBJG-OAQYLSRUSA-N 1 2 408.571 5.120 50 0 HKAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995013 569406142 /nfs/dbraw/zinc/40/61/42/569406142.db2.gz JKSPXAQUTHYZPM-IBGZPJMESA-N 1 2 407.341 5.558 50 0 HKAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995013 569406143 /nfs/dbraw/zinc/40/61/43/569406143.db2.gz JKSPXAQUTHYZPM-IBGZPJMESA-N 1 2 407.341 5.558 50 0 HKAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995015 569406215 /nfs/dbraw/zinc/40/62/15/569406215.db2.gz JKSPXAQUTHYZPM-LJQANCHMSA-N 1 2 407.341 5.558 50 0 HKAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995015 569406216 /nfs/dbraw/zinc/40/62/16/569406216.db2.gz JKSPXAQUTHYZPM-LJQANCHMSA-N 1 2 407.341 5.558 50 0 HKAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002082 558500920 /nfs/dbraw/zinc/50/09/20/558500920.db2.gz FJXRYBZFXRTYDF-FQEVSTJZSA-N 1 2 417.347 5.014 50 0 HKAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002082 558500922 /nfs/dbraw/zinc/50/09/22/558500922.db2.gz FJXRYBZFXRTYDF-FQEVSTJZSA-N 1 2 417.347 5.014 50 0 HKAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002084 558500912 /nfs/dbraw/zinc/50/09/12/558500912.db2.gz FJXRYBZFXRTYDF-HXUWFJFHSA-N 1 2 417.347 5.014 50 0 HKAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002084 558500914 /nfs/dbraw/zinc/50/09/14/558500914.db2.gz FJXRYBZFXRTYDF-HXUWFJFHSA-N 1 2 417.347 5.014 50 0 HKAALO CCn1c2ccccc2c(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000013038849 558505942 /nfs/dbraw/zinc/50/59/42/558505942.db2.gz FUARBPXITBEDSX-UHFFFAOYSA-N 1 2 423.560 5.333 50 0 HKAALO C[NH+](C)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1c(F)cccc1Cl ZINC000013040024 558506572 /nfs/dbraw/zinc/50/65/72/558506572.db2.gz OKWZNQZHBWIXPX-HNNXBMFYSA-N 1 2 404.942 5.077 50 0 HKAALO C[NH+](C)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1c(F)cccc1Cl ZINC000013040025 558506561 /nfs/dbraw/zinc/50/65/61/558506561.db2.gz OKWZNQZHBWIXPX-OAHLLOKOSA-N 1 2 404.942 5.077 50 0 HKAALO Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000013040123 558506527 /nfs/dbraw/zinc/50/65/27/558506527.db2.gz ZXJRTGMPBBHFPT-UHFFFAOYSA-N 1 2 421.994 5.135 50 0 HKAALO CCc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000013040288 569407892 /nfs/dbraw/zinc/40/78/92/569407892.db2.gz LAUITICOEQIMLK-UHFFFAOYSA-N 1 2 420.940 5.204 50 0 HKAALO CCc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000013040288 569407893 /nfs/dbraw/zinc/40/78/93/569407893.db2.gz LAUITICOEQIMLK-UHFFFAOYSA-N 1 2 420.940 5.204 50 0 HKAALO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056024 569408119 /nfs/dbraw/zinc/40/81/19/569408119.db2.gz XCVMRYOOGVXPAH-LLVKDONJSA-N 1 2 420.167 5.609 50 0 HKAALO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056024 569408121 /nfs/dbraw/zinc/40/81/21/569408121.db2.gz XCVMRYOOGVXPAH-LLVKDONJSA-N 1 2 420.167 5.609 50 0 HKAALO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056026 569408059 /nfs/dbraw/zinc/40/80/59/569408059.db2.gz XCVMRYOOGVXPAH-NSHDSACASA-N 1 2 420.167 5.609 50 0 HKAALO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056026 569408060 /nfs/dbraw/zinc/40/80/60/569408060.db2.gz XCVMRYOOGVXPAH-NSHDSACASA-N 1 2 420.167 5.609 50 0 HKAALO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056408 569408089 /nfs/dbraw/zinc/40/80/89/569408089.db2.gz IYWQESJQGBVGRY-CYBMUJFWSA-N 1 2 420.365 5.421 50 0 HKAALO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056408 569408090 /nfs/dbraw/zinc/40/80/90/569408090.db2.gz IYWQESJQGBVGRY-CYBMUJFWSA-N 1 2 420.365 5.421 50 0 HKAALO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056410 569408143 /nfs/dbraw/zinc/40/81/43/569408143.db2.gz IYWQESJQGBVGRY-ZDUSSCGKSA-N 1 2 420.365 5.421 50 0 HKAALO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056410 569408144 /nfs/dbraw/zinc/40/81/44/569408144.db2.gz IYWQESJQGBVGRY-ZDUSSCGKSA-N 1 2 420.365 5.421 50 0 HKAALO C[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013057465 558508828 /nfs/dbraw/zinc/50/88/28/558508828.db2.gz PBLZGHCBTIQEGV-LJQANCHMSA-N 1 2 405.542 5.206 50 0 HKAALO C[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013057468 558508911 /nfs/dbraw/zinc/50/89/11/558508911.db2.gz PBLZGHCBTIQEGV-IBGZPJMESA-N 1 2 405.542 5.206 50 0 HKAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000013058368 569408191 /nfs/dbraw/zinc/40/81/91/569408191.db2.gz VUJHDESLJKSLIY-JOCHJYFZSA-N 1 2 413.348 6.114 50 0 HKAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000013058368 569408193 /nfs/dbraw/zinc/40/81/93/569408193.db2.gz VUJHDESLJKSLIY-JOCHJYFZSA-N 1 2 413.348 6.114 50 0 HKAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000013058370 569408249 /nfs/dbraw/zinc/40/82/49/569408249.db2.gz VUJHDESLJKSLIY-QFIPXVFZSA-N 1 2 413.348 6.114 50 0 HKAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000013058370 569408250 /nfs/dbraw/zinc/40/82/50/569408250.db2.gz VUJHDESLJKSLIY-QFIPXVFZSA-N 1 2 413.348 6.114 50 0 HKAALO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000013062834 558510128 /nfs/dbraw/zinc/51/01/28/558510128.db2.gz USRIJDPWBJQLHE-QHCPKHFHSA-N 1 2 408.929 5.551 50 0 HKAALO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000013062834 558510130 /nfs/dbraw/zinc/51/01/30/558510130.db2.gz USRIJDPWBJQLHE-QHCPKHFHSA-N 1 2 408.929 5.551 50 0 HKAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000013062835 558510159 /nfs/dbraw/zinc/51/01/59/558510159.db2.gz USRIJDPWBJQLHE-HSZRJFAPSA-N 1 2 408.929 5.551 50 0 HKAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000013062835 558510161 /nfs/dbraw/zinc/51/01/61/558510161.db2.gz USRIJDPWBJQLHE-HSZRJFAPSA-N 1 2 408.929 5.551 50 0 HKAALO Cc1ccccc1-n1c(=S)n(C[N@H+]2CCC[C@@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC000013063526 569408521 /nfs/dbraw/zinc/40/85/21/569408521.db2.gz FEYMZCUALZSZNG-MRXNPFEDSA-N 1 2 412.990 5.722 50 0 HKAALO Cc1ccccc1-n1c(=S)n(C[N@@H+]2CCC[C@@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC000013063526 569408522 /nfs/dbraw/zinc/40/85/22/569408522.db2.gz FEYMZCUALZSZNG-MRXNPFEDSA-N 1 2 412.990 5.722 50 0 HKAALO Cc1ccccc1-n1c(=S)n(C[N@H+]2CCC[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC000013063527 569408451 /nfs/dbraw/zinc/40/84/51/569408451.db2.gz FEYMZCUALZSZNG-INIZCTEOSA-N 1 2 412.990 5.722 50 0 HKAALO Cc1ccccc1-n1c(=S)n(C[N@@H+]2CCC[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC000013063527 569408452 /nfs/dbraw/zinc/40/84/52/569408452.db2.gz FEYMZCUALZSZNG-INIZCTEOSA-N 1 2 412.990 5.722 50 0 HKAALO CC1CC[NH+](Cn2nc(Cc3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000013070586 558511446 /nfs/dbraw/zinc/51/14/46/558511446.db2.gz ZUJGIHKACMPWSR-UHFFFAOYSA-N 1 2 412.990 5.337 50 0 HKAALO CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(C[N@H+](C)Cc2ccccc2)c1=S ZINC000013070700 558511399 /nfs/dbraw/zinc/51/13/99/558511399.db2.gz IWKIVBMHZFBJJG-UHFFFAOYSA-N 1 2 421.397 6.058 50 0 HKAALO CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(C[N@@H+](C)Cc2ccccc2)c1=S ZINC000013070700 558511402 /nfs/dbraw/zinc/51/14/02/558511402.db2.gz IWKIVBMHZFBJJG-UHFFFAOYSA-N 1 2 421.397 6.058 50 0 HKAALO CCn1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000013070702 569408567 /nfs/dbraw/zinc/40/85/67/569408567.db2.gz UGDQDSFEEQGGJF-UHFFFAOYSA-N 1 2 407.370 5.497 50 0 HKAALO CCn1c(=S)n(C[N@@H+](C)Cc2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000013070702 569408568 /nfs/dbraw/zinc/40/85/68/569408568.db2.gz UGDQDSFEEQGGJF-UHFFFAOYSA-N 1 2 407.370 5.497 50 0 HKAALO CCCn1c(=S)n(C[N@H+](C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072635 569408683 /nfs/dbraw/zinc/40/86/83/569408683.db2.gz PAQWOKSVOOUNRA-UHFFFAOYSA-N 1 2 416.978 5.243 50 0 HKAALO CCCn1c(=S)n(C[N@@H+](C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072635 569408684 /nfs/dbraw/zinc/40/86/84/569408684.db2.gz PAQWOKSVOOUNRA-UHFFFAOYSA-N 1 2 416.978 5.243 50 0 HKAALO Cc1ccccc1-n1c(=S)n(C[NH+]2CCC(C)CC2)nc1-c1ccc(Cl)cc1 ZINC000013072659 569408676 /nfs/dbraw/zinc/40/86/76/569408676.db2.gz YCVKLQNWAARYGG-UHFFFAOYSA-N 1 2 412.990 5.722 50 0 HKAALO Cc1c(Cl)cccc1-n1c(=S)n(C[NH+]2CCC(C)CC2)nc1-c1ccncc1 ZINC000013072872 558511856 /nfs/dbraw/zinc/51/18/56/558511856.db2.gz JXTGCYCTUPNOTL-UHFFFAOYSA-N 1 2 413.978 5.117 50 0 HKAALO Cc1ccc(-c2nn(C[NH+]3CCCCCC3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000013074060 569408679 /nfs/dbraw/zinc/40/86/79/569408679.db2.gz PXIKFTNTBONIFT-UHFFFAOYSA-N 1 2 420.626 6.336 50 0 HKAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013074146 569408706 /nfs/dbraw/zinc/40/87/06/569408706.db2.gz DPOUTJNLLGDFCU-UHFFFAOYSA-N 1 2 420.969 5.813 50 0 HKAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013074146 569408708 /nfs/dbraw/zinc/40/87/08/569408708.db2.gz DPOUTJNLLGDFCU-UHFFFAOYSA-N 1 2 420.969 5.813 50 0 HKAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S ZINC000013074148 558512051 /nfs/dbraw/zinc/51/20/51/558512051.db2.gz OSQMPBPDVIUVAM-UHFFFAOYSA-N 1 2 412.990 5.939 50 0 HKAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S ZINC000013074148 558512053 /nfs/dbraw/zinc/51/20/53/558512053.db2.gz OSQMPBPDVIUVAM-UHFFFAOYSA-N 1 2 412.990 5.939 50 0 HKAALO O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000013095603 569408864 /nfs/dbraw/zinc/40/88/64/569408864.db2.gz PWJLZXMAIFWEIF-UHFFFAOYSA-N 1 2 420.365 5.800 50 0 HKAALO Clc1ccc2[nH+]c(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cn2c1 ZINC000013095928 569408827 /nfs/dbraw/zinc/40/88/27/569408827.db2.gz FWZWFOCGBXGITN-UHFFFAOYSA-N 1 2 417.921 6.602 50 0 HKAALO Cc1c(Cl)cccc1-n1c(=S)n(C[N@H+]2CCC[C@@H](C)C2)nc1-c1ccncc1 ZINC000013097637 558513618 /nfs/dbraw/zinc/51/36/18/558513618.db2.gz KJXGDTZRDLTGEP-OAHLLOKOSA-N 1 2 413.978 5.117 50 0 HKAALO Cc1c(Cl)cccc1-n1c(=S)n(C[N@@H+]2CCC[C@@H](C)C2)nc1-c1ccncc1 ZINC000013097637 558513620 /nfs/dbraw/zinc/51/36/20/558513620.db2.gz KJXGDTZRDLTGEP-OAHLLOKOSA-N 1 2 413.978 5.117 50 0 HKAALO Cc1c(Cl)cccc1-n1c(=S)n(C[N@H+]2CCC[C@H](C)C2)nc1-c1ccncc1 ZINC000013097638 558513588 /nfs/dbraw/zinc/51/35/88/558513588.db2.gz KJXGDTZRDLTGEP-HNNXBMFYSA-N 1 2 413.978 5.117 50 0 HKAALO Cc1c(Cl)cccc1-n1c(=S)n(C[N@@H+]2CCC[C@H](C)C2)nc1-c1ccncc1 ZINC000013097638 558513591 /nfs/dbraw/zinc/51/35/91/558513591.db2.gz KJXGDTZRDLTGEP-HNNXBMFYSA-N 1 2 413.978 5.117 50 0 HKAALO COCc1c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)sc2cccc(F)c21 ZINC000013098503 569409069 /nfs/dbraw/zinc/40/90/69/569409069.db2.gz IRRFEVQMDQDOQL-UHFFFAOYSA-N 1 2 423.513 5.515 50 0 HKAALO Fc1ccc(-c2nc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)cs2)cc1 ZINC000013128465 558519617 /nfs/dbraw/zinc/51/96/17/558519617.db2.gz IVRCYILIHQKQAS-UHFFFAOYSA-N 1 2 419.510 5.370 50 0 HKAALO Clc1ccccc1CNc1cc(-c2ccccc2)c2cc3c(cc2[nH+]1)OCCO3 ZINC000013129736 558519822 /nfs/dbraw/zinc/51/98/22/558519822.db2.gz JZBLGAUHKHIWNZ-UHFFFAOYSA-N 1 2 402.881 5.939 50 0 HKAALO CC(C)(C)c1cc(NCCCn2cc[nH+]c2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000013135622 558520945 /nfs/dbraw/zinc/52/09/45/558520945.db2.gz CDGMJSSKRJFZOY-UHFFFAOYSA-N 1 2 408.937 5.046 50 0 aggregator HKAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164320 558524871 /nfs/dbraw/zinc/52/48/71/558524871.db2.gz SZFCEKCSMKSNRQ-IQMFZBJNSA-N 1 2 422.575 5.381 50 0 HKAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164320 558524875 /nfs/dbraw/zinc/52/48/75/558524875.db2.gz SZFCEKCSMKSNRQ-IQMFZBJNSA-N 1 2 422.575 5.381 50 0 HKAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164321 524960400 /nfs/dbraw/zinc/96/04/00/524960400.db2.gz SZFCEKCSMKSNRQ-NPMXOYFQSA-N 1 2 422.575 5.381 50 0 HKAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164321 524960411 /nfs/dbraw/zinc/96/04/11/524960411.db2.gz SZFCEKCSMKSNRQ-NPMXOYFQSA-N 1 2 422.575 5.381 50 0 HKAALO CCn1c(CCc2cccc(NC(=O)Nc3ccccc3OC)c2)[nH+]c2ccccc21 ZINC000013347647 569410909 /nfs/dbraw/zinc/41/09/09/569410909.db2.gz GCRSBPHHSQGUPY-UHFFFAOYSA-N 1 2 414.509 5.494 50 0 HKAALO CCn1c(CCc2cccc(NC(=O)Nc3cccc(OC)c3)c2)[nH+]c2ccccc21 ZINC000013347651 569410843 /nfs/dbraw/zinc/41/08/43/569410843.db2.gz JLCBSHDBWJNAOU-UHFFFAOYSA-N 1 2 414.509 5.494 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000013347690 569410796 /nfs/dbraw/zinc/41/07/96/569410796.db2.gz JARUCMKSTMCNPK-UHFFFAOYSA-N 1 2 402.473 5.625 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000013347694 569410906 /nfs/dbraw/zinc/41/09/06/569410906.db2.gz FXRBUMZJCOMMAD-UHFFFAOYSA-N 1 2 416.500 5.933 50 0 HKAALO 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CCn1c(CCc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)[nH+]c2ccccc21 ZINC000013348261 569410805 /nfs/dbraw/zinc/41/08/05/569410805.db2.gz USQNQNBLFOCFDO-UHFFFAOYSA-N 1 2 412.537 6.102 50 0 HKAALO CCn1c(CCc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)[nH+]c2ccccc21 ZINC000013348299 569410915 /nfs/dbraw/zinc/41/09/15/569410915.db2.gz JPWBVAPDWAQFGB-UHFFFAOYSA-N 1 2 412.537 6.102 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000013348307 569410808 /nfs/dbraw/zinc/41/08/08/569410808.db2.gz KWNBMNOVFXWBPO-UHFFFAOYSA-N 1 2 402.473 5.625 50 0 HKAALO CCn1c(CCc2ccc(NC(=O)NCc3ccc(C)cc3)cc2)[nH+]c2ccccc21 ZINC000013348331 569411055 /nfs/dbraw/zinc/41/10/55/569411055.db2.gz WDWGNCASYWCVEN-UHFFFAOYSA-N 1 2 412.537 5.472 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000013348334 569411018 /nfs/dbraw/zinc/41/10/18/569411018.db2.gz FIEMDEZNYAGQQO-UHFFFAOYSA-N 1 2 402.473 5.625 50 0 HKAALO CCn1c(CCc2ccc(NC(=O)NCCc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000013348348 569410998 /nfs/dbraw/zinc/41/09/98/569410998.db2.gz PXQJMJAIFXTKLW-UHFFFAOYSA-N 1 2 412.537 5.206 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 ZINC000013348360 569411020 /nfs/dbraw/zinc/41/10/20/569411020.db2.gz VKBPDIBEKQYTHG-UHFFFAOYSA-N 1 2 416.500 5.302 50 0 HKAALO COc1ccccc1NC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000013348379 569410996 /nfs/dbraw/zinc/41/09/96/569410996.db2.gz YWHPRUJEFUIKQG-UHFFFAOYSA-N 1 2 400.482 5.011 50 0 HKAALO COc1cccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000013348383 569411104 /nfs/dbraw/zinc/41/11/04/569411104.db2.gz REJSJWYFIAQLTI-UHFFFAOYSA-N 1 2 400.482 5.011 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013348387 569410991 /nfs/dbraw/zinc/41/09/91/569410991.db2.gz CCGPKQXZPRBYGU-UHFFFAOYSA-N 1 2 404.901 5.656 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000013348391 569411047 /nfs/dbraw/zinc/41/10/47/569411047.db2.gz SKJNGGZUSYYLIN-UHFFFAOYSA-N 1 2 404.901 5.656 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013348400 569411077 /nfs/dbraw/zinc/41/10/77/569411077.db2.gz BWDYBOYUAZFNAZ-UHFFFAOYSA-N 1 2 404.901 5.656 50 0 HKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1Cl ZINC000013348408 569411108 /nfs/dbraw/zinc/41/11/08/569411108.db2.gz BVXHNZUSUMCBRD-UHFFFAOYSA-N 1 2 418.928 5.964 50 0 HKAALO COc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000013348430 569411120 /nfs/dbraw/zinc/41/11/20/569411120.db2.gz PDESUOSJEOERFN-UHFFFAOYSA-N 1 2 400.482 5.011 50 0 HKAALO CCOc1ccccc1NC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000013348438 569411023 /nfs/dbraw/zinc/41/10/23/569411023.db2.gz WTAZCIYDAQXXNT-UHFFFAOYSA-N 1 2 414.509 5.401 50 0 HKAALO CCOc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000013348449 569411124 /nfs/dbraw/zinc/41/11/24/569411124.db2.gz JAPVXWGZNPRDHR-UHFFFAOYSA-N 1 2 414.509 5.401 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000013348457 569411072 /nfs/dbraw/zinc/41/10/72/569411072.db2.gz XFIAXFIXZJAEPL-UHFFFAOYSA-N 1 2 418.928 5.964 50 0 HKAALO Cc1ccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1F ZINC000013348473 569411111 /nfs/dbraw/zinc/41/11/11/569411111.db2.gz LUMHVTRQDGLPOR-UHFFFAOYSA-N 1 2 402.473 5.450 50 0 HKAALO COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)cc1OC ZINC000013496562 558535099 /nfs/dbraw/zinc/53/50/99/558535099.db2.gz FZZBVWVETOTCTF-UHFFFAOYSA-N 1 2 407.901 5.367 50 0 HKAALO COc1ccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000013511670 558535668 /nfs/dbraw/zinc/53/56/68/558535668.db2.gz LPUBXMBXJSSDKE-UHFFFAOYSA-N 1 2 409.489 5.138 50 0 HKAALO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@@H](C)c3ccccc3)c2)[nH]1 ZINC000013524440 558536747 /nfs/dbraw/zinc/53/67/47/558536747.db2.gz VXPWQNBKEIVYIS-HNNXBMFYSA-N 1 2 404.514 6.173 50 0 in-vivo HKAALO O=C(O/C(=C/c1[nH+]ccn1Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000013633950 558553025 /nfs/dbraw/zinc/55/30/25/558553025.db2.gz ITBGEDNXLQGPLW-HAVVHWLPSA-N 1 2 414.892 5.940 50 0 HKAALO O[C@@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2[nH+]c1[C@@H]1CC=CCC1 ZINC000013659434 558559548 /nfs/dbraw/zinc/55/95/48/558559548.db2.gz IJQJATJKNDZGBS-RTWAWAEBSA-N 1 2 421.544 6.029 50 0 HKAALO CCc1ccc(-c2cn3c([nH+]c(-c4ccccc4)c3-c3ccccc3)n2CCCO)cc1 ZINC000013712132 558576408 /nfs/dbraw/zinc/57/64/08/558576408.db2.gz OZZYEJDCLIQOEH-UHFFFAOYSA-N 1 2 421.544 6.082 50 0 HKAALO CCCCn1c(-c2ccc(CC)cc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000013712472 558576809 /nfs/dbraw/zinc/57/68/09/558576809.db2.gz WBSPXWQQGNRUOP-UHFFFAOYSA-N 1 2 419.572 7.499 50 0 HKAALO O=C([C@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CC[NH+]=C1Cc1cccc2ccccc21 ZINC000013774231 558592056 /nfs/dbraw/zinc/59/20/56/558592056.db2.gz HLPFHHVQRDDGTI-ZEQRLZLVSA-N 1 2 416.952 5.860 50 0 HKAALO O=C([C@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CC[NH+]=C1Cc1cccc2ccccc21 ZINC000013774233 558592071 /nfs/dbraw/zinc/59/20/71/558592071.db2.gz HLPFHHVQRDDGTI-RPWUZVMVSA-N 1 2 416.952 5.860 50 0 HKAALO O=C([C@@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CC[NH+]=C1Cc1cccc2ccccc21 ZINC000013774235 558592342 /nfs/dbraw/zinc/59/23/42/558592342.db2.gz HLPFHHVQRDDGTI-BJKOFHAPSA-N 1 2 416.952 5.860 50 0 HKAALO O=C([C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CC[NH+]=C1Cc1cccc2ccccc21 ZINC000013774237 558592222 /nfs/dbraw/zinc/59/22/22/558592222.db2.gz HLPFHHVQRDDGTI-DNQXCXABSA-N 1 2 416.952 5.860 50 0 HKAALO CCCCn1c(-c2cccc(OC)c2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000013788441 558593801 /nfs/dbraw/zinc/59/38/01/558593801.db2.gz BGDRSTCFDDAUDA-UHFFFAOYSA-N 1 2 421.544 6.946 50 0 HKAALO CCOc1ccc/c(=[NH+]\C2CCCCC2)c2c(C)n(-c3ccc(OC)cc3)c(C)c21 ZINC000013799455 558594365 /nfs/dbraw/zinc/59/43/65/558594365.db2.gz ZDOYDLXGJJEPAU-SLEBQGDGSA-N 1 2 404.554 5.888 50 0 HKAALO O=C1[C@H](c2ccccc2)[C@H](c2cccs2)[NH2+][C@@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000013799788 558594501 /nfs/dbraw/zinc/59/45/01/558594501.db2.gz UCZYTGZNLXWZAW-KIHHCIJBSA-N 1 2 415.583 6.332 50 0 HKAALO CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000013810756 558595566 /nfs/dbraw/zinc/59/55/66/558595566.db2.gz CDZOLELNRWLXCS-UNMCSNQZSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000013810757 558595493 /nfs/dbraw/zinc/59/54/93/558595493.db2.gz CDZOLELNRWLXCS-RBBKRZOGSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000013810758 558595544 /nfs/dbraw/zinc/59/55/44/558595544.db2.gz CDZOLELNRWLXCS-IRLDBZIGSA-N 1 2 403.913 6.235 50 0 HKAALO CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2[nH+]c3ccccc3n21 ZINC000013810759 558595594 /nfs/dbraw/zinc/59/55/94/558595594.db2.gz CDZOLELNRWLXCS-IFMALSPDSA-N 1 2 403.913 6.235 50 0 HKAALO COCCn1c(-c2cccc(OC)c2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000013810851 558595572 /nfs/dbraw/zinc/59/55/72/558595572.db2.gz ZHEZDVACJNDHCO-UHFFFAOYSA-N 1 2 423.516 5.792 50 0 HKAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000013810917 558595759 /nfs/dbraw/zinc/59/57/59/558595759.db2.gz SFLSBDNJQBHHIL-UHFFFAOYSA-N 1 2 415.305 5.097 50 0 HKAALO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000014071304 558617679 /nfs/dbraw/zinc/61/76/79/558617679.db2.gz KWLUHYXJYFOPSH-UHFFFAOYSA-N 1 2 415.537 5.150 50 0 HKAALO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000014071304 558617683 /nfs/dbraw/zinc/61/76/83/558617683.db2.gz KWLUHYXJYFOPSH-UHFFFAOYSA-N 1 2 415.537 5.150 50 0 HKAALO C[C@@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125501 558623025 /nfs/dbraw/zinc/62/30/25/558623025.db2.gz UZGSCCYDBCQYLH-CRICUBBOSA-N 1 2 412.489 5.214 50 0 HKAALO C[C@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125504 558623115 /nfs/dbraw/zinc/62/31/15/558623115.db2.gz UZGSCCYDBCQYLH-SSOJOUAXSA-N 1 2 412.489 5.214 50 0 HKAALO C[C@@H]([NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125506 558623123 /nfs/dbraw/zinc/62/31/23/558623123.db2.gz UZGSCCYDBCQYLH-NSYGIPOTSA-N 1 2 412.489 5.214 50 0 HKAALO C[C@H]([NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125509 558623065 /nfs/dbraw/zinc/62/30/65/558623065.db2.gz UZGSCCYDBCQYLH-GKVSMKOHSA-N 1 2 412.489 5.214 50 0 HKAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000014187198 558631529 /nfs/dbraw/zinc/63/15/29/558631529.db2.gz HXAFXBGSLMOXMT-UHFFFAOYSA-N 1 2 407.587 5.198 50 0 HKAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000014187198 558631530 /nfs/dbraw/zinc/63/15/30/558631530.db2.gz HXAFXBGSLMOXMT-UHFFFAOYSA-N 1 2 407.587 5.198 50 0 HKAALO Cc1ccc(-c2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 ZINC000014196037 558633205 /nfs/dbraw/zinc/63/32/05/558633205.db2.gz GYNILUMKHJKSHK-UHFFFAOYSA-N 1 2 417.500 5.460 50 0 HKAALO CCn1c(-c2ccco2)nn(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197194 558633810 /nfs/dbraw/zinc/63/38/10/558633810.db2.gz XXLHQXDDCHXUAZ-NRFANRHFSA-N 1 2 422.529 5.512 50 0 HKAALO CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197194 558633812 /nfs/dbraw/zinc/63/38/12/558633812.db2.gz XXLHQXDDCHXUAZ-NRFANRHFSA-N 1 2 422.529 5.512 50 0 HKAALO CCn1c(-c2ccco2)nn(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197195 558633841 /nfs/dbraw/zinc/63/38/41/558633841.db2.gz XXLHQXDDCHXUAZ-OAQYLSRUSA-N 1 2 422.529 5.512 50 0 HKAALO CCn1c(-c2ccco2)nn(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197195 558633843 /nfs/dbraw/zinc/63/38/43/558633843.db2.gz XXLHQXDDCHXUAZ-OAQYLSRUSA-N 1 2 422.529 5.512 50 0 HKAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000014249284 558649332 /nfs/dbraw/zinc/64/93/32/558649332.db2.gz AUDPVFMAMVZEGH-UHFFFAOYSA-N 1 2 405.448 5.018 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000014254462 558651064 /nfs/dbraw/zinc/65/10/64/558651064.db2.gz OWLKMGWUSIQXRD-VWLOTQADSA-N 1 2 416.477 5.100 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000014254462 558651066 /nfs/dbraw/zinc/65/10/66/558651066.db2.gz OWLKMGWUSIQXRD-VWLOTQADSA-N 1 2 416.477 5.100 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000014254464 558650950 /nfs/dbraw/zinc/65/09/50/558650950.db2.gz OWLKMGWUSIQXRD-RUZDIDTESA-N 1 2 416.477 5.100 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000014254464 558650952 /nfs/dbraw/zinc/65/09/52/558650952.db2.gz OWLKMGWUSIQXRD-RUZDIDTESA-N 1 2 416.477 5.100 50 0 HKAALO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703313 558664312 /nfs/dbraw/zinc/66/43/12/558664312.db2.gz IHUVTSWHWVBBKE-CYBMUJFWSA-N 1 2 411.477 5.123 50 0 HKAALO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703313 558664316 /nfs/dbraw/zinc/66/43/16/558664316.db2.gz IHUVTSWHWVBBKE-CYBMUJFWSA-N 1 2 411.477 5.123 50 0 HKAALO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703314 558664266 /nfs/dbraw/zinc/66/42/66/558664266.db2.gz IHUVTSWHWVBBKE-ZDUSSCGKSA-N 1 2 411.477 5.123 50 0 HKAALO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703314 558664268 /nfs/dbraw/zinc/66/42/68/558664268.db2.gz IHUVTSWHWVBBKE-ZDUSSCGKSA-N 1 2 411.477 5.123 50 0 HKAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc(Br)ccc1Cl ZINC000014910431 558679067 /nfs/dbraw/zinc/67/90/67/558679067.db2.gz QBDHORDQLLQAAG-UHFFFAOYSA-N 1 2 418.722 5.431 50 0 HKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@@H]2c2nccs2)o1 ZINC000014954085 558681643 /nfs/dbraw/zinc/68/16/43/558681643.db2.gz VIUSMWIMCZURBF-LJQANCHMSA-N 1 2 408.502 5.373 50 0 HKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+]2CCC[C@@H]2c2nccs2)o1 ZINC000014954085 558681645 /nfs/dbraw/zinc/68/16/45/558681645.db2.gz VIUSMWIMCZURBF-LJQANCHMSA-N 1 2 408.502 5.373 50 0 HKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@H]2c2nccs2)o1 ZINC000014954089 558681701 /nfs/dbraw/zinc/68/17/01/558681701.db2.gz VIUSMWIMCZURBF-IBGZPJMESA-N 1 2 408.502 5.373 50 0 HKAALO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+]2CCC[C@H]2c2nccs2)o1 ZINC000014954089 558681704 /nfs/dbraw/zinc/68/17/04/558681704.db2.gz VIUSMWIMCZURBF-IBGZPJMESA-N 1 2 408.502 5.373 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2nccs2)c(C)s1 ZINC000014955637 558682330 /nfs/dbraw/zinc/68/23/30/558682330.db2.gz GSUPMGALGSPXKM-UHFFFAOYSA-N 1 2 412.559 5.445 50 0 HKAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2nccs2)c(C)s1 ZINC000014955637 558682332 /nfs/dbraw/zinc/68/23/32/558682332.db2.gz GSUPMGALGSPXKM-UHFFFAOYSA-N 1 2 412.559 5.445 50 0 HKAALO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962971 568487519 /nfs/dbraw/zinc/48/75/19/568487519.db2.gz NZDLBBVGKHFLOK-HNNXBMFYSA-N 1 2 418.994 5.288 50 0 HKAALO Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962971 568487520 /nfs/dbraw/zinc/48/75/20/568487520.db2.gz NZDLBBVGKHFLOK-HNNXBMFYSA-N 1 2 418.994 5.288 50 0 HKAALO Cc1ccc([C@H](C)CC[N@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962975 568487544 /nfs/dbraw/zinc/48/75/44/568487544.db2.gz NZDLBBVGKHFLOK-OAHLLOKOSA-N 1 2 418.994 5.288 50 0 HKAALO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962975 568487545 /nfs/dbraw/zinc/48/75/45/568487545.db2.gz NZDLBBVGKHFLOK-OAHLLOKOSA-N 1 2 418.994 5.288 50 0 HKAALO FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1 ZINC000014972053 558687906 /nfs/dbraw/zinc/68/79/06/558687906.db2.gz AGIWAXVIVYJIPU-QHCPKHFHSA-N 1 2 424.470 5.421 50 0 HKAALO FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1 ZINC000014972053 558687908 /nfs/dbraw/zinc/68/79/08/558687908.db2.gz AGIWAXVIVYJIPU-QHCPKHFHSA-N 1 2 424.470 5.421 50 0 HKAALO FC(F)(F)c1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1 ZINC000014972057 558687779 /nfs/dbraw/zinc/68/77/79/558687779.db2.gz AGIWAXVIVYJIPU-HSZRJFAPSA-N 1 2 424.470 5.421 50 0 HKAALO FC(F)(F)c1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1 ZINC000014972057 558687782 /nfs/dbraw/zinc/68/77/82/558687782.db2.gz AGIWAXVIVYJIPU-HSZRJFAPSA-N 1 2 424.470 5.421 50 0 HKAALO Cc1ncsc1C[N@@H+](Cc1nc(-c2ccccc2Cl)oc1C)Cc1ccccc1 ZINC000014973322 558688468 /nfs/dbraw/zinc/68/84/68/558688468.db2.gz FXHQKTHOZYYXRW-UHFFFAOYSA-N 1 2 423.969 6.271 50 0 HKAALO Cc1ncsc1C[N@H+](Cc1nc(-c2ccccc2Cl)oc1C)Cc1ccccc1 ZINC000014973322 558688473 /nfs/dbraw/zinc/68/84/73/558688473.db2.gz FXHQKTHOZYYXRW-UHFFFAOYSA-N 1 2 423.969 6.271 50 0 HKAALO CSc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)cc1 ZINC000014974985 558688770 /nfs/dbraw/zinc/68/87/70/558688770.db2.gz SEGSOUASLVHTGQ-DEOSSOPVSA-N 1 2 402.567 5.124 50 0 HKAALO CSc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)cc1 ZINC000014974985 558688772 /nfs/dbraw/zinc/68/87/72/558688772.db2.gz SEGSOUASLVHTGQ-DEOSSOPVSA-N 1 2 402.567 5.124 50 0 HKAALO CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)cc1 ZINC000014974988 558688791 /nfs/dbraw/zinc/68/87/91/558688791.db2.gz SEGSOUASLVHTGQ-XMMPIXPASA-N 1 2 402.567 5.124 50 0 HKAALO CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)cc1 ZINC000014974988 558688793 /nfs/dbraw/zinc/68/87/93/558688793.db2.gz SEGSOUASLVHTGQ-XMMPIXPASA-N 1 2 402.567 5.124 50 0 HKAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(F)cc2F)C3)cc1 ZINC000014981654 558691907 /nfs/dbraw/zinc/69/19/07/558691907.db2.gz IVAHFFRFHVNFEG-UHFFFAOYSA-N 1 2 411.448 5.044 50 0 HKAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(F)cc2F)C3)cc1 ZINC000014981654 558691908 /nfs/dbraw/zinc/69/19/08/558691908.db2.gz IVAHFFRFHVNFEG-UHFFFAOYSA-N 1 2 411.448 5.044 50 0 HKAALO Cc1nc([C@@H](C)[NH2+]Cc2cc3ccc(C)cc3n(Cc3cccc(C)c3)c2=O)cs1 ZINC000014982975 568690883 /nfs/dbraw/zinc/69/08/83/568690883.db2.gz WNZPUDNIDTZOMB-GOSISDBHSA-N 1 2 417.578 5.282 50 0 HKAALO Cc1nc([C@H](C)[NH2+]Cc2cc3ccc(C)cc3n(Cc3cccc(C)c3)c2=O)cs1 ZINC000014982978 568691158 /nfs/dbraw/zinc/69/11/58/568691158.db2.gz WNZPUDNIDTZOMB-SFHVURJKSA-N 1 2 417.578 5.282 50 0 HKAALO Cc1c[nH]c(CN2CC[C@@H](c3ccccc3C(F)(F)F)Sc3ccccc32)[nH+]1 ZINC000014986684 558693116 /nfs/dbraw/zinc/69/31/16/558693116.db2.gz KFKLRXJXEXHSFQ-SFHVURJKSA-N 1 2 403.473 5.981 50 0 HKAALO Cc1c[nH]c(CN2CC[C@H](c3ccccc3C(F)(F)F)Sc3ccccc32)[nH+]1 ZINC000014986685 558693072 /nfs/dbraw/zinc/69/30/72/558693072.db2.gz KFKLRXJXEXHSFQ-GOSISDBHSA-N 1 2 403.473 5.981 50 0 HKAALO Cc1cc(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccco2)CCO3)nc2cc(F)ccc12 ZINC000014994482 568722249 /nfs/dbraw/zinc/72/22/49/568722249.db2.gz RZTSNFUFOXGTTC-UHFFFAOYSA-N 1 2 404.441 5.043 50 0 HKAALO Cc1cc(-c2cc(O)c3c(c2)C[N@H+](Cc2ccco2)CCO3)nc2cc(F)ccc12 ZINC000014994482 568722253 /nfs/dbraw/zinc/72/22/53/568722253.db2.gz RZTSNFUFOXGTTC-UHFFFAOYSA-N 1 2 404.441 5.043 50 0 HKAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](Cc1cccc(F)c1)C2 ZINC000014998453 558696892 /nfs/dbraw/zinc/69/68/92/558696892.db2.gz MFDFISKOFRXXQE-UHFFFAOYSA-N 1 2 420.509 5.506 50 0 HKAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000014998453 558696895 /nfs/dbraw/zinc/69/68/95/558696895.db2.gz MFDFISKOFRXXQE-UHFFFAOYSA-N 1 2 420.509 5.506 50 0 HKAALO Cc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c1 ZINC000015071452 558713035 /nfs/dbraw/zinc/71/30/35/558713035.db2.gz CBGIIIKALKIFBU-UHFFFAOYSA-N 1 2 402.519 5.372 50 0 HKAALO Cc1cccc(C[N@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c1 ZINC000015071452 558713036 /nfs/dbraw/zinc/71/30/36/558713036.db2.gz CBGIIIKALKIFBU-UHFFFAOYSA-N 1 2 402.519 5.372 50 0 HKAALO Cc1cc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH]n1 ZINC000015071752 558713329 /nfs/dbraw/zinc/71/33/29/558713329.db2.gz ATFDQDDBJOVMTJ-UHFFFAOYSA-N 1 2 411.509 5.008 50 0 HKAALO Cc1cc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH]n1 ZINC000015071752 558713331 /nfs/dbraw/zinc/71/33/31/558713331.db2.gz ATFDQDDBJOVMTJ-UHFFFAOYSA-N 1 2 411.509 5.008 50 0 HKAALO CSc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000015074232 558715012 /nfs/dbraw/zinc/71/50/12/558715012.db2.gz VDRMHOUJZMEBKJ-HXUWFJFHSA-N 1 2 419.550 5.086 50 0 HKAALO CSc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000015074232 558715014 /nfs/dbraw/zinc/71/50/14/558715014.db2.gz VDRMHOUJZMEBKJ-HXUWFJFHSA-N 1 2 419.550 5.086 50 0 HKAALO CSc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000015074233 558715083 /nfs/dbraw/zinc/71/50/83/558715083.db2.gz VDRMHOUJZMEBKJ-FQEVSTJZSA-N 1 2 419.550 5.086 50 0 HKAALO CSc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000015074233 558715086 /nfs/dbraw/zinc/71/50/86/558715086.db2.gz VDRMHOUJZMEBKJ-FQEVSTJZSA-N 1 2 419.550 5.086 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2nccs2)cc1F ZINC000015075461 558716098 /nfs/dbraw/zinc/71/60/98/558716098.db2.gz ZSVAYUKCVQHVPA-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2nccs2)cc1F ZINC000015075461 558716101 /nfs/dbraw/zinc/71/61/01/558716101.db2.gz ZSVAYUKCVQHVPA-UHFFFAOYSA-N 1 2 422.529 5.084 50 0 HKAALO Cc1oc(-c2ccc(F)cc2)nc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015077154 558716920 /nfs/dbraw/zinc/71/69/20/558716920.db2.gz KWCVRRPDNNIPRY-UHFFFAOYSA-N 1 2 419.422 5.130 50 0 HKAALO O=C(C[N@@H+]1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083155 558719572 /nfs/dbraw/zinc/71/95/72/558719572.db2.gz WIGJXCPPBDQPNC-LJQANCHMSA-N 1 2 401.535 5.438 50 0 HKAALO O=C(C[N@H+]1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083155 558719574 /nfs/dbraw/zinc/71/95/74/558719574.db2.gz WIGJXCPPBDQPNC-LJQANCHMSA-N 1 2 401.535 5.438 50 0 HKAALO O=C(C[N@@H+]1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083157 558719588 /nfs/dbraw/zinc/71/95/88/558719588.db2.gz WIGJXCPPBDQPNC-IBGZPJMESA-N 1 2 401.535 5.438 50 0 HKAALO O=C(C[N@H+]1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083157 558719589 /nfs/dbraw/zinc/71/95/89/558719589.db2.gz WIGJXCPPBDQPNC-IBGZPJMESA-N 1 2 401.535 5.438 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl ZINC000015317944 568876927 /nfs/dbraw/zinc/87/69/27/568876927.db2.gz MWVYEFYIXPNYMH-UHFFFAOYSA-N 1 2 418.349 5.261 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl ZINC000015317944 568876928 /nfs/dbraw/zinc/87/69/28/568876928.db2.gz MWVYEFYIXPNYMH-UHFFFAOYSA-N 1 2 418.349 5.261 50 0 HKAALO O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000015356464 558735624 /nfs/dbraw/zinc/73/56/24/558735624.db2.gz JKQWQZNHMRAFIX-UHFFFAOYSA-N 1 2 420.513 5.207 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(Cl)cc1Cl ZINC000015375523 568884334 /nfs/dbraw/zinc/88/43/34/568884334.db2.gz IFLBPEOEZAOUDG-UHFFFAOYSA-N 1 2 418.349 5.261 50 0 HKAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(Cl)cc1Cl ZINC000015375523 568884336 /nfs/dbraw/zinc/88/43/36/568884336.db2.gz IFLBPEOEZAOUDG-UHFFFAOYSA-N 1 2 418.349 5.261 50 0 HKAALO COc1ccc(-c2noc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 ZINC000015548829 558743618 /nfs/dbraw/zinc/74/36/18/558743618.db2.gz NDYGDUPWUYUQGQ-HXUWFJFHSA-N 1 2 409.536 5.016 50 0 HKAALO COc1ccc(-c2noc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 ZINC000015548829 558743620 /nfs/dbraw/zinc/74/36/20/558743620.db2.gz NDYGDUPWUYUQGQ-HXUWFJFHSA-N 1 2 409.536 5.016 50 0 HKAALO COc1ccc(-c2noc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000015548830 558743580 /nfs/dbraw/zinc/74/35/80/558743580.db2.gz NDYGDUPWUYUQGQ-FQEVSTJZSA-N 1 2 409.536 5.016 50 0 HKAALO COc1ccc(-c2noc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000015548830 558743582 /nfs/dbraw/zinc/74/35/82/558743582.db2.gz NDYGDUPWUYUQGQ-FQEVSTJZSA-N 1 2 409.536 5.016 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(C)c4)cc3)nc(C)[nH+]2)cc1 ZINC000015671218 568961618 /nfs/dbraw/zinc/96/16/18/568961618.db2.gz OCZLSFPBXXSGDI-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(C)c4)cc3)[nH+]c(C)n2)cc1 ZINC000015671218 568961619 /nfs/dbraw/zinc/96/16/19/568961619.db2.gz OCZLSFPBXXSGDI-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)nc(C)[nH+]2)cc1 ZINC000015671219 568961614 /nfs/dbraw/zinc/96/16/14/568961614.db2.gz NLIUUJAMYQQVQJ-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)[nH+]c(C)n2)cc1 ZINC000015671219 568961615 /nfs/dbraw/zinc/96/16/15/568961615.db2.gz NLIUUJAMYQQVQJ-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO CCCC[N@H+](CCCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21)c1ccccc1 ZINC000015727469 568978370 /nfs/dbraw/zinc/97/83/70/568978370.db2.gz NAIDIOVNFWNLJG-UHFFFAOYSA-N 1 2 424.545 5.125 50 0 HKAALO CCCC[N@@H+](CCCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21)c1ccccc1 ZINC000015727469 568978371 /nfs/dbraw/zinc/97/83/71/568978371.db2.gz NAIDIOVNFWNLJG-UHFFFAOYSA-N 1 2 424.545 5.125 50 0 HKAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCC(Cc2ccccc2)CC1 ZINC000015827446 558754869 /nfs/dbraw/zinc/75/48/69/558754869.db2.gz OEMNRPVGNIBAEF-UHFFFAOYSA-N 1 2 417.944 5.236 50 0 HKAALO Clc1cccc(-n2ncc3c2nc[nH+]c3Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000015827451 558754949 /nfs/dbraw/zinc/75/49/49/558754949.db2.gz YHCJNSADWBLJPX-UHFFFAOYSA-N 1 2 412.884 5.956 50 0 HKAALO Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCOCC2)cc1 ZINC000015859335 569015054 /nfs/dbraw/zinc/01/50/54/569015054.db2.gz FJCNIFRIKKNYDA-HSZRJFAPSA-N 1 2 416.477 5.008 50 0 HKAALO Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCOCC2)cc1 ZINC000015859336 569015098 /nfs/dbraw/zinc/01/50/98/569015098.db2.gz FJCNIFRIKKNYDA-QHCPKHFHSA-N 1 2 416.477 5.008 50 0 HKAALO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)[NH+]1CCOCC1)c1cccs1 ZINC000015859365 569015322 /nfs/dbraw/zinc/01/53/22/569015322.db2.gz DNXWFPNAZPDSAD-QFIPXVFZSA-N 1 2 418.518 5.168 50 0 HKAALO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cccs1 ZINC000015859366 569015352 /nfs/dbraw/zinc/01/53/52/569015352.db2.gz DNXWFPNAZPDSAD-JOCHJYFZSA-N 1 2 418.518 5.168 50 0 HKAALO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1cccc[nH+]1)c1ccccn1 ZINC000015859757 569015408 /nfs/dbraw/zinc/01/54/08/569015408.db2.gz OFUOSQNDVYBBOW-DEOSSOPVSA-N 1 2 423.476 5.313 50 0 HKAALO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1cccc[nH+]1)c1ccccn1 ZINC000015859758 569015425 /nfs/dbraw/zinc/01/54/25/569015425.db2.gz OFUOSQNDVYBBOW-XMMPIXPASA-N 1 2 423.476 5.313 50 0 HKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)[nH+]c2c1 ZINC000015861916 569015640 /nfs/dbraw/zinc/01/56/40/569015640.db2.gz YSYAUOIAWVXNLO-UHFFFAOYSA-N 1 2 423.472 5.015 50 0 HKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)[nH]c2c1 ZINC000015861916 569015641 /nfs/dbraw/zinc/01/56/41/569015641.db2.gz YSYAUOIAWVXNLO-UHFFFAOYSA-N 1 2 423.472 5.015 50 0 HKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3)[nH+]c2c1 ZINC000015861919 569015685 /nfs/dbraw/zinc/01/56/85/569015685.db2.gz HRAUADKUXPFKSJ-UHFFFAOYSA-N 1 2 423.520 5.104 50 0 HKAALO COc1ccc(CCC(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)cc1 ZINC000015863585 569016138 /nfs/dbraw/zinc/01/61/38/569016138.db2.gz XGOLJNDHJWPYIL-UHFFFAOYSA-N 1 2 413.521 5.236 50 0 HKAALO COc1ccc(CCC(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)cc1 ZINC000015863585 569016139 /nfs/dbraw/zinc/01/61/39/569016139.db2.gz XGOLJNDHJWPYIL-UHFFFAOYSA-N 1 2 413.521 5.236 50 0 HKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)[nH+]c2c1 ZINC000015863597 569016167 /nfs/dbraw/zinc/01/61/67/569016167.db2.gz BKLATKGLVXQNDZ-UHFFFAOYSA-N 1 2 419.912 5.327 50 0 HKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000015863597 569016168 /nfs/dbraw/zinc/01/61/68/569016168.db2.gz BKLATKGLVXQNDZ-UHFFFAOYSA-N 1 2 419.912 5.327 50 0 HKAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)[nH+]c2c1 ZINC000015863608 569016208 /nfs/dbraw/zinc/01/62/08/569016208.db2.gz NXRVEFZMGOVBPN-UHFFFAOYSA-N 1 2 423.472 5.015 50 0 HKAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)[nH]c2c1 ZINC000015863608 569016209 /nfs/dbraw/zinc/01/62/09/569016209.db2.gz NXRVEFZMGOVBPN-UHFFFAOYSA-N 1 2 423.472 5.015 50 0 HKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(Br)cc1 ZINC000015863627 569016155 /nfs/dbraw/zinc/01/61/55/569016155.db2.gz QDEISMGELCTPDZ-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(COc1ccc(Cl)cc1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863634 569016172 /nfs/dbraw/zinc/01/61/72/569016172.db2.gz YRVKXWMXPVWNTD-UHFFFAOYSA-N 1 2 405.885 5.019 50 0 HKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cccc(Br)c1 ZINC000015863639 569016148 /nfs/dbraw/zinc/01/61/48/569016148.db2.gz AMGOKBYSNGTOMS-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO CCn1c(CCc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)[nH+]c2ccccc21 ZINC000015863663 569016135 /nfs/dbraw/zinc/01/61/35/569016135.db2.gz RAIHUUZFQZGCDJ-UHFFFAOYSA-N 1 2 412.537 5.160 50 0 HKAALO CCOc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3CC)c2)cc1 ZINC000015863673 569016278 /nfs/dbraw/zinc/01/62/78/569016278.db2.gz KJWKTZAVKDZPNK-UHFFFAOYSA-N 1 2 413.521 5.492 50 0 HKAALO Cn1c(CCc2cccc(NC(=O)CSc3ccccc3)c2)[nH+]c2ccccc21 ZINC000015863708 569016288 /nfs/dbraw/zinc/01/62/88/569016288.db2.gz BTHMHTARTHHRSC-UHFFFAOYSA-N 1 2 401.535 5.089 50 0 HKAALO O=C(COc1ccc(Cl)cc1)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000015863736 569016266 /nfs/dbraw/zinc/01/62/66/569016266.db2.gz VSUHPQVMUNNBPX-UHFFFAOYSA-N 1 2 405.885 5.019 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1Br ZINC000015863840 569016273 /nfs/dbraw/zinc/01/62/73/569016273.db2.gz GANGPTJYPGGRRH-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccc(Br)cc1 ZINC000015863866 569016270 /nfs/dbraw/zinc/01/62/70/569016270.db2.gz MICOTUQBWAMFMD-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000015863873 569016249 /nfs/dbraw/zinc/01/62/49/569016249.db2.gz BMROBWZMSUJMOW-UHFFFAOYSA-N 1 2 405.885 5.019 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cccc(Br)c1 ZINC000015863878 569016246 /nfs/dbraw/zinc/01/62/46/569016246.db2.gz DPRCUBDAQCJXKE-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cc(-c2cccs2)[nH]n1 ZINC000015863886 569016296 /nfs/dbraw/zinc/01/62/96/569016296.db2.gz FDMVNRSUYUHQJA-UHFFFAOYSA-N 1 2 413.506 5.052 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1C(F)(F)F ZINC000015863897 569016386 /nfs/dbraw/zinc/01/63/86/569016386.db2.gz DEKBMLAVHMDDEE-UHFFFAOYSA-N 1 2 409.411 5.619 50 0 HKAALO Cc1ccc(-c2nc3ccccc3c3nnc(SCc4cn5ccccc5[nH+]4)n32)cc1 ZINC000015868044 569017160 /nfs/dbraw/zinc/01/71/60/569017160.db2.gz YERAWLBPVTWTMI-UHFFFAOYSA-N 1 2 422.517 5.193 50 0 HKAALO Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)[nH+]c2c1 ZINC000015870699 569017409 /nfs/dbraw/zinc/01/74/09/569017409.db2.gz SLUYKBQEKYMKLF-UHFFFAOYSA-N 1 2 419.550 5.074 50 0 HKAALO CCc1ccc(S(=O)(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000015870707 569017441 /nfs/dbraw/zinc/01/74/41/569017441.db2.gz MJZIQKUMEBUKMI-UHFFFAOYSA-N 1 2 419.550 5.020 50 0 HKAALO CCc1ccccc1S(=O)(=O)Nc1ccc(CCc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000015870721 569017451 /nfs/dbraw/zinc/01/74/51/569017451.db2.gz AZXKRYBYYMXGCF-UHFFFAOYSA-N 1 2 419.550 5.020 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000015870736 569017423 /nfs/dbraw/zinc/01/74/23/569017423.db2.gz KVCCVCRDEIJGTR-UHFFFAOYSA-N 1 2 419.550 5.032 50 0 HKAALO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880214 569017981 /nfs/dbraw/zinc/01/79/81/569017981.db2.gz LFKLRRHEIXMNIK-UHFFFAOYSA-N 1 2 421.566 5.133 50 0 HKAALO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880214 569017982 /nfs/dbraw/zinc/01/79/82/569017982.db2.gz LFKLRRHEIXMNIK-UHFFFAOYSA-N 1 2 421.566 5.133 50 0 HKAALO CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000015880220 569017977 /nfs/dbraw/zinc/01/79/77/569017977.db2.gz OJBXWLXYJMOELU-UHFFFAOYSA-N 1 2 421.566 5.133 50 0 HKAALO CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000015880220 569017978 /nfs/dbraw/zinc/01/79/78/569017978.db2.gz OJBXWLXYJMOELU-UHFFFAOYSA-N 1 2 421.566 5.133 50 0 HKAALO CCSc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000015880247 569018015 /nfs/dbraw/zinc/01/80/15/569018015.db2.gz HEFRAIGNVMYYKS-UHFFFAOYSA-N 1 2 409.580 5.066 50 0 HKAALO CCSc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000015880247 569018016 /nfs/dbraw/zinc/01/80/16/569018016.db2.gz HEFRAIGNVMYYKS-UHFFFAOYSA-N 1 2 409.580 5.066 50 0 HKAALO CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880249 569017993 /nfs/dbraw/zinc/01/79/93/569017993.db2.gz ATNMXAOLLKYHNZ-UHFFFAOYSA-N 1 2 409.580 5.066 50 0 HKAALO CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880249 569017994 /nfs/dbraw/zinc/01/79/94/569017994.db2.gz ATNMXAOLLKYHNZ-UHFFFAOYSA-N 1 2 409.580 5.066 50 0 HKAALO CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880253 569017998 /nfs/dbraw/zinc/01/79/98/569017998.db2.gz OMWLDBJVASLDGB-UHFFFAOYSA-N 1 2 423.607 5.454 50 0 HKAALO CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880253 569017999 /nfs/dbraw/zinc/01/79/99/569017999.db2.gz OMWLDBJVASLDGB-UHFFFAOYSA-N 1 2 423.607 5.454 50 0 HKAALO CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000015880255 569017989 /nfs/dbraw/zinc/01/79/89/569017989.db2.gz AEOPADFDPZJRGE-UHFFFAOYSA-N 1 2 423.607 5.454 50 0 HKAALO CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000015880255 569017990 /nfs/dbraw/zinc/01/79/90/569017990.db2.gz AEOPADFDPZJRGE-UHFFFAOYSA-N 1 2 423.607 5.454 50 0 HKAALO S=C(NNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Oc2ccccc2)cc1 ZINC000015978072 558765068 /nfs/dbraw/zinc/76/50/68/558765068.db2.gz WEOLDQPAFSXXKU-UHFFFAOYSA-N 1 2 420.925 5.994 50 0 HKAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000016109786 558772142 /nfs/dbraw/zinc/77/21/42/558772142.db2.gz SBZNGLVDVKNRLL-UHFFFAOYSA-N 1 2 422.488 5.097 50 0 HKAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261752 558781856 /nfs/dbraw/zinc/78/18/56/558781856.db2.gz DBHZWDOCKIXROU-QFIPXVFZSA-N 1 2 401.897 5.260 50 0 HKAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261753 558781877 /nfs/dbraw/zinc/78/18/77/558781877.db2.gz DBHZWDOCKIXROU-JOCHJYFZSA-N 1 2 401.897 5.260 50 0 HKAALO Cc1ccc(-c2nc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263146 558781871 /nfs/dbraw/zinc/78/18/71/558781871.db2.gz IBDFRSFOJNGSJV-IBGZPJMESA-N 1 2 422.941 5.025 50 0 HKAALO Cc1ccc(-c2nc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263147 558781802 /nfs/dbraw/zinc/78/18/02/558781802.db2.gz IBDFRSFOJNGSJV-LJQANCHMSA-N 1 2 422.941 5.025 50 0 HKAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4Br)c3)[nH+]c12 ZINC000016286508 558783712 /nfs/dbraw/zinc/78/37/12/558783712.db2.gz BZVHWZABWJTOTM-UHFFFAOYSA-N 1 2 406.283 5.325 50 0 HKAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000016341595 558786927 /nfs/dbraw/zinc/78/69/27/558786927.db2.gz LHDBRUYYNOTFJP-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000016341595 558786929 /nfs/dbraw/zinc/78/69/29/558786929.db2.gz LHDBRUYYNOTFJP-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO CC[N@H+](Cc1ccc(Br)s1)Cc1nc(-c2ccccc2Cl)no1 ZINC000016349882 558787632 /nfs/dbraw/zinc/78/76/32/558787632.db2.gz KOIRBLSBHCYSMS-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO CC[N@@H+](Cc1ccc(Br)s1)Cc1nc(-c2ccccc2Cl)no1 ZINC000016349882 558787635 /nfs/dbraw/zinc/78/76/35/558787635.db2.gz KOIRBLSBHCYSMS-UHFFFAOYSA-N 1 2 412.740 5.236 50 0 HKAALO Cc1cccn2cc(CSc3nc(-c4cc5ccccc5oc4=O)cs3)[nH+]c12 ZINC000016363087 558788095 /nfs/dbraw/zinc/78/80/95/558788095.db2.gz HBBJRWQGBWEHAQ-UHFFFAOYSA-N 1 2 405.504 5.165 50 0 HKAALO Cc1ccn2cc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)[nH+]c2c1 ZINC000016363098 558788167 /nfs/dbraw/zinc/78/81/67/558788167.db2.gz RAVGAORCHVNHGD-UHFFFAOYSA-N 1 2 417.412 5.231 50 0 HKAALO Clc1ccccc1-c1nnc(C[NH+](Cc2cccs2)Cc2cccs2)o1 ZINC000016396771 558789413 /nfs/dbraw/zinc/78/94/13/558789413.db2.gz XHZGOIUHWOLOJD-UHFFFAOYSA-N 1 2 401.944 5.715 50 0 HKAALO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1OC ZINC000016677761 558798948 /nfs/dbraw/zinc/79/89/48/558798948.db2.gz ZKOCGPUCXGIYKO-QFIPXVFZSA-N 1 2 420.553 5.259 50 0 HKAALO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1OC ZINC000016677761 558798951 /nfs/dbraw/zinc/79/89/51/558798951.db2.gz ZKOCGPUCXGIYKO-QFIPXVFZSA-N 1 2 420.553 5.259 50 0 HKAALO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1OC ZINC000016677762 558798960 /nfs/dbraw/zinc/79/89/60/558798960.db2.gz ZKOCGPUCXGIYKO-JOCHJYFZSA-N 1 2 420.553 5.259 50 0 HKAALO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1OC ZINC000016677762 558798962 /nfs/dbraw/zinc/79/89/62/558798962.db2.gz ZKOCGPUCXGIYKO-JOCHJYFZSA-N 1 2 420.553 5.259 50 0 HKAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016689798 569070533 /nfs/dbraw/zinc/07/05/33/569070533.db2.gz RWUUYEFLSSWUDM-FCEWJHQRSA-N 1 2 422.554 5.132 50 0 HKAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016689798 569070534 /nfs/dbraw/zinc/07/05/34/569070534.db2.gz RWUUYEFLSSWUDM-FCEWJHQRSA-N 1 2 422.554 5.132 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000017013048 569271406 /nfs/dbraw/zinc/27/14/06/569271406.db2.gz QBPPONPMJQRHQG-UHFFFAOYSA-N 1 2 407.562 5.428 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000017013049 569271369 /nfs/dbraw/zinc/27/13/69/569271369.db2.gz QEQPCHAZAYKFFK-UHFFFAOYSA-N 1 2 421.589 5.818 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000017013114 558811667 /nfs/dbraw/zinc/81/16/67/558811667.db2.gz TVKPHKLWCQNEGN-UHFFFAOYSA-N 1 2 422.920 5.426 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000017013135 558811632 /nfs/dbraw/zinc/81/16/32/558811632.db2.gz GXOLFADFILIGMK-UHFFFAOYSA-N 1 2 420.492 5.302 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)[nH+]1 ZINC000017013145 558811702 /nfs/dbraw/zinc/81/17/02/558811702.db2.gz NYYMQIKUCYLUTL-UHFFFAOYSA-N 1 2 422.920 5.426 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)[nH+]1 ZINC000017013166 569271699 /nfs/dbraw/zinc/27/16/99/569271699.db2.gz ZDFZWCAOIFFWLE-UHFFFAOYSA-N 1 2 402.502 5.163 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)[nH+]1 ZINC000017013191 569271767 /nfs/dbraw/zinc/27/17/67/569271767.db2.gz CNDBXTACUGUBAM-UHFFFAOYSA-N 1 2 423.467 5.049 50 0 HKAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH+]1 ZINC000017013289 569271787 /nfs/dbraw/zinc/27/17/87/569271787.db2.gz KBLHXYNZRCGESF-UHFFFAOYSA-N 1 2 403.530 5.144 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000017013327 558811684 /nfs/dbraw/zinc/81/16/84/558811684.db2.gz GIFAGLWMDWHWAP-UHFFFAOYSA-N 1 2 407.905 5.035 50 0 HKAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)[nH+]1 ZINC000017013375 569271646 /nfs/dbraw/zinc/27/16/46/569271646.db2.gz PZEISURONIBDQZ-UHFFFAOYSA-N 1 2 423.520 5.514 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000017013561 569271753 /nfs/dbraw/zinc/27/17/53/569271753.db2.gz BEQXSULNZDWYJR-UHFFFAOYSA-N 1 2 407.905 5.035 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000017052634 569272644 /nfs/dbraw/zinc/27/26/44/569272644.db2.gz FJABKYJXZJXVKV-UHFFFAOYSA-N 1 2 415.541 5.388 50 0 HKAALO O=C(c1cccc(Oc2ccccc2)c1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000017087578 558816510 /nfs/dbraw/zinc/81/65/10/558816510.db2.gz ZABJSZKLVCBILT-UHFFFAOYSA-N 1 2 406.913 5.090 50 0 HKAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)c(C)c1 ZINC000017089623 569274710 /nfs/dbraw/zinc/27/47/10/569274710.db2.gz FSIHEXVQESLLKX-UHFFFAOYSA-N 1 2 413.525 5.136 50 0 HKAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000017120852 558823088 /nfs/dbraw/zinc/82/30/88/558823088.db2.gz IHOOMNFNZGNDDM-UHFFFAOYSA-N 1 2 417.944 5.236 50 0 HKAALO Cc1cccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)cc(C)[nH+]3)cc2)c1 ZINC000017122721 569275262 /nfs/dbraw/zinc/27/52/62/569275262.db2.gz JCUQDJCETIOPDQ-UHFFFAOYSA-N 1 2 401.514 5.080 50 0 HKAALO Cc1cccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000017135391 558823391 /nfs/dbraw/zinc/82/33/91/558823391.db2.gz HRFFIZVZDBARHN-UHFFFAOYSA-N 1 2 402.502 5.081 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)[nH+]1 ZINC000017135872 569275284 /nfs/dbraw/zinc/27/52/84/569275284.db2.gz JMGVMHHWBVQMGN-UHFFFAOYSA-N 1 2 401.514 5.080 50 0 HKAALO CCCOc1ccccc1-c1nc2c(c3[nH+]c4ccccc4n31)Cc1ccccc1O2 ZINC000017172949 558824857 /nfs/dbraw/zinc/82/48/57/558824857.db2.gz UZZOQIATLYOBKM-UHFFFAOYSA-N 1 2 407.473 6.035 50 0 HKAALO Clc1ccc2c(c1)nc(C[NH+]1CCN(c3ccccc3)CC1)n2Cc1ccccc1 ZINC000017194264 558825380 /nfs/dbraw/zinc/82/53/80/558825380.db2.gz AOSCOILAYZOIII-UHFFFAOYSA-N 1 2 416.956 5.060 50 0 HKAALO CC[C@@H](C(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1)c1ccccc1 ZINC000017269208 560706568 /nfs/dbraw/zinc/70/65/68/560706568.db2.gz WWLXXEGINDFGFB-JOCHJYFZSA-N 1 2 415.541 5.261 50 0 HKAALO CC[C@H](C(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1)c1ccccc1 ZINC000017269213 560706586 /nfs/dbraw/zinc/70/65/86/560706586.db2.gz WWLXXEGINDFGFB-QFIPXVFZSA-N 1 2 415.541 5.261 50 0 HKAALO CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000017270779 560706557 /nfs/dbraw/zinc/70/65/57/560706557.db2.gz BDLFTYXGFQNRDU-UHFFFAOYSA-N 1 2 419.529 5.026 50 0 HKAALO COc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc32)c2[nH+]ccn2C)c1 ZINC000017591157 560720080 /nfs/dbraw/zinc/72/00/80/560720080.db2.gz VEJHQXKFWDIMLH-HSZRJFAPSA-N 1 2 421.504 5.240 50 0 HKAALO COc1cccc([C@H](Nc2nc(-c3ccccc3)nc3ccccc32)c2[nH+]ccn2C)c1 ZINC000017591158 560720066 /nfs/dbraw/zinc/72/00/66/560720066.db2.gz VEJHQXKFWDIMLH-QHCPKHFHSA-N 1 2 421.504 5.240 50 0 HKAALO O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000018083971 569383428 /nfs/dbraw/zinc/38/34/28/569383428.db2.gz CRLQJTSACHTAGF-PUHABZHSSA-N 1 2 403.525 6.209 50 0 HKAALO CSC1=[NH+][C@H](c2ccc(Cl)cc2)C2=C(N1)C(=Cc1ccc(Cl)cc1)CCC2 ZINC000018212412 560784662 /nfs/dbraw/zinc/78/46/62/560784662.db2.gz KLHZPIQXLHOTBC-MQMQVCBVSA-N 1 2 415.389 6.878 50 0 HKAALO S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018244403 558834447 /nfs/dbraw/zinc/83/44/47/558834447.db2.gz ZRPJIHBJJOQXBX-UHFFFAOYSA-N 1 2 424.957 5.046 50 0 HKAALO Cc1nn(C)cc1C[N@H+](C)Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000019111270 558841782 /nfs/dbraw/zinc/84/17/82/558841782.db2.gz ULZUOLHOUCHPHC-UHFFFAOYSA-N 1 2 402.498 5.116 50 0 HKAALO Cc1nn(C)cc1C[N@@H+](C)Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000019111270 558841784 /nfs/dbraw/zinc/84/17/84/558841784.db2.gz ULZUOLHOUCHPHC-UHFFFAOYSA-N 1 2 402.498 5.116 50 0 HKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)Cc1cc2cc(F)ccc2[nH]1 ZINC000019224879 558852529 /nfs/dbraw/zinc/85/25/29/558852529.db2.gz QPIRNAPIMXAKGA-UHFFFAOYSA-N 1 2 417.406 5.921 50 0 HKAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)Cc1cc2cc(F)ccc2[nH]1 ZINC000019224879 558852531 /nfs/dbraw/zinc/85/25/31/558852531.db2.gz QPIRNAPIMXAKGA-UHFFFAOYSA-N 1 2 417.406 5.921 50 0 HKAALO CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318768 569417481 /nfs/dbraw/zinc/41/74/81/569417481.db2.gz ATMBWHLNFPSCDV-MHZLTWQESA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318768 569417483 /nfs/dbraw/zinc/41/74/83/569417483.db2.gz ATMBWHLNFPSCDV-MHZLTWQESA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318776 569417551 /nfs/dbraw/zinc/41/75/51/569417551.db2.gz ATMBWHLNFPSCDV-HHHXNRCGSA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318776 569417552 /nfs/dbraw/zinc/41/75/52/569417552.db2.gz ATMBWHLNFPSCDV-HHHXNRCGSA-N 1 2 418.556 5.940 50 0 HKAALO CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318982 569417488 /nfs/dbraw/zinc/41/74/88/569417488.db2.gz ASDFVIDUHCBTAA-MHZLTWQESA-N 1 2 402.557 6.103 50 0 HKAALO CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000019318982 569417490 /nfs/dbraw/zinc/41/74/90/569417490.db2.gz ASDFVIDUHCBTAA-MHZLTWQESA-N 1 2 402.557 6.103 50 0 HKAALO COc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)c2ccccc12 ZINC000019320047 569417445 /nfs/dbraw/zinc/41/74/45/569417445.db2.gz XVDWADVKBHTNGQ-UHFFFAOYSA-N 1 2 408.545 5.865 50 0 HKAALO COc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)c2ccccc12 ZINC000019320047 569417447 /nfs/dbraw/zinc/41/74/47/569417447.db2.gz XVDWADVKBHTNGQ-UHFFFAOYSA-N 1 2 408.545 5.865 50 0 HKAALO c1ccc(CN(Cc2ccccc2)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000019321072 569417711 /nfs/dbraw/zinc/41/77/11/569417711.db2.gz WVFBFEWKWKPZOV-UHFFFAOYSA-N 1 2 406.573 6.349 50 0 HKAALO CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000019321479 569417829 /nfs/dbraw/zinc/41/78/29/569417829.db2.gz ASDFVIDUHCBTAA-HHHXNRCGSA-N 1 2 402.557 6.103 50 0 HKAALO CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000019321479 569417830 /nfs/dbraw/zinc/41/78/30/569417830.db2.gz ASDFVIDUHCBTAA-HHHXNRCGSA-N 1 2 402.557 6.103 50 0 HKAALO COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000019321490 569417867 /nfs/dbraw/zinc/41/78/67/569417867.db2.gz DDTOVROQNYYCES-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccc(C)cc1 ZINC000019321490 569417868 /nfs/dbraw/zinc/41/78/68/569417868.db2.gz DDTOVROQNYYCES-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO Clc1ccc(CN2CC[N@H+](Cc3ccc(Cl)cc3)C2[C@@H]2CC=CCC2)cc1 ZINC000019322478 558867569 /nfs/dbraw/zinc/86/75/69/558867569.db2.gz IWAXPVCBPVNXPQ-HXUWFJFHSA-N 1 2 401.381 5.994 50 0 HKAALO Clc1ccc(CN2CC[N@@H+](Cc3ccc(Cl)cc3)C2[C@@H]2CC=CCC2)cc1 ZINC000019322478 558867571 /nfs/dbraw/zinc/86/75/71/558867571.db2.gz IWAXPVCBPVNXPQ-HXUWFJFHSA-N 1 2 401.381 5.994 50 0 HKAALO COc1ccc2ccccc2c1C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019324040 558867643 /nfs/dbraw/zinc/86/76/43/558867643.db2.gz JIFOLPIDEQIYLN-UHFFFAOYSA-N 1 2 408.545 5.865 50 0 HKAALO COc1ccc2ccccc2c1C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019324040 558867644 /nfs/dbraw/zinc/86/76/44/558867644.db2.gz JIFOLPIDEQIYLN-UHFFFAOYSA-N 1 2 408.545 5.865 50 0 HKAALO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2c2ccccc2)cc1 ZINC000019324616 558867723 /nfs/dbraw/zinc/86/77/23/558867723.db2.gz UCRCKXHQNNHFBL-UHFFFAOYSA-N 1 2 402.538 5.111 50 0 HKAALO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2c2ccccc2)cc1 ZINC000019324616 558867727 /nfs/dbraw/zinc/86/77/27/558867727.db2.gz UCRCKXHQNNHFBL-UHFFFAOYSA-N 1 2 402.538 5.111 50 0 HKAALO Clc1ccc(CN2CC[N@H+](Cc3ccc(Cl)cc3)C2[C@H]2CC=CCC2)cc1 ZINC000019325046 558867828 /nfs/dbraw/zinc/86/78/28/558867828.db2.gz IWAXPVCBPVNXPQ-FQEVSTJZSA-N 1 2 401.381 5.994 50 0 HKAALO Clc1ccc(CN2CC[N@@H+](Cc3ccc(Cl)cc3)C2[C@H]2CC=CCC2)cc1 ZINC000019325046 558867830 /nfs/dbraw/zinc/86/78/30/558867830.db2.gz IWAXPVCBPVNXPQ-FQEVSTJZSA-N 1 2 401.381 5.994 50 0 HKAALO COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000019325228 558867699 /nfs/dbraw/zinc/86/76/99/558867699.db2.gz LBDXIXIKZSPZMO-UHFFFAOYSA-N 1 2 422.572 6.255 50 0 HKAALO COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000019325228 558867700 /nfs/dbraw/zinc/86/77/00/558867700.db2.gz LBDXIXIKZSPZMO-UHFFFAOYSA-N 1 2 422.572 6.255 50 0 HKAALO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2c2cccs2)cc1 ZINC000019325842 558867785 /nfs/dbraw/zinc/86/77/85/558867785.db2.gz UKZWDSKBTBYSEI-UHFFFAOYSA-N 1 2 408.567 5.172 50 0 HKAALO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2c2cccs2)cc1 ZINC000019325842 558867787 /nfs/dbraw/zinc/86/77/87/558867787.db2.gz UKZWDSKBTBYSEI-UHFFFAOYSA-N 1 2 408.567 5.172 50 0 HKAALO CCOc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326572 569419594 /nfs/dbraw/zinc/41/95/94/569419594.db2.gz CBBBBDUJOXHEOH-HHHXNRCGSA-N 1 2 400.566 5.719 50 0 HKAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326572 569419595 /nfs/dbraw/zinc/41/95/95/569419595.db2.gz CBBBBDUJOXHEOH-HHHXNRCGSA-N 1 2 400.566 5.719 50 0 HKAALO CCOc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019326579 569419652 /nfs/dbraw/zinc/41/96/52/569419652.db2.gz DGJHJHYCRJZDDD-HHHXNRCGSA-N 1 2 416.565 5.419 50 0 HKAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019326579 569419653 /nfs/dbraw/zinc/41/96/53/569419653.db2.gz DGJHJHYCRJZDDD-HHHXNRCGSA-N 1 2 416.565 5.419 50 0 HKAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 ZINC000019326604 569419522 /nfs/dbraw/zinc/41/95/22/569419522.db2.gz NANBYMCOOZAYPS-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 ZINC000019326604 569419524 /nfs/dbraw/zinc/41/95/24/569419524.db2.gz NANBYMCOOZAYPS-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326607 569419585 /nfs/dbraw/zinc/41/95/85/569419585.db2.gz BSTMLQINOXQXHS-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326607 569419586 /nfs/dbraw/zinc/41/95/86/569419586.db2.gz BSTMLQINOXQXHS-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1cccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000019326669 569419597 /nfs/dbraw/zinc/41/95/97/569419597.db2.gz OFDQZSOGACRMNV-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO COc1cccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000019326669 569419598 /nfs/dbraw/zinc/41/95/98/569419598.db2.gz OFDQZSOGACRMNV-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000019326672 569419640 /nfs/dbraw/zinc/41/96/40/569419640.db2.gz OOJULHSWMVLHJM-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000019326672 569419641 /nfs/dbraw/zinc/41/96/41/569419641.db2.gz OOJULHSWMVLHJM-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO Cc1ccc([C@H]2N(Cc3ccccc3Cl)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326681 569419575 /nfs/dbraw/zinc/41/95/75/569419575.db2.gz ALGHCPIFLSMJQC-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO Cc1ccc([C@H]2N(Cc3ccccc3Cl)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326681 569419577 /nfs/dbraw/zinc/41/95/77/569419577.db2.gz ALGHCPIFLSMJQC-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO Cc1ccc([C@@H]2N(Cc3ccccc3Cl)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326684 569419644 /nfs/dbraw/zinc/41/96/44/569419644.db2.gz ALGHCPIFLSMJQC-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO Cc1ccc([C@@H]2N(Cc3ccccc3Cl)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326684 569419645 /nfs/dbraw/zinc/41/96/45/569419645.db2.gz ALGHCPIFLSMJQC-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 ZINC000019326690 569419558 /nfs/dbraw/zinc/41/95/58/569419558.db2.gz QSPNZYFXWMPAMX-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 ZINC000019326690 569419560 /nfs/dbraw/zinc/41/95/60/569419560.db2.gz QSPNZYFXWMPAMX-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(CN2CCC[N@H+](Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 ZINC000019326690 569419562 /nfs/dbraw/zinc/41/95/62/569419562.db2.gz QSPNZYFXWMPAMX-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(CN2CCC[N@@H+](Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 ZINC000019326690 569419563 /nfs/dbraw/zinc/41/95/63/569419563.db2.gz QSPNZYFXWMPAMX-AREMUKBSSA-N 1 2 404.985 6.364 50 0 HKAALO COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1cccc(C)c1 ZINC000019326703 569419529 /nfs/dbraw/zinc/41/95/29/569419529.db2.gz BNDCGQBZNIZQOD-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cccc(C)c1 ZINC000019326703 569419530 /nfs/dbraw/zinc/41/95/30/569419530.db2.gz BNDCGQBZNIZQOD-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326706 569419607 /nfs/dbraw/zinc/41/96/07/569419607.db2.gz RMDRZXZHFVJHSF-HHHXNRCGSA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326706 569419608 /nfs/dbraw/zinc/41/96/08/569419608.db2.gz RMDRZXZHFVJHSF-HHHXNRCGSA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326709 569419590 /nfs/dbraw/zinc/41/95/90/569419590.db2.gz RMDRZXZHFVJHSF-MHZLTWQESA-N 1 2 418.556 5.940 50 0 HKAALO CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326709 569419591 /nfs/dbraw/zinc/41/95/91/569419591.db2.gz RMDRZXZHFVJHSF-MHZLTWQESA-N 1 2 418.556 5.940 50 0 HKAALO CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326712 569419648 /nfs/dbraw/zinc/41/96/48/569419648.db2.gz CEOOACRXQAQPLO-HHHXNRCGSA-N 1 2 402.557 6.103 50 0 HKAALO CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326712 569419649 /nfs/dbraw/zinc/41/96/49/569419649.db2.gz CEOOACRXQAQPLO-HHHXNRCGSA-N 1 2 402.557 6.103 50 0 HKAALO CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326716 569419613 /nfs/dbraw/zinc/41/96/13/569419613.db2.gz CEOOACRXQAQPLO-MHZLTWQESA-N 1 2 402.557 6.103 50 0 HKAALO CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326716 569419614 /nfs/dbraw/zinc/41/96/14/569419614.db2.gz CEOOACRXQAQPLO-MHZLTWQESA-N 1 2 402.557 6.103 50 0 HKAALO CSc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000019326719 569419610 /nfs/dbraw/zinc/41/96/10/569419610.db2.gz CRDJOUTZLWRMKT-SANMLTNESA-N 1 2 420.597 6.263 50 0 HKAALO CSc1ccc([C@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000019326719 569419611 /nfs/dbraw/zinc/41/96/11/569419611.db2.gz CRDJOUTZLWRMKT-SANMLTNESA-N 1 2 420.597 6.263 50 0 HKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 ZINC000019326728 569419616 /nfs/dbraw/zinc/41/96/16/569419616.db2.gz MJEMWIXSBBYRPX-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 ZINC000019326728 569419617 /nfs/dbraw/zinc/41/96/17/569419617.db2.gz MJEMWIXSBBYRPX-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccccc1Cl ZINC000019326785 569419755 /nfs/dbraw/zinc/41/97/55/569419755.db2.gz XWXLZCMFKQMZOO-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccccc1Cl ZINC000019326785 569419756 /nfs/dbraw/zinc/41/97/56/569419756.db2.gz XWXLZCMFKQMZOO-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccccc1Cl ZINC000019326788 569419750 /nfs/dbraw/zinc/41/97/50/569419750.db2.gz XWXLZCMFKQMZOO-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccccc1Cl ZINC000019326788 569419751 /nfs/dbraw/zinc/41/97/51/569419751.db2.gz XWXLZCMFKQMZOO-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@H]1N(Cc2cccc(Cl)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019326803 569419769 /nfs/dbraw/zinc/41/97/69/569419769.db2.gz CHFCKTWXBHPXKG-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@H]1N(Cc2cccc(Cl)c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000019326803 569419770 /nfs/dbraw/zinc/41/97/70/569419770.db2.gz CHFCKTWXBHPXKG-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@@H]1N(Cc2cccc(Cl)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019326806 569419772 /nfs/dbraw/zinc/41/97/72/569419772.db2.gz CHFCKTWXBHPXKG-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1[C@@H]1N(Cc2cccc(Cl)c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000019326806 569419773 /nfs/dbraw/zinc/41/97/73/569419773.db2.gz CHFCKTWXBHPXKG-VWLOTQADSA-N 1 2 408.948 6.194 50 0 HKAALO Cc1cccc([C@H]2N(Cc3ccc(F)cc3Cl)CCC[N@@H+]2Cc2ccccc2C)c1 ZINC000019326818 569419739 /nfs/dbraw/zinc/41/97/39/569419739.db2.gz ANSRBZWYWOOXEN-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO Cc1cccc([C@H]2N(Cc3ccc(F)cc3Cl)CCC[N@H+]2Cc2ccccc2C)c1 ZINC000019326818 569419740 /nfs/dbraw/zinc/41/97/40/569419740.db2.gz ANSRBZWYWOOXEN-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO Cc1cccc([C@@H]2N(Cc3ccc(F)cc3Cl)CCC[N@@H+]2Cc2ccccc2C)c1 ZINC000019326820 569419733 /nfs/dbraw/zinc/41/97/33/569419733.db2.gz ANSRBZWYWOOXEN-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO Cc1cccc([C@@H]2N(Cc3ccc(F)cc3Cl)CCC[N@H+]2Cc2ccccc2C)c1 ZINC000019326820 569419735 /nfs/dbraw/zinc/41/97/35/569419735.db2.gz ANSRBZWYWOOXEN-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccc([C@H]2N(Cc3ccc(F)cc3Cl)CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000019326824 569419760 /nfs/dbraw/zinc/41/97/60/569419760.db2.gz NMJGCZDPSPZQEZ-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccc([C@H]2N(Cc3ccc(F)cc3Cl)CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000019326824 569419761 /nfs/dbraw/zinc/41/97/61/569419761.db2.gz NMJGCZDPSPZQEZ-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccc([C@@H]2N(Cc3ccc(F)cc3Cl)CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000019326827 569419703 /nfs/dbraw/zinc/41/97/03/569419703.db2.gz NMJGCZDPSPZQEZ-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccc([C@@H]2N(Cc3ccc(F)cc3Cl)CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000019326827 569419705 /nfs/dbraw/zinc/41/97/05/569419705.db2.gz NMJGCZDPSPZQEZ-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1c1ccccc1C ZINC000019326830 569419688 /nfs/dbraw/zinc/41/96/88/569419688.db2.gz XANLHWCQLWGVQV-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1c1ccccc1C ZINC000019326830 569419689 /nfs/dbraw/zinc/41/96/89/569419689.db2.gz XANLHWCQLWGVQV-AREMUKBSSA-N 1 2 422.975 6.503 50 0 HKAALO CCOc1cc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)ccc1O ZINC000019331194 571314484 /nfs/dbraw/zinc/31/44/84/571314484.db2.gz MCZSNCVHGUISNJ-UHFFFAOYSA-N 1 2 402.538 5.198 50 0 HKAALO CCOc1cc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)ccc1O ZINC000019331194 571314486 /nfs/dbraw/zinc/31/44/86/571314486.db2.gz MCZSNCVHGUISNJ-UHFFFAOYSA-N 1 2 402.538 5.198 50 0 HKAALO Cc1nonc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334841 558869666 /nfs/dbraw/zinc/86/96/66/558869666.db2.gz JCWRTUNAFXCEGD-QFIPXVFZSA-N 1 2 400.482 5.346 50 0 HKAALO Cc1nonc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334841 558869670 /nfs/dbraw/zinc/86/96/70/558869670.db2.gz JCWRTUNAFXCEGD-QFIPXVFZSA-N 1 2 400.482 5.346 50 0 HKAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334846 558869619 /nfs/dbraw/zinc/86/96/19/558869619.db2.gz JCWRTUNAFXCEGD-JOCHJYFZSA-N 1 2 400.482 5.346 50 0 HKAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334846 558869622 /nfs/dbraw/zinc/86/96/22/558869622.db2.gz JCWRTUNAFXCEGD-JOCHJYFZSA-N 1 2 400.482 5.346 50 0 HKAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019360739 558876074 /nfs/dbraw/zinc/87/60/74/558876074.db2.gz SMANXXCATUTDDT-QPJJXVBHSA-N 1 2 404.504 5.385 50 0 world HKAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019593428 558944298 /nfs/dbraw/zinc/94/42/98/558944298.db2.gz FLYIHTMXEVVEDD-DEOSSOPVSA-N 1 2 404.941 5.196 50 0 HKAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019593430 558944610 /nfs/dbraw/zinc/94/46/10/558944610.db2.gz FLYIHTMXEVVEDD-XMMPIXPASA-N 1 2 404.941 5.196 50 0 HKAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707753 558969927 /nfs/dbraw/zinc/96/99/27/558969927.db2.gz MBKSTSOMOGRYOR-NRFANRHFSA-N 1 2 412.320 5.011 50 0 HKAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707755 558969894 /nfs/dbraw/zinc/96/98/94/558969894.db2.gz MBKSTSOMOGRYOR-OAQYLSRUSA-N 1 2 412.320 5.011 50 0 HKAALO CCN1c2ccccc2[N@@H+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=N ZINC000019721018 558259272 /nfs/dbraw/zinc/25/92/72/558259272.db2.gz NJPVWDZXOABDQK-UHFFFAOYSA-N 1 2 407.558 5.126 50 0 HKAALO CCN1c2ccccc2[N@H+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=N ZINC000019721018 558259274 /nfs/dbraw/zinc/25/92/74/558259274.db2.gz NJPVWDZXOABDQK-UHFFFAOYSA-N 1 2 407.558 5.126 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(F)c1)CC2 ZINC000019732620 558259825 /nfs/dbraw/zinc/25/98/25/558259825.db2.gz XIVNMGKXOYGONW-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019732620 558259827 /nfs/dbraw/zinc/25/98/27/558259827.db2.gz XIVNMGKXOYGONW-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(F)c1)CC2 ZINC000019732622 558259927 /nfs/dbraw/zinc/25/99/27/558259927.db2.gz XIVNMGKXOYGONW-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019732622 558259931 /nfs/dbraw/zinc/25/99/31/558259931.db2.gz XIVNMGKXOYGONW-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO N=C1N(Cc2ccc(Cl)cc2)c2ccccc2[N@H+]1CC(=O)c1ccc(Cl)cc1 ZINC000019757316 558274874 /nfs/dbraw/zinc/27/48/74/558274874.db2.gz DNQVSRFHVHYFGW-UHFFFAOYSA-N 1 2 410.304 5.160 50 0 HKAALO N=C1N(Cc2ccc(Cl)cc2)c2ccccc2[N@@H+]1CC(=O)c1ccc(Cl)cc1 ZINC000019757316 558274877 /nfs/dbraw/zinc/27/48/77/558274877.db2.gz DNQVSRFHVHYFGW-UHFFFAOYSA-N 1 2 410.304 5.160 50 0 HKAALO COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCOCC2)cc1 ZINC000019773249 558280601 /nfs/dbraw/zinc/28/06/01/558280601.db2.gz FLXFPVCPLOGQHI-HSZRJFAPSA-N 1 2 411.586 5.417 50 0 HKAALO COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCOCC2)cc1 ZINC000019773251 558280639 /nfs/dbraw/zinc/28/06/39/558280639.db2.gz FLXFPVCPLOGQHI-QHCPKHFHSA-N 1 2 411.586 5.417 50 0 HKAALO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4ccc(OC)cc4)CC3)ccc21 ZINC000019781647 558281139 /nfs/dbraw/zinc/28/11/39/558281139.db2.gz RFBYCZYOLAFFQF-UHFFFAOYSA-N 1 2 413.565 5.141 50 0 HKAALO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cccc(OC)c4)CC3)ccc21 ZINC000019781789 558281164 /nfs/dbraw/zinc/28/11/64/558281164.db2.gz INVFWSFUAASLHX-UHFFFAOYSA-N 1 2 413.565 5.141 50 0 HKAALO Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1Cc1cccc2nccnc12 ZINC000019788516 558282004 /nfs/dbraw/zinc/28/20/04/558282004.db2.gz ZAUWZHUSFZGZFB-SANMLTNESA-N 1 2 408.480 5.398 50 0 HKAALO Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1Cc1cccc2nccnc12 ZINC000019788516 558282005 /nfs/dbraw/zinc/28/20/05/558282005.db2.gz ZAUWZHUSFZGZFB-SANMLTNESA-N 1 2 408.480 5.398 50 0 HKAALO Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1Cc1cccc2nccnc12 ZINC000019788518 558282013 /nfs/dbraw/zinc/28/20/13/558282013.db2.gz ZAUWZHUSFZGZFB-AREMUKBSSA-N 1 2 408.480 5.398 50 0 HKAALO Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1Cc1cccc2nccnc12 ZINC000019788518 558282015 /nfs/dbraw/zinc/28/20/15/558282015.db2.gz ZAUWZHUSFZGZFB-AREMUKBSSA-N 1 2 408.480 5.398 50 0 HKAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019789245 558282206 /nfs/dbraw/zinc/28/22/06/558282206.db2.gz YDBFRZZQFLIAQZ-UHFFFAOYSA-N 1 2 424.466 5.330 50 0 HKAALO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000019789909 558282340 /nfs/dbraw/zinc/28/23/40/558282340.db2.gz XIIVCUFXWBFWFB-UHFFFAOYSA-N 1 2 410.304 5.160 50 0 HKAALO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000019789909 558282343 /nfs/dbraw/zinc/28/23/43/558282343.db2.gz XIIVCUFXWBFWFB-UHFFFAOYSA-N 1 2 410.304 5.160 50 0 HKAALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019831913 558291936 /nfs/dbraw/zinc/29/19/36/558291936.db2.gz NQMUFIYYOJXIJQ-UHFFFAOYSA-N 1 2 402.563 5.034 50 0 HKAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019841244 558294412 /nfs/dbraw/zinc/29/44/12/558294412.db2.gz RBXUUDIDCVVRKW-UHFFFAOYSA-N 1 2 402.382 5.042 50 0 HKAALO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000019855199 560876385 /nfs/dbraw/zinc/87/63/85/560876385.db2.gz OCBHCDWERWZOBH-UHFFFAOYSA-N 1 2 417.512 5.520 50 0 HKAALO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000019855199 560876387 /nfs/dbraw/zinc/87/63/87/560876387.db2.gz OCBHCDWERWZOBH-UHFFFAOYSA-N 1 2 417.512 5.520 50 0 HKAALO COc1cc([C@@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000019864047 522912826 /nfs/dbraw/zinc/91/28/26/522912826.db2.gz FPSFTKFXPFFQPT-HSZRJFAPSA-N 1 2 403.482 5.099 50 0 HKAALO COc1cc([C@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000019864050 569431650 /nfs/dbraw/zinc/43/16/50/569431650.db2.gz FPSFTKFXPFFQPT-QHCPKHFHSA-N 1 2 403.482 5.099 50 0 HKAALO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019877328 558299962 /nfs/dbraw/zinc/29/99/62/558299962.db2.gz RPCPZNSMAZRUDB-UHFFFAOYSA-N 1 2 422.912 5.217 50 0 HKAALO CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1)CCCC2 ZINC000019879459 569432948 /nfs/dbraw/zinc/43/29/48/569432948.db2.gz JNIFBUCLQBVDRX-HSZRJFAPSA-N 1 2 412.599 5.130 50 0 HKAALO CC(=O)Nc1sc2c(c1[C@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1)CCCC2 ZINC000019879462 569432957 /nfs/dbraw/zinc/43/29/57/569432957.db2.gz JNIFBUCLQBVDRX-QHCPKHFHSA-N 1 2 412.599 5.130 50 0 HKAALO Cc1ccc(CN2c3ccccc3[N@@H+](CC(=O)c3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000019879846 558300494 /nfs/dbraw/zinc/30/04/94/558300494.db2.gz CMCNQNLQAYXXQA-UHFFFAOYSA-N 1 2 424.331 5.469 50 0 HKAALO Cc1ccc(CN2c3ccccc3[N@H+](CC(=O)c3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000019879846 558300497 /nfs/dbraw/zinc/30/04/97/558300497.db2.gz CMCNQNLQAYXXQA-UHFFFAOYSA-N 1 2 424.331 5.469 50 0 HKAALO COc1ccc([C@@H]([NH2+]Cc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000019883218 558301459 /nfs/dbraw/zinc/30/14/59/558301459.db2.gz FEBNNVSYKXRBBC-QHCPKHFHSA-N 1 2 419.502 6.022 50 0 HKAALO COc1ccc([C@H]([NH2+]Cc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000019883220 558301467 /nfs/dbraw/zinc/30/14/67/558301467.db2.gz FEBNNVSYKXRBBC-HSZRJFAPSA-N 1 2 419.502 6.022 50 0 HKAALO Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)C[N@H+](C)CC4)cc1 ZINC000019889362 558302358 /nfs/dbraw/zinc/30/23/58/558302358.db2.gz YECPOYLRMQFZPN-UHFFFAOYSA-N 1 2 413.546 5.073 50 0 HKAALO Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)C[N@@H+](C)CC4)cc1 ZINC000019889362 558302360 /nfs/dbraw/zinc/30/23/60/558302360.db2.gz YECPOYLRMQFZPN-UHFFFAOYSA-N 1 2 413.546 5.073 50 0 HKAALO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1NCc1ccc(OC)cc1 ZINC000019891672 569433262 /nfs/dbraw/zinc/43/32/62/569433262.db2.gz BHQUQSAGQBSPOI-UHFFFAOYSA-N 1 2 404.388 5.051 50 0 HKAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000019893535 569433230 /nfs/dbraw/zinc/43/32/30/569433230.db2.gz VOTFHDAYWXJOMB-JXMROGBWSA-N 1 2 417.597 5.004 50 0 HKAALO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCCn1cc[nH+]c1)n2C ZINC000019894357 558303680 /nfs/dbraw/zinc/30/36/80/558303680.db2.gz FXVQLWQRVFJMIJ-UHFFFAOYSA-N 1 2 420.944 5.078 50 0 HKAALO [NH2+]=c1n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F ZINC000019900324 558305128 /nfs/dbraw/zinc/30/51/28/558305128.db2.gz QNNJGZWDLFIKCQ-UHFFFAOYSA-N 1 2 411.480 5.342 50 0 HKAALO CCCN1c2ccccc2[N@@H+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=N ZINC000019900970 558305095 /nfs/dbraw/zinc/30/50/95/558305095.db2.gz DBGHZDXMXOFWBW-UHFFFAOYSA-N 1 2 421.585 5.516 50 0 HKAALO CCCN1c2ccccc2[N@H+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=N ZINC000019900970 558305097 /nfs/dbraw/zinc/30/50/97/558305097.db2.gz DBGHZDXMXOFWBW-UHFFFAOYSA-N 1 2 421.585 5.516 50 0 HKAALO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1 ZINC000019907599 558305935 /nfs/dbraw/zinc/30/59/35/558305935.db2.gz MFAGEJJMFOHPGL-QHCPKHFHSA-N 1 2 417.944 5.154 50 0 HKAALO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1 ZINC000019907599 558305937 /nfs/dbraw/zinc/30/59/37/558305937.db2.gz MFAGEJJMFOHPGL-QHCPKHFHSA-N 1 2 417.944 5.154 50 0 HKAALO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1 ZINC000019907601 558305955 /nfs/dbraw/zinc/30/59/55/558305955.db2.gz MFAGEJJMFOHPGL-HSZRJFAPSA-N 1 2 417.944 5.154 50 0 HKAALO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1 ZINC000019907601 558305956 /nfs/dbraw/zinc/30/59/56/558305956.db2.gz MFAGEJJMFOHPGL-HSZRJFAPSA-N 1 2 417.944 5.154 50 0 HKAALO O=C(CCc1ccccc1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000019911328 569357529 /nfs/dbraw/zinc/35/75/29/569357529.db2.gz QEEPLLWXXWOYJV-UHFFFAOYSA-N 1 2 407.517 5.369 50 0 HKAALO CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C[NH+]2CCOCC2)CCCC3)cc1 ZINC000019911555 568585746 /nfs/dbraw/zinc/58/57/46/568585746.db2.gz LDMVAJKFLNDMPO-UHFFFAOYSA-N 1 2 412.599 5.009 50 0 HKAALO O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1C[NH+]1CCCCC1 ZINC000019911718 558306602 /nfs/dbraw/zinc/30/66/02/558306602.db2.gz PEPBJCHRMAGCDK-LDADJPATSA-N 1 2 402.903 5.080 50 0 HKAALO O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1C[NH+]1CCCCC1 ZINC000019911721 558306586 /nfs/dbraw/zinc/30/65/86/558306586.db2.gz LLWBDECVKWZHCB-LDADJPATSA-N 1 2 402.903 5.080 50 0 HKAALO [NH2+]=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000019952497 558315079 /nfs/dbraw/zinc/31/50/79/558315079.db2.gz YLLWGSXWUZTVKE-UHFFFAOYSA-N 1 2 412.320 5.356 50 0 HKAALO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019952552 558315055 /nfs/dbraw/zinc/31/50/55/558315055.db2.gz HODZVUNFLGXUQV-UHFFFAOYSA-N 1 2 418.562 5.063 50 0 HKAALO Clc1ccc(-c2csc(N3CC[NH+](Cc4ccccc4Cl)CC3)n2)cc1 ZINC000020076935 568587646 /nfs/dbraw/zinc/58/76/46/568587646.db2.gz KVJZUEIKKNNCLN-UHFFFAOYSA-N 1 2 404.366 5.439 50 0 HKAALO CCCCOP(=O)(OCCCC)[C@@H]([NH2+]Cc1ccccc1)c1ccc(OC)cc1 ZINC000020102838 558332337 /nfs/dbraw/zinc/33/23/37/558332337.db2.gz PWXSVOMTJRHYKW-HSZRJFAPSA-N 1 2 419.502 6.310 50 0 HKAALO CCCCOP(=O)(OCCCC)[C@H]([NH2+]Cc1ccccc1)c1ccc(OC)cc1 ZINC000020102841 558332425 /nfs/dbraw/zinc/33/24/25/558332425.db2.gz PWXSVOMTJRHYKW-QHCPKHFHSA-N 1 2 419.502 6.310 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 ZINC000020113965 558336546 /nfs/dbraw/zinc/33/65/46/558336546.db2.gz LXIXMWLYDMFZQX-UHFFFAOYSA-N 1 2 415.581 6.329 50 0 HKAALO CCOP(=O)(OCC)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000020135600 558337430 /nfs/dbraw/zinc/33/74/30/558337430.db2.gz NXISYYBJKHRUDP-GOSISDBHSA-N 1 2 412.264 5.504 50 0 HKAALO CCOP(=O)(OCC)[C@H]([NH2+]Cc1ccccc1)c1ccc(Br)cc1 ZINC000020135606 558337553 /nfs/dbraw/zinc/33/75/53/558337553.db2.gz NXISYYBJKHRUDP-SFHVURJKSA-N 1 2 412.264 5.504 50 0 HKAALO O=c1c2c3c(sc2[nH]c(=S)n1C1CCCCC1)C[N@H+](Cc1ccccc1)CC3 ZINC000020158691 558342364 /nfs/dbraw/zinc/34/23/64/558342364.db2.gz DPLKFYAMDWWOHS-UHFFFAOYSA-N 1 2 411.596 5.184 50 0 HKAALO O=c1c2c3c(sc2[nH]c(=S)n1C1CCCCC1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020158691 558342366 /nfs/dbraw/zinc/34/23/66/558342366.db2.gz DPLKFYAMDWWOHS-UHFFFAOYSA-N 1 2 411.596 5.184 50 0 HKAALO Clc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000020178181 568592748 /nfs/dbraw/zinc/59/27/48/568592748.db2.gz ZWHGECRUIGFXQN-NRFANRHFSA-N 1 2 424.331 5.965 50 0 HKAALO Clc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000020178183 568592900 /nfs/dbraw/zinc/59/29/00/568592900.db2.gz ZWHGECRUIGFXQN-OAQYLSRUSA-N 1 2 424.331 5.965 50 0 HKAALO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3)CC2)c1 ZINC000020178219 568592777 /nfs/dbraw/zinc/59/27/77/568592777.db2.gz NSJLZOXQOTUFIH-VWLOTQADSA-N 1 2 424.548 5.265 50 0 HKAALO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3)CC2)c1 ZINC000020178221 568592758 /nfs/dbraw/zinc/59/27/58/568592758.db2.gz NSJLZOXQOTUFIH-RUZDIDTESA-N 1 2 424.548 5.265 50 0 HKAALO Fc1ccc(C[NH2+][C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178321 568592867 /nfs/dbraw/zinc/59/28/67/568592867.db2.gz NPOLRHCEHNOBME-FQEVSTJZSA-N 1 2 411.839 5.547 50 0 HKAALO Fc1ccc(C[NH2+][C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178323 568592753 /nfs/dbraw/zinc/59/27/53/568592753.db2.gz NPOLRHCEHNOBME-HXUWFJFHSA-N 1 2 411.839 5.547 50 0 HKAALO Fc1ccccc1[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000020178352 568592784 /nfs/dbraw/zinc/59/27/84/568592784.db2.gz UBBKHPPSXJIFMA-OAQYLSRUSA-N 1 2 407.876 5.451 50 0 HKAALO Fc1ccccc1[C@H]([NH2+]CCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000020178354 568592863 /nfs/dbraw/zinc/59/28/63/568592863.db2.gz UBBKHPPSXJIFMA-NRFANRHFSA-N 1 2 407.876 5.451 50 0 HKAALO Cc1sc2c(c1C)C[N@@H+](CCc1c[nH]c3ccccc13)CN2C(=O)c1ccco1 ZINC000020192549 568593590 /nfs/dbraw/zinc/59/35/90/568593590.db2.gz BKQDGCNMSPYSQJ-UHFFFAOYSA-N 1 2 405.523 5.102 50 0 HKAALO Cc1sc2c(c1C)C[N@H+](CCc1c[nH]c3ccccc13)CN2C(=O)c1ccco1 ZINC000020192549 568593593 /nfs/dbraw/zinc/59/35/93/568593593.db2.gz BKQDGCNMSPYSQJ-UHFFFAOYSA-N 1 2 405.523 5.102 50 0 HKAALO CCc1cc([C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000020193309 558344765 /nfs/dbraw/zinc/34/47/65/558344765.db2.gz QSUMPNRMTBNOGD-QHCPKHFHSA-N 1 2 420.578 5.293 50 0 HKAALO CCc1cc([C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000020193310 558344781 /nfs/dbraw/zinc/34/47/81/558344781.db2.gz QSUMPNRMTBNOGD-HSZRJFAPSA-N 1 2 420.578 5.293 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2CCOCC2)c1C ZINC000020193371 568593967 /nfs/dbraw/zinc/59/39/67/568593967.db2.gz BSGMBMCNVBQUSR-QFIPXVFZSA-N 1 2 406.551 5.039 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2CCOCC2)c1C ZINC000020193374 526884954 /nfs/dbraw/zinc/88/49/54/526884954.db2.gz BSGMBMCNVBQUSR-JOCHJYFZSA-N 1 2 406.551 5.039 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)[NH+]2CCOCC2)c1C ZINC000020193563 568593914 /nfs/dbraw/zinc/59/39/14/568593914.db2.gz XBIOKJWOWDTWMO-FQEVSTJZSA-N 1 2 412.580 5.100 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)[NH+]2CCOCC2)c1C ZINC000020193566 568593918 /nfs/dbraw/zinc/59/39/18/568593918.db2.gz XBIOKJWOWDTWMO-HXUWFJFHSA-N 1 2 412.580 5.100 50 0 HKAALO CCOC(=O)C1CC[NH+](Cc2cnc(Oc3ccc(C(C)(C)C)cc3)s2)CC1 ZINC000020218615 568594769 /nfs/dbraw/zinc/59/47/69/568594769.db2.gz VSIBDRHENNWCPD-UHFFFAOYSA-N 1 2 402.560 5.008 50 0 HKAALO CC(C)(C)c1ccc(Oc2ncc(C[NH+]3CCN(c4ccccc4)CC3)s2)cc1 ZINC000020218617 568594925 /nfs/dbraw/zinc/59/49/25/568594925.db2.gz UFRFAJKMKYNDNS-UHFFFAOYSA-N 1 2 407.583 5.555 50 0 HKAALO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000020232708 558350492 /nfs/dbraw/zinc/35/04/92/558350492.db2.gz VXFAKTCTIRFEJX-UHFFFAOYSA-N 1 2 400.588 5.045 50 0 HKAALO COc1cccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000020237060 568595681 /nfs/dbraw/zinc/59/56/81/568595681.db2.gz OFDQZSOGACRMNV-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1cccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000020237060 568595682 /nfs/dbraw/zinc/59/56/82/568595682.db2.gz OFDQZSOGACRMNV-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000020237063 568595746 /nfs/dbraw/zinc/59/57/46/568595746.db2.gz OOJULHSWMVLHJM-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000020237063 568595747 /nfs/dbraw/zinc/59/57/47/568595747.db2.gz OOJULHSWMVLHJM-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1cccc(C)c1 ZINC000020237075 568595588 /nfs/dbraw/zinc/59/55/88/568595588.db2.gz BNDCGQBZNIZQOD-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cccc(C)c1 ZINC000020237075 568595590 /nfs/dbraw/zinc/59/55/90/568595590.db2.gz BNDCGQBZNIZQOD-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO CSc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000020237078 568595732 /nfs/dbraw/zinc/59/57/32/568595732.db2.gz CRDJOUTZLWRMKT-AREMUKBSSA-N 1 2 420.597 6.263 50 0 HKAALO CSc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000020237078 568595734 /nfs/dbraw/zinc/59/57/34/568595734.db2.gz CRDJOUTZLWRMKT-AREMUKBSSA-N 1 2 420.597 6.263 50 0 HKAALO CCCCCCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000020265833 558352484 /nfs/dbraw/zinc/35/24/84/558352484.db2.gz QZZJPBSNJUHQNE-CAPFRKAQSA-N 1 2 402.560 5.125 50 0 HKAALO O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020286100 568597011 /nfs/dbraw/zinc/59/70/11/568597011.db2.gz KGTZNQREYYWDNJ-UHFFFAOYSA-N 1 2 421.953 5.061 50 0 HKAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000020321568 526365167 /nfs/dbraw/zinc/36/51/67/526365167.db2.gz QXYNEJWZHONXSB-HHHXNRCGSA-N 1 2 420.516 5.411 50 0 HKAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000020321568 526365175 /nfs/dbraw/zinc/36/51/75/526365175.db2.gz QXYNEJWZHONXSB-HHHXNRCGSA-N 1 2 420.516 5.411 50 0 HKAALO CC[N@H+](CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)c1ccccc1 ZINC000020329943 568599022 /nfs/dbraw/zinc/59/90/22/568599022.db2.gz NTFICOUUTNVJMM-UHFFFAOYSA-N 1 2 407.905 5.267 50 0 HKAALO CC[N@@H+](CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)c1ccccc1 ZINC000020329943 568599024 /nfs/dbraw/zinc/59/90/24/568599024.db2.gz NTFICOUUTNVJMM-UHFFFAOYSA-N 1 2 407.905 5.267 50 0 HKAALO CSc1nc2sc3c(c2c(SCCCc2ccccc2)n1)CC[N@@H+](C)C3 ZINC000020358277 558357877 /nfs/dbraw/zinc/35/78/77/558357877.db2.gz MRZFTJGMXRKNEH-UHFFFAOYSA-N 1 2 401.626 5.126 50 0 HKAALO CSc1nc2sc3c(c2c(SCCCc2ccccc2)n1)CC[N@H+](C)C3 ZINC000020358277 558357879 /nfs/dbraw/zinc/35/78/79/558357879.db2.gz MRZFTJGMXRKNEH-UHFFFAOYSA-N 1 2 401.626 5.126 50 0 HKAALO CSc1nc2sc3c(c2c(SCc2ccc(Cl)cc2)n1)CC[N@H+](C)C3 ZINC000020358293 558357939 /nfs/dbraw/zinc/35/79/39/558357939.db2.gz OHUCVUCZUWYQCU-UHFFFAOYSA-N 1 2 408.017 5.347 50 0 HKAALO CSc1nc2sc3c(c2c(SCc2ccc(Cl)cc2)n1)CC[N@@H+](C)C3 ZINC000020358293 558357942 /nfs/dbraw/zinc/35/79/42/558357942.db2.gz OHUCVUCZUWYQCU-UHFFFAOYSA-N 1 2 408.017 5.347 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(C(F)(F)F)cc2c1NCc1ccc(Cl)cc1 ZINC000020385804 568603325 /nfs/dbraw/zinc/60/33/25/568603325.db2.gz FXYMAPBIMLBXLA-UHFFFAOYSA-N 1 2 408.807 5.696 50 0 HKAALO CSc1nc2sc3c(c2c(SCc2ccccc2Cl)n1)CC[N@H+](C)C3 ZINC000020392488 558359291 /nfs/dbraw/zinc/35/92/91/558359291.db2.gz WUCPPSQIFVOVEA-UHFFFAOYSA-N 1 2 408.017 5.347 50 0 HKAALO CSc1nc2sc3c(c2c(SCc2ccccc2Cl)n1)CC[N@@H+](C)C3 ZINC000020392488 558359293 /nfs/dbraw/zinc/35/92/93/558359293.db2.gz WUCPPSQIFVOVEA-UHFFFAOYSA-N 1 2 408.017 5.347 50 0 HKAALO Cc1ccc2c(Cl)c(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)sc2c1 ZINC000020407784 558360354 /nfs/dbraw/zinc/36/03/54/558360354.db2.gz GPZLHHVPZZMWEF-VMPITWQZSA-N 1 2 410.970 5.334 50 0 HKAALO O=C(c1cc2ccccc2s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421580 558361889 /nfs/dbraw/zinc/36/18/89/558361889.db2.gz JKRXUZDQJHZIFI-UHFFFAOYSA-N 1 2 412.558 5.449 50 0 HKAALO CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020432228 558362699 /nfs/dbraw/zinc/36/26/99/558362699.db2.gz DRFKXKZJRZEGFR-UHFFFAOYSA-N 1 2 404.992 5.057 50 0 HKAALO CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020432228 558362702 /nfs/dbraw/zinc/36/27/02/558362702.db2.gz DRFKXKZJRZEGFR-UHFFFAOYSA-N 1 2 404.992 5.057 50 0 HKAALO S=c1sc2ccccc2n1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020432522 568606998 /nfs/dbraw/zinc/60/69/98/568606998.db2.gz NWUNJDVRVWNCRH-UHFFFAOYSA-N 1 2 410.395 5.519 50 0 HKAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000020442553 558363785 /nfs/dbraw/zinc/36/37/85/558363785.db2.gz JBQMZMQYYCMZNK-UHFFFAOYSA-N 1 2 408.933 5.090 50 0 HKAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000020442553 558363787 /nfs/dbraw/zinc/36/37/87/558363787.db2.gz JBQMZMQYYCMZNK-UHFFFAOYSA-N 1 2 408.933 5.090 50 0 HKAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020457862 558370889 /nfs/dbraw/zinc/37/08/89/558370889.db2.gz RARVENVSICZKLW-UHFFFAOYSA-N 1 2 421.349 5.293 50 0 HKAALO Cc1cccn2cc(-c3ccc(C)c(NS(=O)(=O)c4ccc(C)c(C)c4)c3)[nH+]c12 ZINC000020463701 568609996 /nfs/dbraw/zinc/60/99/96/568609996.db2.gz ACDIXVWWBNJWHR-UHFFFAOYSA-N 1 2 405.523 5.036 50 0 HKAALO Cc1cccc(NC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000020503172 568619551 /nfs/dbraw/zinc/61/95/51/568619551.db2.gz IWPRIMDUKNIZGM-UHFFFAOYSA-N 1 2 421.491 5.212 50 0 HKAALO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508664 526325333 /nfs/dbraw/zinc/32/53/33/526325333.db2.gz YSEJUFKHKNFETC-JLHYYAGUSA-N 1 2 410.561 5.066 50 0 HKAALO O=C(c1sc2cccc(Cl)c2c1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522533 558383635 /nfs/dbraw/zinc/38/36/35/558383635.db2.gz LQSPVWAQGFKWJX-UHFFFAOYSA-N 1 2 405.350 5.166 50 0 HKAALO COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cccc(OC)c4)ccc3[nH+]2)cc1 ZINC000020532796 568628643 /nfs/dbraw/zinc/62/86/43/568628643.db2.gz QEDLXJAXXMAELG-UHFFFAOYSA-N 1 2 413.477 5.556 50 0 HKAALO COc1ccc(Nc2cc(C)c3cc(NC(=O)Cc4cccs4)ccc3[nH+]2)cc1 ZINC000020532797 568628726 /nfs/dbraw/zinc/62/87/26/568628726.db2.gz YOWMSABMAJXCFZ-UHFFFAOYSA-N 1 2 403.507 5.538 50 0 HKAALO COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3[nH+]2)cc1 ZINC000020532801 568628607 /nfs/dbraw/zinc/62/86/07/568628607.db2.gz XIHGBLWCWSAVQN-UHFFFAOYSA-N 1 2 422.488 6.029 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)c3ccncc3)cc12 ZINC000020532805 568628507 /nfs/dbraw/zinc/62/85/07/568628507.db2.gz LQJWGBPLTBVHJV-UHFFFAOYSA-N 1 2 422.410 5.953 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)c3cnccn3)cc12 ZINC000020532817 568628626 /nfs/dbraw/zinc/62/86/26/568628626.db2.gz PKJAJMFODVCPHN-UHFFFAOYSA-N 1 2 423.398 5.348 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)c3ccco3)cc12 ZINC000020532818 568628684 /nfs/dbraw/zinc/62/86/84/568628684.db2.gz PHHHQSZEPVCGJP-UHFFFAOYSA-N 1 2 411.383 6.151 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)c3ccccn3)cc12 ZINC000020532829 568628540 /nfs/dbraw/zinc/62/85/40/568628540.db2.gz XXTAHWVAQMZRRE-UHFFFAOYSA-N 1 2 422.410 5.953 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)[C@@H]3CCCO3)cc12 ZINC000020532842 568628668 /nfs/dbraw/zinc/62/86/68/568628668.db2.gz QWQJWKOHDNWMBJ-IBGZPJMESA-N 1 2 415.415 5.423 50 0 HKAALO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccc(NC(=O)[C@H]3CCCO3)cc12 ZINC000020532843 568628713 /nfs/dbraw/zinc/62/87/13/568628713.db2.gz QWQJWKOHDNWMBJ-LJQANCHMSA-N 1 2 415.415 5.423 50 0 HKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3cccnc3Cl)cc12 ZINC000020532853 568628635 /nfs/dbraw/zinc/62/86/35/568628635.db2.gz BNPFHGUTKYLTCB-UHFFFAOYSA-N 1 2 423.303 6.241 50 0 HKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3ccccc3F)cc12 ZINC000020532855 568628704 /nfs/dbraw/zinc/62/87/04/568628704.db2.gz MMAKQPDTFZRXPC-UHFFFAOYSA-N 1 2 405.860 6.332 50 0 HKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3cccc(Cl)c3)cc12 ZINC000020532856 568628554 /nfs/dbraw/zinc/62/85/54/568628554.db2.gz MGDOVEHXJUKNDZ-UHFFFAOYSA-N 1 2 422.315 6.846 50 0 HKAALO Cc1cc(Nc2cccc(Cl)c2)[nH+]c2ccc(NC(=O)c3ccc(F)cc3)cc12 ZINC000020532857 568628515 /nfs/dbraw/zinc/62/85/15/568628515.db2.gz SECWKPUFVAEPEY-UHFFFAOYSA-N 1 2 405.860 6.332 50 0 HKAALO COc1ccc(-c2nc(C[N@@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c(C)c1C ZINC000020540318 523205210 /nfs/dbraw/zinc/20/52/10/523205210.db2.gz HONLKYMYYIDVKT-UHFFFAOYSA-N 1 2 422.525 5.069 50 0 HKAALO COc1ccc(-c2nc(C[N@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c(C)c1C ZINC000020540318 523205220 /nfs/dbraw/zinc/20/52/20/523205220.db2.gz HONLKYMYYIDVKT-UHFFFAOYSA-N 1 2 422.525 5.069 50 0 HKAALO CC[N@H+](CCCNc1ncnc2onc(-c3ccc(F)cc3)c21)c1cccc(C)c1 ZINC000020574441 521025298 /nfs/dbraw/zinc/02/52/98/521025298.db2.gz VLJDBVGVPHEJCX-UHFFFAOYSA-N 1 2 405.477 5.061 50 0 HKAALO CC[N@@H+](CCCNc1ncnc2onc(-c3ccc(F)cc3)c21)c1cccc(C)c1 ZINC000020574441 521025301 /nfs/dbraw/zinc/02/53/01/521025301.db2.gz VLJDBVGVPHEJCX-UHFFFAOYSA-N 1 2 405.477 5.061 50 0 HKAALO Cc1c(C)c(=O)oc2c1ccc1c2C[N@@H+](CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610038 568636642 /nfs/dbraw/zinc/63/66/42/568636642.db2.gz XMAYVBTUIZSCIS-UHFFFAOYSA-N 1 2 411.501 5.394 50 0 biogenic HKAALO Cc1c(C)c(=O)oc2c1ccc1c2C[N@H+](CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610038 568636646 /nfs/dbraw/zinc/63/66/46/568636646.db2.gz XMAYVBTUIZSCIS-UHFFFAOYSA-N 1 2 411.501 5.394 50 0 biogenic HKAALO CCc1cc(=O)oc2c1ccc1c2C[N@H+](CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610054 568636680 /nfs/dbraw/zinc/63/66/80/568636680.db2.gz MLGFXNZEMSMMGD-UHFFFAOYSA-N 1 2 411.501 5.339 50 0 biogenic HKAALO CCc1cc(=O)oc2c1ccc1c2C[N@@H+](CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610054 568636684 /nfs/dbraw/zinc/63/66/84/568636684.db2.gz MLGFXNZEMSMMGD-UHFFFAOYSA-N 1 2 411.501 5.339 50 0 biogenic HKAALO Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C[N@H+](C[C@H](C)c1ccccc1)CO2 ZINC000020610389 568636943 /nfs/dbraw/zinc/63/69/43/568636943.db2.gz UPLOAVXAHJOQJB-SFHVURJKSA-N 1 2 411.501 5.724 50 0 biogenic HKAALO Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C[N@@H+](C[C@H](C)c1ccccc1)CO2 ZINC000020610389 568636946 /nfs/dbraw/zinc/63/69/46/568636946.db2.gz UPLOAVXAHJOQJB-SFHVURJKSA-N 1 2 411.501 5.724 50 0 biogenic HKAALO Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C[N@H+](C[C@@H](C)c1ccccc1)CO2 ZINC000020610391 568637201 /nfs/dbraw/zinc/63/72/01/568637201.db2.gz UPLOAVXAHJOQJB-GOSISDBHSA-N 1 2 411.501 5.724 50 0 biogenic HKAALO Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C[N@@H+](C[C@@H](C)c1ccccc1)CO2 ZINC000020610391 568637202 /nfs/dbraw/zinc/63/72/02/568637202.db2.gz UPLOAVXAHJOQJB-GOSISDBHSA-N 1 2 411.501 5.724 50 0 biogenic HKAALO COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000020676579 568639858 /nfs/dbraw/zinc/63/98/58/568639858.db2.gz DDTOVROQNYYCES-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccc(C)cc1 ZINC000020676579 568639859 /nfs/dbraw/zinc/63/98/59/568639859.db2.gz DDTOVROQNYYCES-SANMLTNESA-N 1 2 404.529 5.549 50 0 HKAALO C[N@@H+](Cc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000020686691 558400691 /nfs/dbraw/zinc/40/06/91/558400691.db2.gz MUFIVWCCXBIDOZ-UHFFFAOYSA-N 1 2 413.905 5.076 50 0 HKAALO C[N@H+](Cc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000020686691 558400694 /nfs/dbraw/zinc/40/06/94/558400694.db2.gz MUFIVWCCXBIDOZ-UHFFFAOYSA-N 1 2 413.905 5.076 50 0 HKAALO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785290 558413487 /nfs/dbraw/zinc/41/34/87/558413487.db2.gz DJXRSSMCEHZUTC-GOSISDBHSA-N 1 2 410.539 5.205 50 0 HKAALO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785290 558413488 /nfs/dbraw/zinc/41/34/88/558413488.db2.gz DJXRSSMCEHZUTC-GOSISDBHSA-N 1 2 410.539 5.205 50 0 HKAALO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785294 558413515 /nfs/dbraw/zinc/41/35/15/558413515.db2.gz DJXRSSMCEHZUTC-SFHVURJKSA-N 1 2 410.539 5.205 50 0 HKAALO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785294 558413517 /nfs/dbraw/zinc/41/35/17/558413517.db2.gz DJXRSSMCEHZUTC-SFHVURJKSA-N 1 2 410.539 5.205 50 0 HKAALO Nc1nc(SCc2ccccc2)nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020813221 558416434 /nfs/dbraw/zinc/41/64/34/558416434.db2.gz FPVOUZPPQMUNLM-UHFFFAOYSA-N 1 2 418.591 5.124 50 0 HKAALO Nc1nc(SCc2ccccc2)nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020813221 558416437 /nfs/dbraw/zinc/41/64/37/558416437.db2.gz FPVOUZPPQMUNLM-UHFFFAOYSA-N 1 2 418.591 5.124 50 0 HKAALO Cc1ccccc1CN1c2ccccc2[N@@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000020841723 558417403 /nfs/dbraw/zinc/41/74/03/558417403.db2.gz HQURADBGCHNJFE-UHFFFAOYSA-N 1 2 424.331 5.469 50 0 HKAALO Cc1ccccc1CN1c2ccccc2[N@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000020841723 558417405 /nfs/dbraw/zinc/41/74/05/558417405.db2.gz HQURADBGCHNJFE-UHFFFAOYSA-N 1 2 424.331 5.469 50 0 HKAALO Cc1cc(C)nc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)n1 ZINC000020865989 558417861 /nfs/dbraw/zinc/41/78/61/558417861.db2.gz LTJPFMPAPVACFS-UHFFFAOYSA-N 1 2 421.907 5.028 50 0 HKAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3cccnc32)c1 ZINC000020907815 558421343 /nfs/dbraw/zinc/42/13/43/558421343.db2.gz CBDKDBMMYZFYRI-MHZLTWQESA-N 1 2 405.501 5.569 50 0 HKAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3cccnc32)c1 ZINC000020907815 558421344 /nfs/dbraw/zinc/42/13/44/558421344.db2.gz CBDKDBMMYZFYRI-MHZLTWQESA-N 1 2 405.501 5.569 50 0 HKAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3cccnc32)c1 ZINC000020907818 558421337 /nfs/dbraw/zinc/42/13/37/558421337.db2.gz CBDKDBMMYZFYRI-HHHXNRCGSA-N 1 2 405.501 5.569 50 0 HKAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3cccnc32)c1 ZINC000020907818 558421338 /nfs/dbraw/zinc/42/13/38/558421338.db2.gz CBDKDBMMYZFYRI-HHHXNRCGSA-N 1 2 405.501 5.569 50 0 HKAALO COc1ccc(NC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1OC ZINC000021357602 568688158 /nfs/dbraw/zinc/68/81/58/568688158.db2.gz PUMGHNCHEKHJIS-UHFFFAOYSA-N 1 2 416.481 5.009 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000021357607 568688309 /nfs/dbraw/zinc/68/83/09/568688309.db2.gz JJNSMYZNSWDRKS-UHFFFAOYSA-N 1 2 420.900 5.654 50 0 HKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000021357632 568688709 /nfs/dbraw/zinc/68/87/09/568688709.db2.gz OJYJCJWYZIYDKQ-UHFFFAOYSA-N 1 2 424.426 6.011 50 0 HKAALO CCn1c(CCc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)[nH+]c2ccccc21 ZINC000021357657 568688546 /nfs/dbraw/zinc/68/85/46/568688546.db2.gz WGWWUCLDHYQANJ-UHFFFAOYSA-N 1 2 414.509 5.494 50 0 HKAALO CC(=O)c1cccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000021357675 568688699 /nfs/dbraw/zinc/68/86/99/568688699.db2.gz MHBUMRIKUYTGPE-UHFFFAOYSA-N 1 2 412.493 5.205 50 0 HKAALO Cn1c(CCc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)[nH+]c2ccccc21 ZINC000021357679 568688633 /nfs/dbraw/zinc/68/86/33/568688633.db2.gz VABKHQJNYFWKTR-UHFFFAOYSA-N 1 2 422.891 5.795 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000021357690 568688752 /nfs/dbraw/zinc/68/87/52/568688752.db2.gz YZAWDMSJPYLBQW-UHFFFAOYSA-N 1 2 406.436 5.281 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000021357730 568688603 /nfs/dbraw/zinc/68/86/03/568688603.db2.gz CDEJFOZNLAULAX-UHFFFAOYSA-N 1 2 406.436 5.281 50 0 HKAALO CSc1cccc(NC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000021357759 568688540 /nfs/dbraw/zinc/68/85/40/568688540.db2.gz QQTHFTYGNCFNCI-UHFFFAOYSA-N 1 2 416.550 5.724 50 0 HKAALO CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000021486912 568704104 /nfs/dbraw/zinc/70/41/04/568704104.db2.gz JLTUNGLESXPLKI-QFIPXVFZSA-N 1 2 416.005 6.062 50 0 HKAALO CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000021486913 568704206 /nfs/dbraw/zinc/70/42/06/568704206.db2.gz JLTUNGLESXPLKI-JOCHJYFZSA-N 1 2 416.005 6.062 50 0 HKAALO CCOc1ccc(NC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000021704895 568743441 /nfs/dbraw/zinc/74/34/41/568743441.db2.gz OFWRKVRUDDTBJC-UHFFFAOYSA-N 1 2 400.482 5.391 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021704898 568743395 /nfs/dbraw/zinc/74/33/95/568743395.db2.gz NFPSXAKTUUUVRS-UHFFFAOYSA-N 1 2 404.901 5.954 50 0 HKAALO CCOc1ccccc1NC(=O)Nc1ccc(CCc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000021704930 568743423 /nfs/dbraw/zinc/74/34/23/568743423.db2.gz XHXJCVWIAPRWCW-UHFFFAOYSA-N 1 2 414.509 5.699 50 0 HKAALO CCOc1ccccc1NC(=O)Nc1ccc(CCc2[nH]c3cc(C)ccc3[nH+]2)cc1 ZINC000021704930 568743424 /nfs/dbraw/zinc/74/34/24/568743424.db2.gz XHXJCVWIAPRWCW-UHFFFAOYSA-N 1 2 414.509 5.699 50 0 HKAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719848 558446692 /nfs/dbraw/zinc/44/66/92/558446692.db2.gz SNHKMHQVBFWGLF-GOSISDBHSA-N 1 2 412.452 5.223 50 0 HKAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719848 558446694 /nfs/dbraw/zinc/44/66/94/558446694.db2.gz SNHKMHQVBFWGLF-GOSISDBHSA-N 1 2 412.452 5.223 50 0 HKAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719851 558446735 /nfs/dbraw/zinc/44/67/35/558446735.db2.gz SNHKMHQVBFWGLF-SFHVURJKSA-N 1 2 412.452 5.223 50 0 HKAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719851 558446737 /nfs/dbraw/zinc/44/67/37/558446737.db2.gz SNHKMHQVBFWGLF-SFHVURJKSA-N 1 2 412.452 5.223 50 0 HKAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719975 558446760 /nfs/dbraw/zinc/44/67/60/558446760.db2.gz KNZGOZOIVMCEIY-SFHVURJKSA-N 1 2 415.335 5.288 50 0 HKAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719975 558446763 /nfs/dbraw/zinc/44/67/63/558446763.db2.gz KNZGOZOIVMCEIY-SFHVURJKSA-N 1 2 415.335 5.288 50 0 HKAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719977 558446704 /nfs/dbraw/zinc/44/67/04/558446704.db2.gz KNZGOZOIVMCEIY-GOSISDBHSA-N 1 2 415.335 5.288 50 0 HKAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719977 558446706 /nfs/dbraw/zinc/44/67/06/558446706.db2.gz KNZGOZOIVMCEIY-GOSISDBHSA-N 1 2 415.335 5.288 50 0 HKAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)no2)cc1 ZINC000021724129 568751023 /nfs/dbraw/zinc/75/10/23/568751023.db2.gz XMFKJQNPWZWPJB-UHFFFAOYSA-N 1 2 418.541 5.019 50 0 HKAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724514 568751342 /nfs/dbraw/zinc/75/13/42/568751342.db2.gz GEXZJPBBLQHQDS-OAQYLSRUSA-N 1 2 418.541 5.019 50 0 HKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724514 568751343 /nfs/dbraw/zinc/75/13/43/568751343.db2.gz GEXZJPBBLQHQDS-OAQYLSRUSA-N 1 2 418.541 5.019 50 0 HKAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724518 568751220 /nfs/dbraw/zinc/75/12/20/568751220.db2.gz GEXZJPBBLQHQDS-NRFANRHFSA-N 1 2 418.541 5.019 50 0 HKAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724518 568751221 /nfs/dbraw/zinc/75/12/21/568751221.db2.gz GEXZJPBBLQHQDS-NRFANRHFSA-N 1 2 418.541 5.019 50 0 HKAALO Brc1ccc([C@@H]([NH2+]Cc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021777234 568752351 /nfs/dbraw/zinc/75/23/51/568752351.db2.gz ZKAYHQBHFGPVOE-HXUWFJFHSA-N 1 2 420.310 5.378 50 0 HKAALO Brc1ccc([C@H]([NH2+]Cc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021777239 568752255 /nfs/dbraw/zinc/75/22/55/568752255.db2.gz ZKAYHQBHFGPVOE-FQEVSTJZSA-N 1 2 420.310 5.378 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)[nH+]2)cc1 ZINC000021794545 568753424 /nfs/dbraw/zinc/75/34/24/568753424.db2.gz GFBOODOQLGFAMI-UHFFFAOYSA-N 1 2 409.493 5.833 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4)cc3)[nH+]c(C)n2)cc1 ZINC000021794545 568753425 /nfs/dbraw/zinc/75/34/25/568753425.db2.gz GFBOODOQLGFAMI-UHFFFAOYSA-N 1 2 409.493 5.833 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccs4)cc3)nc(C)[nH+]2)cc1 ZINC000021794569 568753446 /nfs/dbraw/zinc/75/34/46/568753446.db2.gz VCFLEAVPLXUIKZ-UHFFFAOYSA-N 1 2 415.522 5.894 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccs4)cc3)[nH+]c(C)n2)cc1 ZINC000021794569 568753447 /nfs/dbraw/zinc/75/34/47/568753447.db2.gz VCFLEAVPLXUIKZ-UHFFFAOYSA-N 1 2 415.522 5.894 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)nc(C)[nH+]2)cc1 ZINC000021795627 568753754 /nfs/dbraw/zinc/75/37/54/568753754.db2.gz PAHYJILONHXFEG-UHFFFAOYSA-N 1 2 424.508 6.225 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)[nH+]c(C)n2)cc1 ZINC000021795627 568753755 /nfs/dbraw/zinc/75/37/55/568753755.db2.gz PAHYJILONHXFEG-UHFFFAOYSA-N 1 2 424.508 6.225 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021798000 558449836 /nfs/dbraw/zinc/44/98/36/558449836.db2.gz ICYKPQKMIUZJLY-UHFFFAOYSA-N 1 2 406.489 6.148 50 0 HKAALO CCOc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021798005 558449925 /nfs/dbraw/zinc/44/99/25/558449925.db2.gz NLRMCFQWIURMQG-UHFFFAOYSA-N 1 2 420.516 6.538 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)cc1 ZINC000021798203 558449793 /nfs/dbraw/zinc/44/97/93/558449793.db2.gz NSSOCULJKXLDMR-UHFFFAOYSA-N 1 2 422.488 5.848 50 0 HKAALO O=C(c1ccccc1SCc1cccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929704 558455888 /nfs/dbraw/zinc/45/58/88/558455888.db2.gz PLORVWYACWLWNW-UHFFFAOYSA-N 1 2 414.621 5.060 50 0 HKAALO O=C(c1ccccc1SCc1ccsc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929813 558455967 /nfs/dbraw/zinc/45/59/67/558455967.db2.gz RRLMEXMVWJNXQH-UHFFFAOYSA-N 1 2 414.621 5.060 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccccc1F)CC2 ZINC000022023174 558458519 /nfs/dbraw/zinc/45/85/19/558458519.db2.gz GVPVIIHKTDPRGV-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1F)CC2 ZINC000022023174 558458521 /nfs/dbraw/zinc/45/85/21/558458521.db2.gz GVPVIIHKTDPRGV-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccccc1F)CC2 ZINC000022023175 558458611 /nfs/dbraw/zinc/45/86/11/558458611.db2.gz GVPVIIHKTDPRGV-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1F)CC2 ZINC000022023175 558458612 /nfs/dbraw/zinc/45/86/12/558458612.db2.gz GVPVIIHKTDPRGV-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(O)c1)CC2 ZINC000022023246 558458658 /nfs/dbraw/zinc/45/86/58/558458658.db2.gz PDGYCJFWVCZYMI-DEOSSOPVSA-N 1 2 409.913 5.211 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(O)c1)CC2 ZINC000022023246 558458660 /nfs/dbraw/zinc/45/86/60/558458660.db2.gz PDGYCJFWVCZYMI-DEOSSOPVSA-N 1 2 409.913 5.211 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(O)c1)CC2 ZINC000022023247 558458549 /nfs/dbraw/zinc/45/85/49/558458549.db2.gz PDGYCJFWVCZYMI-XMMPIXPASA-N 1 2 409.913 5.211 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(O)c1)CC2 ZINC000022023247 558458552 /nfs/dbraw/zinc/45/85/52/558458552.db2.gz PDGYCJFWVCZYMI-XMMPIXPASA-N 1 2 409.913 5.211 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000022023278 558458650 /nfs/dbraw/zinc/45/86/50/558458650.db2.gz COSRHOGHNKEADR-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000022023278 558458653 /nfs/dbraw/zinc/45/86/53/558458653.db2.gz COSRHOGHNKEADR-DEOSSOPVSA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000022023279 558458576 /nfs/dbraw/zinc/45/85/76/558458576.db2.gz COSRHOGHNKEADR-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000022023279 558458578 /nfs/dbraw/zinc/45/85/78/558458578.db2.gz COSRHOGHNKEADR-XMMPIXPASA-N 1 2 411.904 5.644 50 0 HKAALO C[N@H+](Cc1cc(-c2ccc(Cl)cc2Cl)no1)Cc1nc2ccccc2s1 ZINC000022190105 558465667 /nfs/dbraw/zinc/46/56/67/558465667.db2.gz KPJFCKNXYRTERD-UHFFFAOYSA-N 1 2 404.322 5.890 50 0 HKAALO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2Cl)no1)Cc1nc2ccccc2s1 ZINC000022190105 558465668 /nfs/dbraw/zinc/46/56/68/558465668.db2.gz KPJFCKNXYRTERD-UHFFFAOYSA-N 1 2 404.322 5.890 50 0 HKAALO CCOc1ccccc1-c1noc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000022242267 558471935 /nfs/dbraw/zinc/47/19/35/558471935.db2.gz DHZANPVVDRBSPZ-OAQYLSRUSA-N 1 2 423.563 5.406 50 0 HKAALO CCOc1ccccc1-c1noc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000022242267 558471937 /nfs/dbraw/zinc/47/19/37/558471937.db2.gz DHZANPVVDRBSPZ-OAQYLSRUSA-N 1 2 423.563 5.406 50 0 HKAALO CCOc1ccccc1-c1noc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000022242269 558471864 /nfs/dbraw/zinc/47/18/64/558471864.db2.gz DHZANPVVDRBSPZ-NRFANRHFSA-N 1 2 423.563 5.406 50 0 HKAALO CCOc1ccccc1-c1noc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000022242269 558471866 /nfs/dbraw/zinc/47/18/66/558471866.db2.gz DHZANPVVDRBSPZ-NRFANRHFSA-N 1 2 423.563 5.406 50 0 HKAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl ZINC000022289512 568766154 /nfs/dbraw/zinc/76/61/54/568766154.db2.gz YGFSGHGZOPFJGX-UHFFFAOYSA-N 1 2 409.939 5.389 50 0 HKAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022289792 558476536 /nfs/dbraw/zinc/47/65/36/558476536.db2.gz KZLLBXUNXAPVIG-UHFFFAOYSA-N 1 2 401.532 5.249 50 0 HKAALO O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290288 558476547 /nfs/dbraw/zinc/47/65/47/558476547.db2.gz SZLRHKAFLKPGKW-UHFFFAOYSA-N 1 2 413.518 5.099 50 0 HKAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374001 558484295 /nfs/dbraw/zinc/48/42/95/558484295.db2.gz PEDOBNXDLNEGIM-RUZDIDTESA-N 1 2 414.505 5.241 50 0 HKAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374001 558484297 /nfs/dbraw/zinc/48/42/97/558484297.db2.gz PEDOBNXDLNEGIM-RUZDIDTESA-N 1 2 414.505 5.241 50 0 HKAALO COc1ccc(C[N@H+](C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374007 558484331 /nfs/dbraw/zinc/48/43/31/558484331.db2.gz PEDOBNXDLNEGIM-VWLOTQADSA-N 1 2 414.505 5.241 50 0 HKAALO COc1ccc(C[N@@H+](C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374007 558484334 /nfs/dbraw/zinc/48/43/34/558484334.db2.gz PEDOBNXDLNEGIM-VWLOTQADSA-N 1 2 414.505 5.241 50 0 HKAALO COc1cccc(C[N@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374012 558484323 /nfs/dbraw/zinc/48/43/23/558484323.db2.gz DZINHKXVYNZSME-XMMPIXPASA-N 1 2 414.505 5.241 50 0 HKAALO COc1cccc(C[N@@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374012 558484325 /nfs/dbraw/zinc/48/43/25/558484325.db2.gz DZINHKXVYNZSME-XMMPIXPASA-N 1 2 414.505 5.241 50 0 HKAALO COc1cccc(C[N@H+](C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374018 558484357 /nfs/dbraw/zinc/48/43/57/558484357.db2.gz DZINHKXVYNZSME-DEOSSOPVSA-N 1 2 414.505 5.241 50 0 HKAALO COc1cccc(C[N@@H+](C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374018 558484358 /nfs/dbraw/zinc/48/43/58/558484358.db2.gz DZINHKXVYNZSME-DEOSSOPVSA-N 1 2 414.505 5.241 50 0 HKAALO Cc1ccc(NC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022468717 568768354 /nfs/dbraw/zinc/76/83/54/568768354.db2.gz HBFJIUOAFAPGAL-UHFFFAOYSA-N 1 2 421.491 5.212 50 0 HKAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)cc4Cl)c3)[nH+]c12 ZINC000022475147 558491872 /nfs/dbraw/zinc/49/18/72/558491872.db2.gz QJJUIVBNWHRLQW-UHFFFAOYSA-N 1 2 409.848 5.267 50 0 HKAALO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000022514887 558493701 /nfs/dbraw/zinc/49/37/01/558493701.db2.gz MVHGIHQPIQBEGW-UHFFFAOYSA-N 1 2 403.473 5.151 50 0 HKAALO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C2CCC(C)CC2)CC1 ZINC000022630839 557297388 /nfs/dbraw/zinc/29/73/88/557297388.db2.gz LATMFWYQHFMUFU-UHFFFAOYSA-N 1 2 407.480 5.353 50 0 HKAALO O=C(CCC1CCCC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022631627 558503627 /nfs/dbraw/zinc/50/36/27/558503627.db2.gz AYZWJFVXOQZOID-VWLOTQADSA-N 1 2 410.989 5.544 50 0 HKAALO O=C(CCC1CCCC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022631632 558503612 /nfs/dbraw/zinc/50/36/12/558503612.db2.gz AYZWJFVXOQZOID-RUZDIDTESA-N 1 2 410.989 5.544 50 0 HKAALO O=C(CCC1CCCC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022637482 557314606 /nfs/dbraw/zinc/31/46/06/557314606.db2.gz HABCWWFOLMQUPT-UHFFFAOYSA-N 1 2 412.524 5.169 50 0 HKAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766063 526581971 /nfs/dbraw/zinc/58/19/71/526581971.db2.gz LQIRNQQRFRSOSE-HXUWFJFHSA-N 1 2 414.933 5.070 50 0 HKAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766063 526581974 /nfs/dbraw/zinc/58/19/74/526581974.db2.gz LQIRNQQRFRSOSE-HXUWFJFHSA-N 1 2 414.933 5.070 50 0 HKAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766067 526494238 /nfs/dbraw/zinc/49/42/38/526494238.db2.gz LQIRNQQRFRSOSE-FQEVSTJZSA-N 1 2 414.933 5.070 50 0 HKAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766067 526494244 /nfs/dbraw/zinc/49/42/44/526494244.db2.gz LQIRNQQRFRSOSE-FQEVSTJZSA-N 1 2 414.933 5.070 50 0 HKAALO Fc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c(Cl)c1 ZINC000022819565 558514582 /nfs/dbraw/zinc/51/45/82/558514582.db2.gz XYVNSWRTWVFFOC-UHFFFAOYSA-N 1 2 416.953 5.007 50 0 HKAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000022851276 558516808 /nfs/dbraw/zinc/51/68/08/558516808.db2.gz JYYXJMYNOQHEOM-UHFFFAOYSA-N 1 2 424.548 5.030 50 0 HKAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000022864145 557843413 /nfs/dbraw/zinc/84/34/13/557843413.db2.gz SMANXXCATUTDDT-DAXSKMNVSA-N 1 2 404.504 5.385 50 0 HKAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000022907111 557852878 /nfs/dbraw/zinc/85/28/78/557852878.db2.gz DEWIUYFZXUENJX-HXUWFJFHSA-N 1 2 415.320 5.116 50 0 HKAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000022907111 557852880 /nfs/dbraw/zinc/85/28/80/557852880.db2.gz DEWIUYFZXUENJX-HXUWFJFHSA-N 1 2 415.320 5.116 50 0 HKAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000022907115 557852866 /nfs/dbraw/zinc/85/28/66/557852866.db2.gz DEWIUYFZXUENJX-FQEVSTJZSA-N 1 2 415.320 5.116 50 0 HKAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000022907115 557852868 /nfs/dbraw/zinc/85/28/68/557852868.db2.gz DEWIUYFZXUENJX-FQEVSTJZSA-N 1 2 415.320 5.116 50 0 HKAALO Clc1ccc(-c2csc3ncnc(NCc4ccc(-n5cc[nH+]c5)nc4)c23)cc1 ZINC000023081041 558533806 /nfs/dbraw/zinc/53/38/06/558533806.db2.gz ALPOOYSGYMCQNJ-UHFFFAOYSA-N 1 2 418.913 5.205 50 0 HKAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3nccnc23)c1 ZINC000023129065 558536640 /nfs/dbraw/zinc/53/66/40/558536640.db2.gz QAPHPDZQAYBJOE-MHZLTWQESA-N 1 2 420.516 5.267 50 0 HKAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3nccnc23)c1 ZINC000023129065 558536641 /nfs/dbraw/zinc/53/66/41/558536641.db2.gz QAPHPDZQAYBJOE-MHZLTWQESA-N 1 2 420.516 5.267 50 0 HKAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3nccnc23)c1 ZINC000023129066 558536628 /nfs/dbraw/zinc/53/66/28/558536628.db2.gz QAPHPDZQAYBJOE-HHHXNRCGSA-N 1 2 420.516 5.267 50 0 HKAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3nccnc23)c1 ZINC000023129066 558536629 /nfs/dbraw/zinc/53/66/29/558536629.db2.gz QAPHPDZQAYBJOE-HHHXNRCGSA-N 1 2 420.516 5.267 50 0 HKAALO COc1ccc(-c2nnc(C[N@H+](C)[C@@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 ZINC000023238187 558544854 /nfs/dbraw/zinc/54/48/54/558544854.db2.gz RQGMVAWQHAYDAE-QHCPKHFHSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2nnc(C[N@@H+](C)[C@@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 ZINC000023238187 558544857 /nfs/dbraw/zinc/54/48/57/558544857.db2.gz RQGMVAWQHAYDAE-QHCPKHFHSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2nnc(C[N@H+](C)[C@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 ZINC000023238189 558544786 /nfs/dbraw/zinc/54/47/86/558544786.db2.gz RQGMVAWQHAYDAE-HSZRJFAPSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2nnc(C[N@@H+](C)[C@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 ZINC000023238189 558544788 /nfs/dbraw/zinc/54/47/88/558544788.db2.gz RQGMVAWQHAYDAE-HSZRJFAPSA-N 1 2 403.457 5.106 50 0 HKAALO O=C(Nc1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023312017 559115234 /nfs/dbraw/zinc/11/52/34/559115234.db2.gz YUJHCLATNJIPQZ-QHCPKHFHSA-N 1 2 405.929 5.279 50 0 HKAALO O=C(Nc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023312021 559115202 /nfs/dbraw/zinc/11/52/02/559115202.db2.gz YUJHCLATNJIPQZ-HSZRJFAPSA-N 1 2 405.929 5.279 50 0 HKAALO Cc1cccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023316956 559117211 /nfs/dbraw/zinc/11/72/11/559117211.db2.gz VPPKYIANPPGQQV-DEOSSOPVSA-N 1 2 404.941 5.196 50 0 HKAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023316959 559117277 /nfs/dbraw/zinc/11/72/77/559117277.db2.gz VPPKYIANPPGQQV-XMMPIXPASA-N 1 2 404.941 5.196 50 0 HKAALO Cc1ccccc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023317699 559117513 /nfs/dbraw/zinc/11/75/13/559117513.db2.gz ILXYDKRUWFGFGZ-DEOSSOPVSA-N 1 2 404.941 5.196 50 0 HKAALO Cc1ccccc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023317702 559117583 /nfs/dbraw/zinc/11/75/83/559117583.db2.gz ILXYDKRUWFGFGZ-XMMPIXPASA-N 1 2 404.941 5.196 50 0 HKAALO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023317956 559117670 /nfs/dbraw/zinc/11/76/70/559117670.db2.gz IQHRMRMNVRGBCN-QHCPKHFHSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023317959 559117678 /nfs/dbraw/zinc/11/76/78/559117678.db2.gz IQHRMRMNVRGBCN-HSZRJFAPSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccc(F)cc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318510 559125589 /nfs/dbraw/zinc/12/55/89/559125589.db2.gz BPPCJMPGFQQJNS-QHCPKHFHSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccc(F)cc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318513 559125638 /nfs/dbraw/zinc/12/56/38/559125638.db2.gz BPPCJMPGFQQJNS-HSZRJFAPSA-N 1 2 408.904 5.027 50 0 HKAALO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023319335 559125672 /nfs/dbraw/zinc/12/56/72/559125672.db2.gz TZMNJKKHTYRWKZ-DEOSSOPVSA-N 1 2 419.956 5.588 50 0 HKAALO Cc1cccc(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023319338 559125704 /nfs/dbraw/zinc/12/57/04/559125704.db2.gz TZMNJKKHTYRWKZ-XMMPIXPASA-N 1 2 419.956 5.588 50 0 HKAALO Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320084 559125819 /nfs/dbraw/zinc/12/58/19/559125819.db2.gz DOHPSFYTJCMAIO-DEOSSOPVSA-N 1 2 419.956 5.588 50 0 HKAALO Cc1ccccc1NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320087 559125777 /nfs/dbraw/zinc/12/57/77/559125777.db2.gz DOHPSFYTJCMAIO-XMMPIXPASA-N 1 2 419.956 5.588 50 0 HKAALO O=C(c1ccccc1F)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320109 559125822 /nfs/dbraw/zinc/12/58/22/559125822.db2.gz BCYKKNPJDIRMLV-QHCPKHFHSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccccc1F)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320112 559125826 /nfs/dbraw/zinc/12/58/26/559125826.db2.gz BCYKKNPJDIRMLV-HSZRJFAPSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccccc1Cl)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320345 559125898 /nfs/dbraw/zinc/12/58/98/559125898.db2.gz CTMPVSBLPUXOKN-QHCPKHFHSA-N 1 2 408.904 5.027 50 0 HKAALO O=C(c1ccccc1Cl)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320348 559125938 /nfs/dbraw/zinc/12/59/38/559125938.db2.gz CTMPVSBLPUXOKN-HSZRJFAPSA-N 1 2 408.904 5.027 50 0 HKAALO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1F ZINC000023322309 559134102 /nfs/dbraw/zinc/13/41/02/559134102.db2.gz SKZGHTNPKNAKOH-DEOSSOPVSA-N 1 2 421.491 5.212 50 0 HKAALO Cc1ccc(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1F ZINC000023322312 559134233 /nfs/dbraw/zinc/13/42/33/559134233.db2.gz SKZGHTNPKNAKOH-XMMPIXPASA-N 1 2 421.491 5.212 50 0 HKAALO Cc1ccc(F)c(NC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023323384 559146539 /nfs/dbraw/zinc/14/65/39/559146539.db2.gz CZUUREGGUYXMEP-DEOSSOPVSA-N 1 2 421.491 5.212 50 0 HKAALO Cc1ccc(F)c(NC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023323386 559146534 /nfs/dbraw/zinc/14/65/34/559146534.db2.gz CZUUREGGUYXMEP-XMMPIXPASA-N 1 2 421.491 5.212 50 0 HKAALO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000023323775 559147757 /nfs/dbraw/zinc/14/77/57/559147757.db2.gz XZXVEVRNBNWEFI-UHFFFAOYSA-N 1 2 419.422 5.288 50 0 HKAALO Cc1ccccc1NC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023323882 558549010 /nfs/dbraw/zinc/54/90/10/558549010.db2.gz MHJVGXVBNVHZBN-UHFFFAOYSA-N 1 2 421.491 5.212 50 0 HKAALO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023328493 559166774 /nfs/dbraw/zinc/16/67/74/559166774.db2.gz SUTLCGXRSLZRMD-DEOSSOPVSA-N 1 2 422.931 5.335 50 0 HKAALO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023328496 559166737 /nfs/dbraw/zinc/16/67/37/559166737.db2.gz SUTLCGXRSLZRMD-XMMPIXPASA-N 1 2 422.931 5.335 50 0 HKAALO CCOC(=O)c1ccc(-n2c[nH+]c3cc(C)c(C)cc32)c(NC(=O)CC2CCCC2)c1 ZINC000023334810 559172788 /nfs/dbraw/zinc/17/27/88/559172788.db2.gz SITNUQPNTWPUKX-UHFFFAOYSA-N 1 2 419.525 5.338 50 0 HKAALO Cc1c[nH]c(C[N@@H+](C)Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)n1 ZINC000023338915 558550380 /nfs/dbraw/zinc/55/03/80/558550380.db2.gz RRDSOBWWAVVYPA-UHFFFAOYSA-N 1 2 409.534 5.020 50 0 HKAALO Cc1c[nH]c(C[N@H+](C)Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)n1 ZINC000023338915 558550382 /nfs/dbraw/zinc/55/03/82/558550382.db2.gz RRDSOBWWAVVYPA-UHFFFAOYSA-N 1 2 409.534 5.020 50 0 HKAALO Cc1c[nH]c(CN(C)Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)[nH+]1 ZINC000023338915 558550386 /nfs/dbraw/zinc/55/03/86/558550386.db2.gz RRDSOBWWAVVYPA-UHFFFAOYSA-N 1 2 409.534 5.020 50 0 HKAALO Clc1ccc(-c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000023446015 559175203 /nfs/dbraw/zinc/17/52/03/559175203.db2.gz MBDNCQUZEPOYQP-UHFFFAOYSA-N 1 2 404.966 6.666 50 0 HKAALO O=C(c1cccc2ccccc21)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023451432 559174792 /nfs/dbraw/zinc/17/47/92/559174792.db2.gz XMVIOFZUBOMHEL-MHZLTWQESA-N 1 2 424.519 5.526 50 0 HKAALO O=C(c1cccc2ccccc21)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023451433 559174761 /nfs/dbraw/zinc/17/47/61/559174761.db2.gz XMVIOFZUBOMHEL-HHHXNRCGSA-N 1 2 424.519 5.526 50 0 HKAALO CCCn1c(C)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2cc(OC)ccc21 ZINC000023565204 558562655 /nfs/dbraw/zinc/56/26/55/558562655.db2.gz LIBVSMQGVSEYBI-KRWDZBQOSA-N 1 2 416.525 5.045 50 0 HKAALO CCCn1c(C)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2cc(OC)ccc21 ZINC000023565208 558562646 /nfs/dbraw/zinc/56/26/46/558562646.db2.gz LIBVSMQGVSEYBI-QGZVFWFLSA-N 1 2 416.525 5.045 50 0 HKAALO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000023607834 558563483 /nfs/dbraw/zinc/56/34/83/558563483.db2.gz IYARRLASVXRVMS-UHFFFAOYSA-N 1 2 417.456 5.069 50 0 HKAALO C[N@H+]1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000023607834 558563486 /nfs/dbraw/zinc/56/34/86/558563486.db2.gz IYARRLASVXRVMS-UHFFFAOYSA-N 1 2 417.456 5.069 50 0 HKAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2ccc(Cl)s2)o1 ZINC000023706621 558568765 /nfs/dbraw/zinc/56/87/65/558568765.db2.gz HETUWLBECLIXPI-UHFFFAOYSA-N 1 2 400.891 5.047 50 0 HKAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2ccc(Cl)s2)o1 ZINC000023706621 558568767 /nfs/dbraw/zinc/56/87/67/558568767.db2.gz HETUWLBECLIXPI-UHFFFAOYSA-N 1 2 400.891 5.047 50 0 HKAALO Cc1sc2[nH]c(C[N@@H+](C)Cc3cccc(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023816599 526891240 /nfs/dbraw/zinc/89/12/40/526891240.db2.gz QXQXYLVQJBDYMF-UHFFFAOYSA-N 1 2 407.514 5.040 50 0 HKAALO Cc1sc2[nH]c(C[N@H+](C)Cc3cccc(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023816599 526891244 /nfs/dbraw/zinc/89/12/44/526891244.db2.gz QXQXYLVQJBDYMF-UHFFFAOYSA-N 1 2 407.514 5.040 50 0 HKAALO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023818640 558577050 /nfs/dbraw/zinc/57/70/50/558577050.db2.gz TXBMOLFCCSEYLJ-UHFFFAOYSA-N 1 2 403.551 5.209 50 0 HKAALO Cc1sc2[nH]c(C[N@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023818640 558577052 /nfs/dbraw/zinc/57/70/52/558577052.db2.gz TXBMOLFCCSEYLJ-UHFFFAOYSA-N 1 2 403.551 5.209 50 0 HKAALO Cc1sc2nc([C@@H](C)[NH+]3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2c1C ZINC000023828695 558577262 /nfs/dbraw/zinc/57/72/62/558577262.db2.gz GOLFUVVMWJGGDR-CYBMUJFWSA-N 1 2 424.595 5.152 50 0 HKAALO Cc1sc2nc([C@H](C)[NH+]3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2c1C ZINC000023828698 558577486 /nfs/dbraw/zinc/57/74/86/558577486.db2.gz GOLFUVVMWJGGDR-ZDUSSCGKSA-N 1 2 424.595 5.152 50 0 HKAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855510 558578033 /nfs/dbraw/zinc/57/80/33/558578033.db2.gz AQVSHKQPFTZPKJ-JOCHJYFZSA-N 1 2 402.544 5.528 50 0 HKAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855510 558578036 /nfs/dbraw/zinc/57/80/36/558578036.db2.gz AQVSHKQPFTZPKJ-JOCHJYFZSA-N 1 2 402.544 5.528 50 0 HKAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855512 558577878 /nfs/dbraw/zinc/57/78/78/558577878.db2.gz AQVSHKQPFTZPKJ-QFIPXVFZSA-N 1 2 402.544 5.528 50 0 HKAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855512 558577880 /nfs/dbraw/zinc/57/78/80/558577880.db2.gz AQVSHKQPFTZPKJ-QFIPXVFZSA-N 1 2 402.544 5.528 50 0 HKAALO O=C(NC1CCCCCC1)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000023908034 558580847 /nfs/dbraw/zinc/58/08/47/558580847.db2.gz LTBHYEIQWJQFPV-UHFFFAOYSA-N 1 2 413.565 5.246 50 0 HKAALO O=C(NC1CCCCCC1)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000023908034 558580849 /nfs/dbraw/zinc/58/08/49/558580849.db2.gz LTBHYEIQWJQFPV-UHFFFAOYSA-N 1 2 413.565 5.246 50 0 HKAALO O=c1nc(C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955955 558582412 /nfs/dbraw/zinc/58/24/12/558582412.db2.gz FPUSUTWZNNIZMY-NRFANRHFSA-N 1 2 419.575 5.223 50 0 HKAALO O=c1nc(C[N@H+]2CCc3sccc3[C@@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955955 558582415 /nfs/dbraw/zinc/58/24/15/558582415.db2.gz FPUSUTWZNNIZMY-NRFANRHFSA-N 1 2 419.575 5.223 50 0 HKAALO O=c1nc(C[N@@H+]2CCc3sccc3[C@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955957 558582353 /nfs/dbraw/zinc/58/23/53/558582353.db2.gz FPUSUTWZNNIZMY-OAQYLSRUSA-N 1 2 419.575 5.223 50 0 HKAALO O=c1nc(C[N@H+]2CCc3sccc3[C@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955957 558582355 /nfs/dbraw/zinc/58/23/55/558582355.db2.gz FPUSUTWZNNIZMY-OAQYLSRUSA-N 1 2 419.575 5.223 50 0 HKAALO O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000023967984 526581257 /nfs/dbraw/zinc/58/12/57/526581257.db2.gz CKLXTFCOXBHQLI-AREMUKBSSA-N 1 2 423.516 5.009 50 0 HKAALO O=C(c1c[nH]c2ccccc12)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000023967986 526580725 /nfs/dbraw/zinc/58/07/25/526580725.db2.gz CKLXTFCOXBHQLI-SANMLTNESA-N 1 2 423.516 5.009 50 0 HKAALO Clc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968217 526936541 /nfs/dbraw/zinc/93/65/41/526936541.db2.gz YCDYDLINQPCAPP-QGZVFWFLSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968217 526936547 /nfs/dbraw/zinc/93/65/47/526936547.db2.gz YCDYDLINQPCAPP-QGZVFWFLSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968219 526935879 /nfs/dbraw/zinc/93/58/79/526935879.db2.gz YCDYDLINQPCAPP-KRWDZBQOSA-N 1 2 410.930 5.727 50 0 HKAALO Clc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968219 526935886 /nfs/dbraw/zinc/93/58/86/526935886.db2.gz YCDYDLINQPCAPP-KRWDZBQOSA-N 1 2 410.930 5.727 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000023983782 558583572 /nfs/dbraw/zinc/58/35/72/558583572.db2.gz WYJVZWUORUDPGY-HSZRJFAPSA-N 1 2 422.575 5.523 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1nc3ccccc3s1)CC2 ZINC000023983782 558583575 /nfs/dbraw/zinc/58/35/75/558583575.db2.gz WYJVZWUORUDPGY-HSZRJFAPSA-N 1 2 422.575 5.523 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000023983785 558583554 /nfs/dbraw/zinc/58/35/54/558583554.db2.gz WYJVZWUORUDPGY-QHCPKHFHSA-N 1 2 422.575 5.523 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1nc3ccccc3s1)CC2 ZINC000023983785 558583556 /nfs/dbraw/zinc/58/35/56/558583556.db2.gz WYJVZWUORUDPGY-QHCPKHFHSA-N 1 2 422.575 5.523 50 0 HKAALO Cc1cc(NC(=O)[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990081 558583797 /nfs/dbraw/zinc/58/37/97/558583797.db2.gz HQZPESHGXDMVDB-XLIONFOSSA-N 1 2 413.930 5.143 50 0 HKAALO Cc1cc(NC(=O)[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990082 558583769 /nfs/dbraw/zinc/58/37/69/558583769.db2.gz HQZPESHGXDMVDB-YLJYHZDGSA-N 1 2 413.930 5.143 50 0 HKAALO Cc1cc(NC(=O)[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990083 558583842 /nfs/dbraw/zinc/58/38/42/558583842.db2.gz HQZPESHGXDMVDB-PXNSSMCTSA-N 1 2 413.930 5.143 50 0 HKAALO Cc1cc(NC(=O)[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990084 558583847 /nfs/dbraw/zinc/58/38/47/558583847.db2.gz HQZPESHGXDMVDB-FXAWDEMLSA-N 1 2 413.930 5.143 50 0 HKAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000023994028 559187245 /nfs/dbraw/zinc/18/72/45/559187245.db2.gz JFPFYLFNUMOUFG-UHFFFAOYSA-N 1 2 403.530 5.510 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000024023347 559187762 /nfs/dbraw/zinc/18/77/62/559187762.db2.gz FABDPUAYCJUPMQ-UHFFFAOYSA-N 1 2 421.932 5.425 50 0 HKAALO COc1ccc(Nc2nn(C[N@@H+]3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083217 558588135 /nfs/dbraw/zinc/58/81/35/558588135.db2.gz BISZXNGEDYAHSP-OAHLLOKOSA-N 1 2 404.586 5.282 50 0 HKAALO COc1ccc(Nc2nn(C[N@H+]3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083217 558588137 /nfs/dbraw/zinc/58/81/37/558588137.db2.gz BISZXNGEDYAHSP-OAHLLOKOSA-N 1 2 404.586 5.282 50 0 HKAALO COc1ccc(Nc2nn(C[N@@H+]3CCC[C@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083221 558588048 /nfs/dbraw/zinc/58/80/48/558588048.db2.gz BISZXNGEDYAHSP-HNNXBMFYSA-N 1 2 404.586 5.282 50 0 HKAALO COc1ccc(Nc2nn(C[N@H+]3CCC[C@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083221 558588051 /nfs/dbraw/zinc/58/80/51/558588051.db2.gz BISZXNGEDYAHSP-HNNXBMFYSA-N 1 2 404.586 5.282 50 0 HKAALO CSc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000024355160 560647507 /nfs/dbraw/zinc/64/75/07/560647507.db2.gz AHXFXHXWIDGGTK-UHFFFAOYSA-N 1 2 403.507 5.196 50 0 HKAALO COc1ccccc1C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1 ZINC000024376000 558596579 /nfs/dbraw/zinc/59/65/79/558596579.db2.gz FMZJNCMTTWGHRY-UHFFFAOYSA-N 1 2 408.498 5.753 50 0 HKAALO COc1ccccc1C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1 ZINC000024376000 558596581 /nfs/dbraw/zinc/59/65/81/558596581.db2.gz FMZJNCMTTWGHRY-UHFFFAOYSA-N 1 2 408.498 5.753 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000024573627 558601434 /nfs/dbraw/zinc/60/14/34/558601434.db2.gz YKEWTQFHRFBCFJ-HSZRJFAPSA-N 1 2 422.506 5.161 50 0 HKAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000024573627 558601438 /nfs/dbraw/zinc/60/14/38/558601438.db2.gz YKEWTQFHRFBCFJ-HSZRJFAPSA-N 1 2 422.506 5.161 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000024573630 558601399 /nfs/dbraw/zinc/60/13/99/558601399.db2.gz YKEWTQFHRFBCFJ-QHCPKHFHSA-N 1 2 422.506 5.161 50 0 HKAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1cc(-c3ccco3)on1)CC2 ZINC000024573630 558601403 /nfs/dbraw/zinc/60/14/03/558601403.db2.gz YKEWTQFHRFBCFJ-QHCPKHFHSA-N 1 2 422.506 5.161 50 0 HKAALO CCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl ZINC000024716785 558608660 /nfs/dbraw/zinc/60/86/60/558608660.db2.gz LJOSSMLQIZPTEI-UHFFFAOYSA-N 1 2 403.960 6.078 50 0 HKAALO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl ZINC000024716785 558608662 /nfs/dbraw/zinc/60/86/62/558608662.db2.gz LJOSSMLQIZPTEI-UHFFFAOYSA-N 1 2 403.960 6.078 50 0 HKAALO CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000024753902 519841105 /nfs/dbraw/zinc/84/11/05/519841105.db2.gz VHHURTUBDHHADW-UHFFFAOYSA-N 1 2 413.631 5.141 50 0 HKAALO Cc1nc(-c2ccc(Oc3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)cc2)no1 ZINC000024835383 558615817 /nfs/dbraw/zinc/61/58/17/558615817.db2.gz FYPNWOXNDQQWKH-UHFFFAOYSA-N 1 2 421.526 5.055 50 0 HKAALO CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1OCC ZINC000025171697 558633663 /nfs/dbraw/zinc/63/36/63/558633663.db2.gz VAWJHCMTTZINSA-UHFFFAOYSA-N 1 2 413.905 5.025 50 0 HKAALO Fc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCOCC2)cc1 ZINC000025178212 560891336 /nfs/dbraw/zinc/89/13/36/560891336.db2.gz UVKUZTAQONESKM-QHCPKHFHSA-N 1 2 407.510 5.155 50 0 HKAALO Fc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCOCC2)cc1 ZINC000025178220 560891289 /nfs/dbraw/zinc/89/12/89/560891289.db2.gz UVKUZTAQONESKM-HSZRJFAPSA-N 1 2 407.510 5.155 50 0 HKAALO COc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCOCC2)cc1 ZINC000025178230 560891254 /nfs/dbraw/zinc/89/12/54/560891254.db2.gz URUPYTQUYKECIT-DEOSSOPVSA-N 1 2 419.546 5.025 50 0 HKAALO COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C[NH+]2CCOCC2)cc1 ZINC000025178239 560891249 /nfs/dbraw/zinc/89/12/49/560891249.db2.gz URUPYTQUYKECIT-XMMPIXPASA-N 1 2 419.546 5.025 50 0 HKAALO Fc1ccccc1N1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000025180558 558633970 /nfs/dbraw/zinc/63/39/70/558633970.db2.gz SDYIOINMSYTEIX-UHFFFAOYSA-N 1 2 421.463 5.290 50 0 HKAALO Cc1cccc(-n2c3ccccc3n(C[N@H+]3CC=C(c4ccccc4)CC3)c2=S)c1 ZINC000025315340 558637777 /nfs/dbraw/zinc/63/77/77/558637777.db2.gz BDFGAHMMLVDMIQ-UHFFFAOYSA-N 1 2 411.574 6.217 50 0 HKAALO Cc1cccc(-n2c3ccccc3n(C[N@@H+]3CC=C(c4ccccc4)CC3)c2=S)c1 ZINC000025315340 558637781 /nfs/dbraw/zinc/63/77/81/558637781.db2.gz BDFGAHMMLVDMIQ-UHFFFAOYSA-N 1 2 411.574 6.217 50 0 HKAALO FC(F)(F)c1ccc(-c2noc(C[NH2+]C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000025378397 558639371 /nfs/dbraw/zinc/63/93/71/558639371.db2.gz QJWQNIKBRHAEDZ-UHFFFAOYSA-N 1 2 409.411 5.635 50 0 HKAALO Cc1cc(C)cc(NC(=O)c2c3ccccc3nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000025391420 558639792 /nfs/dbraw/zinc/63/97/92/558639792.db2.gz XXFIJYUZVMUSDQ-UHFFFAOYSA-N 1 2 421.544 5.662 50 0 HKAALO Cc1cc(C)cc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000025391420 558639795 /nfs/dbraw/zinc/63/97/95/558639795.db2.gz XXFIJYUZVMUSDQ-UHFFFAOYSA-N 1 2 421.544 5.662 50 0 HKAALO Cc1ccc(C)c(NC(=O)c2c3ccccc3nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000025391680 558640009 /nfs/dbraw/zinc/64/00/09/558640009.db2.gz ZTJDZMYPKUEIMT-UHFFFAOYSA-N 1 2 421.544 5.662 50 0 HKAALO Cc1ccc(C)c(NC(=O)c2c3ccccc3nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000025391680 558640011 /nfs/dbraw/zinc/64/00/11/558640011.db2.gz ZTJDZMYPKUEIMT-UHFFFAOYSA-N 1 2 421.544 5.662 50 0 HKAALO CCc1cccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000025391692 558640004 /nfs/dbraw/zinc/64/00/04/558640004.db2.gz UOWZTBOWNLWXRI-UHFFFAOYSA-N 1 2 421.544 5.608 50 0 HKAALO CCc1cccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000025391692 558640006 /nfs/dbraw/zinc/64/00/06/558640006.db2.gz UOWZTBOWNLWXRI-UHFFFAOYSA-N 1 2 421.544 5.608 50 0 HKAALO C[C@@H]1CCc2c(sc3[nH]c(C[N@H+](C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480392 524726790 /nfs/dbraw/zinc/72/67/90/524726790.db2.gz JEKNXUHMFCRAHG-OAHLLOKOSA-N 1 2 409.599 5.039 50 0 HKAALO C[C@@H]1CCc2c(sc3[nH]c(C[N@@H+](C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480392 524726803 /nfs/dbraw/zinc/72/68/03/524726803.db2.gz JEKNXUHMFCRAHG-OAHLLOKOSA-N 1 2 409.599 5.039 50 0 HKAALO C[C@H]1CCc2c(sc3[nH]c(C[N@H+](C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480394 524436974 /nfs/dbraw/zinc/43/69/74/524436974.db2.gz JEKNXUHMFCRAHG-HNNXBMFYSA-N 1 2 409.599 5.039 50 0 HKAALO C[C@H]1CCc2c(sc3[nH]c(C[N@@H+](C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480394 524436980 /nfs/dbraw/zinc/43/69/80/524436980.db2.gz JEKNXUHMFCRAHG-HNNXBMFYSA-N 1 2 409.599 5.039 50 0 HKAALO O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025655059 558646677 /nfs/dbraw/zinc/64/66/77/558646677.db2.gz ARRSHOBPBMIKRI-UHFFFAOYSA-N 1 2 423.501 5.310 50 0 HKAALO Cc1cccc2c1NC(=O)[C@@]21[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686066 558647873 /nfs/dbraw/zinc/64/78/73/558647873.db2.gz CCFQSLGUMVNBMA-SSOJOUAXSA-N 1 2 413.908 5.061 50 0 HKAALO Cc1cccc2c1NC(=O)[C@]21[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686069 558647883 /nfs/dbraw/zinc/64/78/83/558647883.db2.gz CCFQSLGUMVNBMA-GKVSMKOHSA-N 1 2 413.908 5.061 50 0 HKAALO Cc1cccc2c1NC(=O)[C@@]21[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686072 558647781 /nfs/dbraw/zinc/64/77/81/558647781.db2.gz CCFQSLGUMVNBMA-CRICUBBOSA-N 1 2 413.908 5.061 50 0 HKAALO Cc1cccc2c1NC(=O)[C@]21[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686075 558647812 /nfs/dbraw/zinc/64/78/12/558647812.db2.gz CCFQSLGUMVNBMA-NSYGIPOTSA-N 1 2 413.908 5.061 50 0 HKAALO c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCc2cccc3ccccc32)cc1 ZINC000025746548 568913562 /nfs/dbraw/zinc/91/35/62/568913562.db2.gz SADVRTQYNPAJBA-UHFFFAOYSA-N 1 2 414.578 5.368 50 0 HKAALO CC(=O)N(c1nc(CSc2[nH+]cc3ccccn32)cs1)c1c(C)cc(C)cc1C ZINC000026371429 558659649 /nfs/dbraw/zinc/65/96/49/558659649.db2.gz PPDCAZBWCVYQQX-UHFFFAOYSA-N 1 2 422.579 5.693 50 0 HKAALO FC(F)(F)c1ccc(C[N@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C2CC2)cc1 ZINC000026618656 558663812 /nfs/dbraw/zinc/66/38/12/558663812.db2.gz RVXZXVFAKNSEAT-UHFFFAOYSA-N 1 2 408.493 5.267 50 0 HKAALO FC(F)(F)c1ccc(C[N@@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C2CC2)cc1 ZINC000026618656 558663815 /nfs/dbraw/zinc/66/38/15/558663815.db2.gz RVXZXVFAKNSEAT-UHFFFAOYSA-N 1 2 408.493 5.267 50 0 HKAALO CC(C)c1nn(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)n1C1CC1 ZINC000026618814 558663779 /nfs/dbraw/zinc/66/37/79/558663779.db2.gz DFADBFJDZADFKN-UHFFFAOYSA-N 1 2 410.509 5.513 50 0 HKAALO CC(C)c1nn(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)n1C1CC1 ZINC000026618814 558663783 /nfs/dbraw/zinc/66/37/83/558663783.db2.gz DFADBFJDZADFKN-UHFFFAOYSA-N 1 2 410.509 5.513 50 0 HKAALO CC[NH+](CC)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000026921180 558667310 /nfs/dbraw/zinc/66/73/10/558667310.db2.gz CHZBDTQPHUMTPU-HYARGMPZSA-N 1 2 419.550 5.025 50 0 HKAALO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2Cl)cc1 ZINC000026926614 558667164 /nfs/dbraw/zinc/66/71/64/558667164.db2.gz VAXCGBOBFJPNTO-UHFFFAOYSA-N 1 2 412.892 5.167 50 0 HKAALO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(F)cc2Cl)cc1 ZINC000026926614 558667166 /nfs/dbraw/zinc/66/71/66/558667166.db2.gz VAXCGBOBFJPNTO-UHFFFAOYSA-N 1 2 412.892 5.167 50 0 HKAALO CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH+]c(N[C@H](C)c3ccccc3)c2)[nH]1 ZINC000026961992 558667671 /nfs/dbraw/zinc/66/76/71/558667671.db2.gz VXPWQNBKEIVYIS-OAHLLOKOSA-N 1 2 404.514 6.173 50 0 in-vivo HKAALO Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Br)cc3)[nH+]c12 ZINC000027117633 558669708 /nfs/dbraw/zinc/66/97/08/558669708.db2.gz BUBKONKQLOTJAF-UHFFFAOYSA-N 1 2 421.125 6.076 50 0 HKAALO Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Cl)c(Cl)c3)[nH+]c12 ZINC000027117650 558669676 /nfs/dbraw/zinc/66/96/76/558669676.db2.gz UOMUYLWAPGMAIU-UHFFFAOYSA-N 1 2 421.125 6.076 50 0 HKAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000027549183 569372580 /nfs/dbraw/zinc/37/25/80/569372580.db2.gz IRZWNZLTBSAVOE-UHFFFAOYSA-N 1 2 406.360 5.062 50 0 HKAALO Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc([NH+](C)C)cc2)c1-c1ccccc1 ZINC000027585029 558676426 /nfs/dbraw/zinc/67/64/26/558676426.db2.gz MAINHKUFBLNNEN-UHFFFAOYSA-N 1 2 419.532 6.181 50 0 HKAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680354 569390008 /nfs/dbraw/zinc/39/00/08/569390008.db2.gz MFERFNBYAXHQSW-CYBMUJFWSA-N 1 2 424.863 5.119 50 0 HKAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680360 569389941 /nfs/dbraw/zinc/38/99/41/569389941.db2.gz MFERFNBYAXHQSW-ZDUSSCGKSA-N 1 2 424.863 5.119 50 0 HKAALO CC(C)c1noc([C@@H](C)[N@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777753 569394251 /nfs/dbraw/zinc/39/42/51/569394251.db2.gz UDKAFTVIRHJWQE-CYBMUJFWSA-N 1 2 404.308 5.409 50 0 HKAALO CC(C)c1noc([C@@H](C)[N@@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777753 569394252 /nfs/dbraw/zinc/39/42/52/569394252.db2.gz UDKAFTVIRHJWQE-CYBMUJFWSA-N 1 2 404.308 5.409 50 0 HKAALO CC(C)c1noc([C@H](C)[N@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777756 569394284 /nfs/dbraw/zinc/39/42/84/569394284.db2.gz UDKAFTVIRHJWQE-ZDUSSCGKSA-N 1 2 404.308 5.409 50 0 HKAALO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777756 569394286 /nfs/dbraw/zinc/39/42/86/569394286.db2.gz UDKAFTVIRHJWQE-ZDUSSCGKSA-N 1 2 404.308 5.409 50 0 HKAALO CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)c1 ZINC000028272689 568783827 /nfs/dbraw/zinc/78/38/27/568783827.db2.gz MUBLCUBZZAAYPI-UHFFFAOYSA-N 1 2 401.491 5.082 50 0 HKAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCC(Cc2ccccc2)CC1 ZINC000028405981 558700240 /nfs/dbraw/zinc/70/02/40/558700240.db2.gz XOYFWUAPEUSKCM-UHFFFAOYSA-N 1 2 417.944 5.236 50 0 HKAALO C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000028433421 558701007 /nfs/dbraw/zinc/70/10/07/558701007.db2.gz NUHKFNZDURVLBI-OAHLLOKOSA-N 1 2 423.488 5.396 50 0 HKAALO C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000028433423 558700959 /nfs/dbraw/zinc/70/09/59/558700959.db2.gz NUHKFNZDURVLBI-HNNXBMFYSA-N 1 2 423.488 5.396 50 0 HKAALO CSc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)c1 ZINC000028437116 568785034 /nfs/dbraw/zinc/78/50/34/568785034.db2.gz MNBDMIIBPTZDPE-UHFFFAOYSA-N 1 2 405.548 5.601 50 0 HKAALO CSc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000028484898 558701628 /nfs/dbraw/zinc/70/16/28/558701628.db2.gz NLWNCTDDNZTGMI-UHFFFAOYSA-N 1 2 405.548 5.601 50 0 HKAALO Cc1nc2cc(NC(=O)c3ccccc3SCc3cn4ccccc4[nH+]3)ccc2o1 ZINC000028493611 558701701 /nfs/dbraw/zinc/70/17/01/558701701.db2.gz CYSKQNQIUMUXAW-UHFFFAOYSA-N 1 2 414.490 5.329 50 0 HKAALO COc1ccc2cc([C@H](C)C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)ccc2c1 ZINC000028683710 558703595 /nfs/dbraw/zinc/70/35/95/558703595.db2.gz DTMLBDOKSWYKRV-IRXDYDNUSA-N 1 2 423.582 5.279 50 0 HKAALO COc1ccc2cc([C@H](C)C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)ccc2c1 ZINC000028683710 558703598 /nfs/dbraw/zinc/70/35/98/558703598.db2.gz DTMLBDOKSWYKRV-IRXDYDNUSA-N 1 2 423.582 5.279 50 0 HKAALO CC1CC[NH+](Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)CC1 ZINC000028705455 558703941 /nfs/dbraw/zinc/70/39/41/558703941.db2.gz NKHDKGBFAWPBFP-UHFFFAOYSA-N 1 2 404.483 5.006 50 0 HKAALO Cc1ccc(CCC2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)cc1 ZINC000029146917 558710606 /nfs/dbraw/zinc/71/06/06/558710606.db2.gz OINDKWLPZSARIN-UHFFFAOYSA-N 1 2 401.510 5.235 50 0 HKAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1SCc1cccs1 ZINC000029207103 558711826 /nfs/dbraw/zinc/71/18/26/558711826.db2.gz SMRIGLHXQMGYAP-UHFFFAOYSA-N 1 2 419.575 5.215 50 0 HKAALO Cc1ccc(-c2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)c(C)c1 ZINC000029922775 568851856 /nfs/dbraw/zinc/85/18/56/568851856.db2.gz OOKIZESGFJYSNN-UHFFFAOYSA-N 1 2 415.459 5.299 50 0 HKAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000030217611 558728151 /nfs/dbraw/zinc/72/81/51/558728151.db2.gz GHBNNTANIRKDBJ-DEOSSOPVSA-N 1 2 413.546 5.081 50 0 HKAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000030217615 558728116 /nfs/dbraw/zinc/72/81/16/558728116.db2.gz GHBNNTANIRKDBJ-XMMPIXPASA-N 1 2 413.546 5.081 50 0 HKAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)c1ccccc1F ZINC000030645583 558734847 /nfs/dbraw/zinc/73/48/47/558734847.db2.gz DZYORZLUCRYAOC-NRFANRHFSA-N 1 2 411.933 5.820 50 0 HKAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)c1ccccc1F ZINC000030645587 558734921 /nfs/dbraw/zinc/73/49/21/558734921.db2.gz DZYORZLUCRYAOC-OAQYLSRUSA-N 1 2 411.933 5.820 50 0 HKAALO O=C(c1ccc(SCc2cn3ccccc3[nH+]2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031070924 568912145 /nfs/dbraw/zinc/91/21/45/568912145.db2.gz YPOOOBIOCDKVPO-UHFFFAOYSA-N 1 2 413.546 5.431 50 0 HKAALO O=C(Nc1ccccc1F)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000031661235 568837384 /nfs/dbraw/zinc/83/73/84/568837384.db2.gz VIBPODNBQHHABQ-UHFFFAOYSA-N 1 2 413.493 5.043 50 0 HKAALO CCOc1ccc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000032508789 520918838 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418.994 5.346 50 0 HKAALO Cc1cccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935662 524916312 /nfs/dbraw/zinc/91/63/12/524916312.db2.gz HKERHONMNNPXHX-OAHLLOKOSA-N 1 2 411.908 5.385 50 0 HKAALO Cc1cccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935662 524916326 /nfs/dbraw/zinc/91/63/26/524916326.db2.gz HKERHONMNNPXHX-OAHLLOKOSA-N 1 2 411.908 5.385 50 0 HKAALO Cc1cccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935663 524916941 /nfs/dbraw/zinc/91/69/41/524916941.db2.gz HKERHONMNNPXHX-HNNXBMFYSA-N 1 2 411.908 5.385 50 0 HKAALO Cc1cccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935663 524916950 /nfs/dbraw/zinc/91/69/50/524916950.db2.gz HKERHONMNNPXHX-HNNXBMFYSA-N 1 2 411.908 5.385 50 0 HKAALO Cc1cc(C(=O)NCCC2=CCCCC2)c(C)n1-c1ccc(N2CCCCC2)[nH+]c1 ZINC000032944438 526265888 /nfs/dbraw/zinc/26/58/88/526265888.db2.gz VLCUJQKAUKEDTF-UHFFFAOYSA-N 1 2 406.574 5.100 50 0 HKAALO Cc1ccc(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1C ZINC000032951461 525159717 /nfs/dbraw/zinc/15/97/17/525159717.db2.gz LFZHLVQVVQYNQG-UHFFFAOYSA-N 1 2 412.537 5.260 50 0 HKAALO Cc1ccc(C)c(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)c1 ZINC000032951464 524147785 /nfs/dbraw/zinc/14/77/85/524147785.db2.gz WAGWMBJOIUZZLI-UHFFFAOYSA-N 1 2 412.537 5.260 50 0 HKAALO Cc1cc(C)cc(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)c1 ZINC000032951466 524426593 /nfs/dbraw/zinc/42/65/93/524426593.db2.gz CLKLCKXCWGIWOT-UHFFFAOYSA-N 1 2 412.537 5.260 50 0 HKAALO Cc1ccc(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)c(C)c1 ZINC000032951485 525160039 /nfs/dbraw/zinc/16/00/39/525160039.db2.gz ZFBJEZJFWZKPFE-UHFFFAOYSA-N 1 2 412.537 5.260 50 0 HKAALO CC[N@H+](CCCNC(=O)c1c2ccccc2nnc1-c1ccc(C)cc1)c1ccccc1 ZINC000032952932 521020004 /nfs/dbraw/zinc/02/00/04/521020004.db2.gz NYSGANMXPZAWMX-UHFFFAOYSA-N 1 2 424.548 5.252 50 0 HKAALO CC[N@@H+](CCCNC(=O)c1c2ccccc2nnc1-c1ccc(C)cc1)c1ccccc1 ZINC000032952932 521020016 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HKAALO Cc1ccc(Cl)cc1NC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000032953753 524750935 /nfs/dbraw/zinc/75/09/35/524750935.db2.gz PZOWKVUXOBPGGB-UHFFFAOYSA-N 1 2 408.933 6.139 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc12 ZINC000032953755 525063330 /nfs/dbraw/zinc/06/33/30/525063330.db2.gz XNALBSWULJKWAZ-UHFFFAOYSA-N 1 2 412.896 5.970 50 0 HKAALO CCOc1ccccc1NC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000032953763 521542026 /nfs/dbraw/zinc/54/20/26/521542026.db2.gz BVSAGVKUFKIKPS-UHFFFAOYSA-N 1 2 404.514 5.576 50 0 HKAALO CCOc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000032953765 521099923 /nfs/dbraw/zinc/09/99/23/521099923.db2.gz GUWMZPKCMJBIPH-UHFFFAOYSA-N 1 2 404.514 5.576 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3cccc(Cl)c3C)cc12 ZINC000032953769 525063274 /nfs/dbraw/zinc/06/32/74/525063274.db2.gz OCDHCQNQPYHOQT-UHFFFAOYSA-N 1 2 408.933 6.139 50 0 HKAALO COc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c(OC)c1 ZINC000032953794 524578850 /nfs/dbraw/zinc/57/88/50/524578850.db2.gz IQFQNYSEIKUFQU-UHFFFAOYSA-N 1 2 420.513 5.195 50 0 HKAALO COc1cc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc(OC)c1 ZINC000032953796 522702193 /nfs/dbraw/zinc/70/21/93/522702193.db2.gz XAYBGDKOGKLPNN-UHFFFAOYSA-N 1 2 420.513 5.195 50 0 HKAALO COc1ccc(C)cc1NC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000032953804 523834850 /nfs/dbraw/zinc/83/48/50/523834850.db2.gz JRRFPROCCKGAOL-UHFFFAOYSA-N 1 2 404.514 5.495 50 0 HKAALO COC(=O)c1sccc1NC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000032953817 522446389 /nfs/dbraw/zinc/44/63/89/522446389.db2.gz FVHUUYJGJHYPQS-UHFFFAOYSA-N 1 2 424.526 5.026 50 0 HKAALO CCOC(=O)c1ccc(NC(=O)Nc2ccc3[nH+]c(N(CC)CC)cc(C)c3c2)cc1 ZINC000032953956 521506846 /nfs/dbraw/zinc/50/68/46/521506846.db2.gz LPMDYHYSJKOSRX-UHFFFAOYSA-N 1 2 420.513 5.210 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1OC ZINC000032960450 524722519 /nfs/dbraw/zinc/72/25/19/524722519.db2.gz BWUGBZPXZNIPHY-UHFFFAOYSA-N 1 2 410.424 5.076 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)c(OC)c1 ZINC000032960452 524721747 /nfs/dbraw/zinc/72/17/47/524721747.db2.gz VEMNQXQUZILWBE-UHFFFAOYSA-N 1 2 410.424 5.076 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1Cl ZINC000032960472 524722217 /nfs/dbraw/zinc/72/22/17/524722217.db2.gz FFGCJJQODUKUBL-UHFFFAOYSA-N 1 2 414.843 5.721 50 0 HKAALO Cc1c(C)n(-c2ccc(F)c(F)c2)c2nc[nH+]c(NCc3ccc(F)cc3Cl)c12 ZINC000032960476 525678525 /nfs/dbraw/zinc/67/85/25/525678525.db2.gz YNYOJQAGIAVETI-UHFFFAOYSA-N 1 2 416.834 5.720 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1OC ZINC000032960480 524721426 /nfs/dbraw/zinc/72/14/26/524721426.db2.gz NFBSOZMJNSYNME-UHFFFAOYSA-N 1 2 410.424 5.076 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)c(OC)c1 ZINC000032960483 524722316 /nfs/dbraw/zinc/72/23/16/524722316.db2.gz IXEPJFFFBMBDTR-UHFFFAOYSA-N 1 2 410.424 5.076 50 0 HKAALO COc1cc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc(OC)c1 ZINC000032960484 522770226 /nfs/dbraw/zinc/77/02/26/522770226.db2.gz BZJQBMAGDCCEBR-UHFFFAOYSA-N 1 2 410.424 5.076 50 0 HKAALO CCOC(=O)c1cccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)c1 ZINC000032960485 521547805 /nfs/dbraw/zinc/54/78/05/521547805.db2.gz MQAFBLANMAODSM-UHFFFAOYSA-N 1 2 422.435 5.236 50 0 HKAALO CCOC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960487 521522697 /nfs/dbraw/zinc/52/26/97/521522697.db2.gz NEIBFDZBFNDQFZ-UHFFFAOYSA-N 1 2 422.435 5.236 50 0 HKAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1Cl ZINC000032960495 524722344 /nfs/dbraw/zinc/72/23/44/524722344.db2.gz YUIDEZWFQCDSQO-UHFFFAOYSA-N 1 2 414.843 5.721 50 0 HKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3cccc(C(F)(F)F)c3)c12 ZINC000032960498 525678998 /nfs/dbraw/zinc/67/89/98/525678998.db2.gz BLGJDVALRMYNLE-UHFFFAOYSA-N 1 2 400.379 5.939 50 0 HKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3cccc(C(F)(F)F)c3)c12 ZINC000032960511 525679441 /nfs/dbraw/zinc/67/94/41/525679441.db2.gz VENVTQYJYRSEBJ-UHFFFAOYSA-N 1 2 416.834 6.453 50 0 HKAALO COc1cc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc(OC)c1 ZINC000032960513 522768130 /nfs/dbraw/zinc/76/81/30/522768130.db2.gz PJEWAJJGJQYFLV-UHFFFAOYSA-N 1 2 408.889 5.452 50 0 HKAALO Cc1c(C)n(-c2cccc(Cl)c2)c2nc[nH+]c(Nc3ccc4c(c3)OCCO4)c12 ZINC000032960531 525679309 /nfs/dbraw/zinc/67/93/09/525679309.db2.gz YZZRBUACHQPTBF-UHFFFAOYSA-N 1 2 406.873 5.206 50 0 HKAALO CCN(CC)c1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960604 520888998 /nfs/dbraw/zinc/88/89/98/520888998.db2.gz OSSTVQZEBDIFSL-UHFFFAOYSA-N 1 2 412.537 5.447 50 0 HKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccc1Br ZINC000032960607 527167754 /nfs/dbraw/zinc/16/77/54/527167754.db2.gz KNDJHJNUFOKIDS-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccc(Br)cc1 ZINC000032960653 527167860 /nfs/dbraw/zinc/16/78/60/527167860.db2.gz QLPFHSWUFMUKGM-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO O=C(COc1ccc(Cl)cc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960671 526953093 /nfs/dbraw/zinc/95/30/93/526953093.db2.gz NQMBEROULPDZDE-UHFFFAOYSA-N 1 2 405.885 5.019 50 0 HKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1cccc(Br)c1 ZINC000032960687 527167877 /nfs/dbraw/zinc/16/78/77/527167877.db2.gz MPVVEDSSKZJAEK-UHFFFAOYSA-N 1 2 420.310 5.363 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000032960744 523182440 /nfs/dbraw/zinc/18/24/40/523182440.db2.gz KRQAPZSALBHDQQ-UHFFFAOYSA-N 1 2 403.913 5.747 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000032960754 523182921 /nfs/dbraw/zinc/18/29/21/523182921.db2.gz HLWRIGVQEIOZRA-UHFFFAOYSA-N 1 2 401.485 5.162 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000032960781 523183569 /nfs/dbraw/zinc/18/35/69/523183569.db2.gz JSYBGIQPOMCAMR-UHFFFAOYSA-N 1 2 403.913 5.747 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000032960789 523183335 /nfs/dbraw/zinc/18/33/35/523183335.db2.gz WHFGWFQTFIQZAD-UHFFFAOYSA-N 1 2 408.505 5.575 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000032960793 523181959 /nfs/dbraw/zinc/18/19/59/523181959.db2.gz OOOQBVKYMTVUNH-UHFFFAOYSA-N 1 2 401.485 5.541 50 0 HKAALO Cn1c(CCc2ccc(NC(=O)CSc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000032960878 527050963 /nfs/dbraw/zinc/05/09/63/527050963.db2.gz KUTPLVJFAHSVCB-UHFFFAOYSA-N 1 2 401.535 5.089 50 0 HKAALO Cn1c(CCc2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[nH+]c2ccccc21 ZINC000032960900 527050764 /nfs/dbraw/zinc/05/07/64/527050764.db2.gz QSNYJQOZZVHZLO-UHFFFAOYSA-N 1 2 407.876 5.403 50 0 HKAALO COc1ccc(CCC(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000032960938 523926714 /nfs/dbraw/zinc/92/67/14/523926714.db2.gz ZIKGHTRKXBZXID-UHFFFAOYSA-N 1 2 413.521 5.236 50 0 HKAALO COc1ccc(CCC(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)cc1 ZINC000032960938 523926720 /nfs/dbraw/zinc/92/67/20/523926720.db2.gz ZIKGHTRKXBZXID-UHFFFAOYSA-N 1 2 413.521 5.236 50 0 HKAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)[nH+]c2c1 ZINC000032960966 526099064 /nfs/dbraw/zinc/09/90/64/526099064.db2.gz FFGFWISJFYLBFP-UHFFFAOYSA-N 1 2 419.912 5.327 50 0 HKAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000032960966 526099073 /nfs/dbraw/zinc/09/90/73/526099073.db2.gz FFGFWISJFYLBFP-UHFFFAOYSA-N 1 2 419.912 5.327 50 0 HKAALO CCCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)[nH+]c2ccccc21 ZINC000032961006 521628324 /nfs/dbraw/zinc/62/83/24/521628324.db2.gz FJAOQBQDDBZREC-UHFFFAOYSA-N 1 2 413.521 5.492 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000032961007 521628053 /nfs/dbraw/zinc/62/80/53/521628053.db2.gz PFNIEJYHFSQATC-UHFFFAOYSA-N 1 2 417.940 6.137 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000032961008 521628280 /nfs/dbraw/zinc/62/82/80/521628280.db2.gz WEXNYNIIKYYWPB-UHFFFAOYSA-N 1 2 417.940 6.137 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000032961009 521627731 /nfs/dbraw/zinc/62/77/31/521627731.db2.gz KZXXUYJFUDRMFF-UHFFFAOYSA-N 1 2 403.570 6.140 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000032961010 521628040 /nfs/dbraw/zinc/62/80/40/521628040.db2.gz PNAVLHKVJPYOFP-UHFFFAOYSA-N 1 2 401.485 5.623 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000032961016 521628569 /nfs/dbraw/zinc/62/85/69/521628569.db2.gz DLGSOLHEFWARRU-UHFFFAOYSA-N 1 2 417.940 6.137 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000032961018 521628452 /nfs/dbraw/zinc/62/84/52/521628452.db2.gz LGUYICBFOUFZOD-UHFFFAOYSA-N 1 2 415.512 5.931 50 0 HKAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000032978588 558803732 /nfs/dbraw/zinc/80/37/32/558803732.db2.gz GMZZETMBJGCIEW-UHFFFAOYSA-N 1 2 421.444 5.270 50 0 HKAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000032978592 558803788 /nfs/dbraw/zinc/80/37/88/558803788.db2.gz CTEYCTOSOOYRHY-UHFFFAOYSA-N 1 2 403.960 5.373 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4C)cc3)nc(C)[nH+]2)cc1 ZINC000033014167 558834238 /nfs/dbraw/zinc/83/42/38/558834238.db2.gz FVNJAKFMYABTLG-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4C)cc3)[nH+]c(C)n2)cc1 ZINC000033014167 558834242 /nfs/dbraw/zinc/83/42/42/558834242.db2.gz FVNJAKFMYABTLG-UHFFFAOYSA-N 1 2 423.520 6.141 50 0 HKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000033019619 558836151 /nfs/dbraw/zinc/83/61/51/558836151.db2.gz MAVXSGIBQIPWHW-UHFFFAOYSA-N 1 2 413.506 5.052 50 0 HKAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000033019622 558836179 /nfs/dbraw/zinc/83/61/79/558836179.db2.gz SBBMTDRSBIWSJG-UHFFFAOYSA-N 1 2 414.896 5.735 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000033019727 558836311 /nfs/dbraw/zinc/83/63/11/558836311.db2.gz NWLQRDLOKLFSEK-UHFFFAOYSA-N 1 2 401.485 5.162 50 0 HKAALO CCn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)Cc1ccccc1Cl ZINC000033019732 558836305 /nfs/dbraw/zinc/83/63/05/558836305.db2.gz LPLOXKJTKIPNQG-UHFFFAOYSA-N 1 2 417.940 5.676 50 0 HKAALO CCCn1c2ccccc2[nH+]c1CCc1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000033019746 558836326 /nfs/dbraw/zinc/83/63/26/558836326.db2.gz UKZMFLOSRQBLJL-UHFFFAOYSA-N 1 2 415.512 5.552 50 0 HKAALO CCCn1c(CCc2ccccc2NC(=O)Cc2ccccc2C)[nH+]c2ccccc21 ZINC000033019778 558836324 /nfs/dbraw/zinc/83/63/24/558836324.db2.gz OOPBIODTZSMNRF-UHFFFAOYSA-N 1 2 411.549 5.721 50 0 HKAALO Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033019884 558836375 /nfs/dbraw/zinc/83/63/75/558836375.db2.gz BMYFTZDTIOUBAW-UHFFFAOYSA-N 1 2 422.488 5.564 50 0 HKAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)CSc3ccccc3)ccc21 ZINC000033020568 558836619 /nfs/dbraw/zinc/83/66/19/558836619.db2.gz PDPLKKBYOGCLGJ-UHFFFAOYSA-N 1 2 401.535 5.089 50 0 HKAALO Cn1c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH+]c1CCc1ccccc1 ZINC000033020587 558836744 /nfs/dbraw/zinc/83/67/44/558836744.db2.gz ZHQKKTLLAGJIMA-UHFFFAOYSA-N 1 2 423.438 5.630 50 0 HKAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000033020589 558836749 /nfs/dbraw/zinc/83/67/49/558836749.db2.gz YDQXVTPZYAXZJO-UHFFFAOYSA-N 1 2 407.876 5.403 50 0 HKAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000033020616 558836812 /nfs/dbraw/zinc/83/68/12/558836812.db2.gz IYPRGZKOYZJPFM-UHFFFAOYSA-N 1 2 414.896 5.735 50 0 HKAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000033034512 558858448 /nfs/dbraw/zinc/85/84/48/558858448.db2.gz NXLOVJNLPQURBR-UHFFFAOYSA-N 1 2 416.569 5.468 50 0 HKAALO CCC[C@@H](NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1)c1cccs1 ZINC000033071180 568511092 /nfs/dbraw/zinc/51/10/92/568511092.db2.gz JIGMVKIZWYQHQN-QGZVFWFLSA-N 1 2 416.978 5.152 50 0 HKAALO CCC[C@H](NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1)c1cccs1 ZINC000033071182 558866579 /nfs/dbraw/zinc/86/65/79/558866579.db2.gz JIGMVKIZWYQHQN-KRWDZBQOSA-N 1 2 416.978 5.152 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000033078140 558760426 /nfs/dbraw/zinc/76/04/26/558760426.db2.gz WGWKLZSHIBMZJK-UHFFFAOYSA-N 1 2 407.905 5.035 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)[nH+]1 ZINC000033078141 558867521 /nfs/dbraw/zinc/86/75/21/558867521.db2.gz IGLBRSNHQXPMPW-UHFFFAOYSA-N 1 2 415.541 5.090 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000033078151 558867563 /nfs/dbraw/zinc/86/75/63/558867563.db2.gz HIZHWEOSLDTFMM-UHFFFAOYSA-N 1 2 421.932 5.425 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000033078152 558867494 /nfs/dbraw/zinc/86/74/94/558867494.db2.gz RLFXTDKNHNXHSF-UHFFFAOYSA-N 1 2 421.932 5.425 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccccc3Br)cc12 ZINC000033084538 558868773 /nfs/dbraw/zinc/86/87/73/558868773.db2.gz HUCUGPHCESSTIB-UHFFFAOYSA-N 1 2 424.342 5.548 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccc(Br)cc3)cc12 ZINC000033084543 558868790 /nfs/dbraw/zinc/86/87/90/558868790.db2.gz ASANXVJJNNJZFA-UHFFFAOYSA-N 1 2 424.342 5.548 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3cccc(Br)c3)cc12 ZINC000033084551 558868779 /nfs/dbraw/zinc/86/87/79/558868779.db2.gz FIGPFTSODJBTLO-UHFFFAOYSA-N 1 2 424.342 5.548 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CSCc3ccc(F)cc3)cc12 ZINC000033084573 558868741 /nfs/dbraw/zinc/86/87/41/558868741.db2.gz FLZLDSWRDPVPJT-UHFFFAOYSA-N 1 2 423.557 5.545 50 0 HKAALO CCN(CC)c1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc1 ZINC000033084577 558868793 /nfs/dbraw/zinc/86/87/93/558868793.db2.gz QJDNVVPJVXCWMQ-UHFFFAOYSA-N 1 2 402.542 5.242 50 0 HKAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)c3ccc(Br)cc3)cc12 ZINC000033084608 558868749 /nfs/dbraw/zinc/86/87/49/558868749.db2.gz LVHPTZBFLFGIMX-UHFFFAOYSA-N 1 2 410.315 5.158 50 0 HKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Br)ccc2[nH+]1 ZINC000033084676 558869048 /nfs/dbraw/zinc/86/90/48/558869048.db2.gz OCDHASWRTLDBMD-UHFFFAOYSA-N 1 2 412.331 5.404 50 0 HKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Br)cc3)ccc2[nH+]1 ZINC000033084683 558869084 /nfs/dbraw/zinc/86/90/84/558869084.db2.gz WMJNWFJHITXNPW-UHFFFAOYSA-N 1 2 412.331 5.404 50 0 HKAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(Br)c3)ccc2[nH+]1 ZINC000033084692 558869024 /nfs/dbraw/zinc/86/90/24/558869024.db2.gz UBIBRPXEEKKJCC-UHFFFAOYSA-N 1 2 412.331 5.404 50 0 HKAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12 ZINC000033084710 558869033 /nfs/dbraw/zinc/86/90/33/558869033.db2.gz ALWNLAXGJXRWDT-UHFFFAOYSA-N 1 2 402.542 5.098 50 0 HKAALO CCCc1ccc(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1 ZINC000033116553 558877673 /nfs/dbraw/zinc/87/76/73/558877673.db2.gz ZWURIMWMBKPVIS-UHFFFAOYSA-N 1 2 419.550 5.101 50 0 HKAALO Cc1cc(C)c(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1C ZINC000033116574 558877799 /nfs/dbraw/zinc/87/77/99/558877799.db2.gz KVBLLQSZMLHZGQ-UHFFFAOYSA-N 1 2 419.550 5.074 50 0 HKAALO COc1ccc(NC(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000033126363 558883941 /nfs/dbraw/zinc/88/39/41/558883941.db2.gz LOKKMDQXXWXEOW-UHFFFAOYSA-N 1 2 416.481 5.009 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000033126365 558884042 /nfs/dbraw/zinc/88/40/42/558884042.db2.gz QESAHNWBHJLSPF-UHFFFAOYSA-N 1 2 420.900 5.654 50 0 HKAALO O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000033126371 558883966 /nfs/dbraw/zinc/88/39/66/558883966.db2.gz VYSCHIIKVPSIHU-UHFFFAOYSA-N 1 2 408.864 5.785 50 0 HKAALO Cn1c(CCc2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)[nH+]c2ccccc21 ZINC000033126385 558883951 /nfs/dbraw/zinc/88/39/51/558883951.db2.gz RWKZSEVZHDSKQS-UHFFFAOYSA-N 1 2 422.891 5.795 50 0 HKAALO CCOc1ccc(NC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000033126387 558884087 /nfs/dbraw/zinc/88/40/87/558884087.db2.gz QGXKICSXFSXGNQ-UHFFFAOYSA-N 1 2 414.509 5.401 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000033126389 558883964 /nfs/dbraw/zinc/88/39/64/558883964.db2.gz IDBMCRIGJOXQFY-UHFFFAOYSA-N 1 2 418.928 5.964 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)Nc2cc(F)ccc2F)c1 ZINC000033126391 558883938 /nfs/dbraw/zinc/88/39/38/558883938.db2.gz HEKJXUVOGULDGN-UHFFFAOYSA-N 1 2 406.436 5.281 50 0 HKAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000033126395 558883986 /nfs/dbraw/zinc/88/39/86/558883986.db2.gz RBAGQDQTLMTYRE-UHFFFAOYSA-N 1 2 406.436 5.281 50 0 HKAALO CCCn1c(CCc2cccc(NC(=O)Nc3ccc(C)cc3)c2)[nH+]c2ccccc21 ZINC000033126397 558884003 /nfs/dbraw/zinc/88/40/03/558884003.db2.gz RFPOFGIDOZINRH-UHFFFAOYSA-N 1 2 412.537 6.184 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)c1cc(C)n(-c2ccc(N3CCCC3)[nH+]c2)c1C ZINC000033128451 558882263 /nfs/dbraw/zinc/88/22/63/558882263.db2.gz VGSYCIUUORFLFF-UHFFFAOYSA-N 1 2 424.932 5.004 50 0 HKAALO CCc1ccc(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000033252137 568511974 /nfs/dbraw/zinc/51/19/74/568511974.db2.gz GTOKZDXOWPAKPB-UHFFFAOYSA-N 1 2 412.537 5.206 50 0 HKAALO Cc1ccc(NC(=O)NCCn2c3ccccc3[nH+]c2CCc2ccccc2)cc1F ZINC000033252154 558920233 /nfs/dbraw/zinc/92/02/33/558920233.db2.gz LHBUJTJSFUEZKS-UHFFFAOYSA-N 1 2 416.500 5.091 50 0 HKAALO CCOC(=O)c1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1 ZINC000033252574 558920848 /nfs/dbraw/zinc/92/08/48/558920848.db2.gz JYEBPPKHSBPDNJ-UHFFFAOYSA-N 1 2 404.445 5.097 50 0 HKAALO CCOc1ccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3CC)cc2)cc1 ZINC000033252618 558921025 /nfs/dbraw/zinc/92/10/25/558921025.db2.gz HQRRIHTXNHXHAK-UHFFFAOYSA-N 1 2 413.521 5.492 50 0 HKAALO CCOc1ccccc1C(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2CC)cc1 ZINC000033252619 558921038 /nfs/dbraw/zinc/92/10/38/558921038.db2.gz QTKFUUZVLITLBF-UHFFFAOYSA-N 1 2 413.521 5.492 50 0 HKAALO CCn1c(CCc2cccc(NC(=O)Cc3cccc(OC)c3)c2)[nH+]c2ccccc21 ZINC000033261446 568513007 /nfs/dbraw/zinc/51/30/07/568513007.db2.gz OKVFDNAREFTLEH-UHFFFAOYSA-N 1 2 413.521 5.031 50 0 HKAALO CCn1c(CCc2ccccc2NC(=O)Cc2ccc(OC)cc2)[nH+]c2ccccc21 ZINC000033261470 558930910 /nfs/dbraw/zinc/93/09/10/558930910.db2.gz FRTYSEVTKIZLPX-UHFFFAOYSA-N 1 2 413.521 5.031 50 0 HKAALO COc1ccc2oc(/C=C(/C)[NH+](C)C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000033286246 559043719 /nfs/dbraw/zinc/04/37/19/559043719.db2.gz FOBPOILHHDXTTH-QBFSEMIESA-N 1 2 414.299 5.357 50 0 HKAALO Cc1csc(-c2cc(S(=O)(=O)Nc3cc(C)[nH+]c4ccccc34)c(C)s2)n1 ZINC000033289944 571316126 /nfs/dbraw/zinc/31/61/26/571316126.db2.gz YEGUNSIWYUFUCL-UHFFFAOYSA-N 1 2 415.565 5.146 50 0 HKAALO O=C(CSc1[nH+]ccc2c1ccn2Cc1ccccc1)NCCC1=CCCCC1 ZINC000033298410 559047924 /nfs/dbraw/zinc/04/79/24/559047924.db2.gz PIPPRCNXLWHING-UHFFFAOYSA-N 1 2 405.567 5.183 50 0 HKAALO O=C(Cn1ccc2c1cc[nH+]c2SCc1ccc(F)cc1)NCCC1=CCCCC1 ZINC000033298580 559047909 /nfs/dbraw/zinc/04/79/09/559047909.db2.gz PJSDHFKJHQGFKC-UHFFFAOYSA-N 1 2 423.557 5.474 50 0 HKAALO Cc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCCC2=CCCCC2)cc1 ZINC000033298596 559047926 /nfs/dbraw/zinc/04/79/26/559047926.db2.gz AWUSYOJMJMVXMY-UHFFFAOYSA-N 1 2 419.594 5.644 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)C4CCCC4)cc3)nc(C)[nH+]2)cc1 ZINC000033318352 559055886 /nfs/dbraw/zinc/05/58/86/559055886.db2.gz BJAQGOBUUJJLOI-UHFFFAOYSA-N 1 2 401.514 5.709 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)C4CCCC4)cc3)[nH+]c(C)n2)cc1 ZINC000033318352 559055887 /nfs/dbraw/zinc/05/58/87/559055887.db2.gz BJAQGOBUUJJLOI-UHFFFAOYSA-N 1 2 401.514 5.709 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Cc4ccccc4)cc3)nc(C)[nH+]2)cc1 ZINC000033318358 559055841 /nfs/dbraw/zinc/05/58/41/559055841.db2.gz HURPBISPHWJYRO-UHFFFAOYSA-N 1 2 423.520 5.762 50 0 HKAALO Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Cc4ccccc4)cc3)[nH+]c(C)n2)cc1 ZINC000033318358 559055843 /nfs/dbraw/zinc/05/58/43/559055843.db2.gz HURPBISPHWJYRO-UHFFFAOYSA-N 1 2 423.520 5.762 50 0 HKAALO CCC[NH+](/C=C1/c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O)CCC ZINC000033401770 535182854 /nfs/dbraw/zinc/18/28/54/535182854.db2.gz MLPKRCYQMJENJJ-SDXDJHTJSA-N 1 2 416.443 5.355 50 0 HKAALO Cn1cc[nH+]c1/C=C(/OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000033926829 568524557 /nfs/dbraw/zinc/52/45/57/568524557.db2.gz IVZBPGCHFUDYTO-PTGBLXJZSA-N 1 2 416.565 6.370 50 0 HKAALO O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926917 560540043 /nfs/dbraw/zinc/54/00/43/560540043.db2.gz CRLQJTSACHTAGF-KXSOJQAOSA-N 1 2 403.525 6.209 50 0 HKAALO Cc1ccc(C[N@@H+](CCC(C)C)Cc2nc(C(=O)NCc3ccco3)cs2)s1 ZINC000034670233 557363109 /nfs/dbraw/zinc/36/31/09/557363109.db2.gz GZZOBYRWTMTADH-UHFFFAOYSA-N 1 2 417.600 5.084 50 0 HKAALO Cc1ccc(C[N@H+](CCC(C)C)Cc2nc(C(=O)NCc3ccco3)cs2)s1 ZINC000034670233 557363111 /nfs/dbraw/zinc/36/31/11/557363111.db2.gz GZZOBYRWTMTADH-UHFFFAOYSA-N 1 2 417.600 5.084 50 0 HKAALO Cc1ccc(C[N@@H+](CCC(C)C)Cc2nc(C(=O)NC3CCCCC3)cs2)s1 ZINC000034670253 557363064 /nfs/dbraw/zinc/36/30/64/557363064.db2.gz QMYGRSYCABZYKG-UHFFFAOYSA-N 1 2 419.660 5.624 50 0 HKAALO Cc1ccc(C[N@H+](CCC(C)C)Cc2nc(C(=O)NC3CCCCC3)cs2)s1 ZINC000034670253 557363069 /nfs/dbraw/zinc/36/30/69/557363069.db2.gz QMYGRSYCABZYKG-UHFFFAOYSA-N 1 2 419.660 5.624 50 0 HKAALO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755671 557458369 /nfs/dbraw/zinc/45/83/69/557458369.db2.gz NTETYRUHURVCGY-UHFFFAOYSA-N 1 2 414.553 5.126 50 0 HKAALO Cc1ccc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755671 557458372 /nfs/dbraw/zinc/45/83/72/557458372.db2.gz NTETYRUHURVCGY-UHFFFAOYSA-N 1 2 414.553 5.126 50 0 HKAALO Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@H+](Cc1cccs1)CC2 ZINC000034755706 557458348 /nfs/dbraw/zinc/45/83/48/557458348.db2.gz COPWEHUGCIBSQV-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@@H+](Cc1cccs1)CC2 ZINC000034755706 557458352 /nfs/dbraw/zinc/45/83/52/557458352.db2.gz COPWEHUGCIBSQV-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000034756001 557458432 /nfs/dbraw/zinc/45/84/32/557458432.db2.gz LTFZRRLVLUXOBS-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000034756001 557458435 /nfs/dbraw/zinc/45/84/35/557458435.db2.gz LTFZRRLVLUXOBS-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO Fc1cccc(Oc2nc(N3CCCCC3)nc3c2C[N@H+](Cc2ccsc2)CC3)c1 ZINC000034756030 557458392 /nfs/dbraw/zinc/45/83/92/557458392.db2.gz YHKNJBMLIRGPIX-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO Fc1cccc(Oc2nc(N3CCCCC3)nc3c2C[N@@H+](Cc2ccsc2)CC3)c1 ZINC000034756030 557458395 /nfs/dbraw/zinc/45/83/95/557458395.db2.gz YHKNJBMLIRGPIX-UHFFFAOYSA-N 1 2 424.545 5.018 50 0 HKAALO O=C(C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 ZINC000034829354 558784454 /nfs/dbraw/zinc/78/44/54/558784454.db2.gz RVBIRBPIRKNEPY-UHFFFAOYSA-N 1 2 416.524 5.932 50 0 HKAALO O=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1C[NH+]1CCCCC1 ZINC000034897614 557480333 /nfs/dbraw/zinc/48/03/33/557480333.db2.gz PEPBJCHRMAGCDK-PDGQHHTCSA-N 1 2 402.903 5.080 50 0 HKAALO O=C(NC1CCCCC1)C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1 ZINC000034906499 557473512 /nfs/dbraw/zinc/47/35/12/557473512.db2.gz KTHOKUQXFIEPPA-UHFFFAOYSA-N 1 2 422.617 5.282 50 0 HKAALO CC1CCN(C(=O)C2CCN(c3[nH+]c4ccccc4n3CC3CCCCC3)CC2)CC1 ZINC000034906518 557473437 /nfs/dbraw/zinc/47/34/37/557473437.db2.gz UKXYKWVTIYGVPM-UHFFFAOYSA-N 1 2 422.617 5.092 50 0 HKAALO Cc1ccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C3CCCC3)CC2)cc1 ZINC000034906662 557473901 /nfs/dbraw/zinc/47/39/01/557473901.db2.gz BUEWDNHKMNOBDS-UHFFFAOYSA-N 1 2 402.542 5.315 50 0 HKAALO C[C@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C2CCCC2)CC1)c1ccccc1 ZINC000034906665 557473997 /nfs/dbraw/zinc/47/39/97/557473997.db2.gz RBRAZNWXRSTOAN-IBGZPJMESA-N 1 2 416.569 5.245 50 0 HKAALO C[C@@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C2CCCC2)CC1)c1ccccc1 ZINC000034906666 557473990 /nfs/dbraw/zinc/47/39/90/557473990.db2.gz RBRAZNWXRSTOAN-LJQANCHMSA-N 1 2 416.569 5.245 50 0 HKAALO C[C@H](NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906680 557473837 /nfs/dbraw/zinc/47/38/37/557473837.db2.gz NGGJKBKOEJMPKB-PZJWPPBQSA-N 1 2 416.569 5.245 50 0 HKAALO C[C@@H](NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906681 557473846 /nfs/dbraw/zinc/47/38/46/557473846.db2.gz NGGJKBKOEJMPKB-TZIWHRDSSA-N 1 2 416.569 5.245 50 0 HKAALO C[C@H](NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906682 557474027 /nfs/dbraw/zinc/47/40/27/557474027.db2.gz NGGJKBKOEJMPKB-FPOVZHCZSA-N 1 2 416.569 5.245 50 0 HKAALO C[C@@H](NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906683 557474010 /nfs/dbraw/zinc/47/40/10/557474010.db2.gz NGGJKBKOEJMPKB-CTNGQTDRSA-N 1 2 416.569 5.245 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000034906757 557473852 /nfs/dbraw/zinc/47/38/52/557473852.db2.gz UDVFFWKDACPFJM-UHFFFAOYSA-N 1 2 408.521 5.077 50 0 HKAALO Cc1ccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3CCC(C)C)CC2)cc1C ZINC000034906758 557474004 /nfs/dbraw/zinc/47/40/04/557474004.db2.gz GMBUGFGVWDMAMV-UHFFFAOYSA-N 1 2 418.585 5.554 50 0 HKAALO Cc1ccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3CCC(C)C)CC2)cc1 ZINC000034906759 557474036 /nfs/dbraw/zinc/47/40/36/557474036.db2.gz CGCWVRMVKLKYRJ-UHFFFAOYSA-N 1 2 404.558 5.246 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034906764 558787342 /nfs/dbraw/zinc/78/73/42/558787342.db2.gz PQLMMQGCEGFRDY-FQEVSTJZSA-N 1 2 418.585 5.176 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034906765 558787273 /nfs/dbraw/zinc/78/72/73/558787273.db2.gz PQLMMQGCEGFRDY-HXUWFJFHSA-N 1 2 418.585 5.176 50 0 HKAALO Cc1ccc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3CCC(C)C)C2)cc1C ZINC000034906790 557473974 /nfs/dbraw/zinc/47/39/74/557473974.db2.gz IYMJZNVSPYMNNJ-OAQYLSRUSA-N 1 2 418.585 5.554 50 0 HKAALO Cc1ccc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3CCC(C)C)C2)cc1C ZINC000034906791 557473812 /nfs/dbraw/zinc/47/38/12/557473812.db2.gz IYMJZNVSPYMNNJ-NRFANRHFSA-N 1 2 418.585 5.554 50 0 HKAALO Cc1ccc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3CCC(C)C)C2)cc1 ZINC000034906792 557473820 /nfs/dbraw/zinc/47/38/20/557473820.db2.gz GCVGYROXXJXWAW-HXUWFJFHSA-N 1 2 404.558 5.246 50 0 HKAALO Cc1ccc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3CCC(C)C)C2)cc1 ZINC000034906793 557473928 /nfs/dbraw/zinc/47/39/28/557473928.db2.gz GCVGYROXXJXWAW-FQEVSTJZSA-N 1 2 404.558 5.246 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034906798 557473911 /nfs/dbraw/zinc/47/39/11/557473911.db2.gz XSDWMYBBSTYOSQ-UNMCSNQZSA-N 1 2 418.585 5.176 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034906799 557474326 /nfs/dbraw/zinc/47/43/26/557474326.db2.gz XSDWMYBBSTYOSQ-RBBKRZOGSA-N 1 2 418.585 5.176 50 0 HKAALO O=C(NCCCNc1[nH+]c2ccccc2n1C1CCCCC1)Nc1cccc(F)c1 ZINC000034906861 557474238 /nfs/dbraw/zinc/47/42/38/557474238.db2.gz PFKOEKVYHBDTOC-UHFFFAOYSA-N 1 2 409.509 5.304 50 0 HKAALO CC(C)n1c2ccccc2[nH+]c1N1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000034907108 557474320 /nfs/dbraw/zinc/47/43/20/557474320.db2.gz DDNUZRCICKBHJI-UHFFFAOYSA-N 1 2 412.537 5.169 50 0 HKAALO CCCCc1ccc(C(=O)NC2CCN(c3[nH+]c4ccccc4n3C(C)C)CC2)cc1 ZINC000034907114 557474269 /nfs/dbraw/zinc/47/42/69/557474269.db2.gz JAIPSZUVGXKYLZ-UHFFFAOYSA-N 1 2 418.585 5.359 50 0 HKAALO CC(C)n1c2ccccc2[nH+]c1N1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000034907154 557474262 /nfs/dbraw/zinc/47/42/62/557474262.db2.gz NBIFZERPYLWWKI-UHFFFAOYSA-N 1 2 412.537 5.169 50 0 HKAALO CC(C)n1c2ccccc2[nH+]c1N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034907160 557474258 /nfs/dbraw/zinc/47/42/58/557474258.db2.gz XKGNEMHRDGCVGB-UHFFFAOYSA-N 1 2 418.585 5.314 50 0 HKAALO COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1c[nH+]c(C)c1 ZINC000034997331 558787995 /nfs/dbraw/zinc/78/79/95/558787995.db2.gz PUOAETJYKQITMO-LANLRWRYSA-N 1 2 419.500 5.095 50 0 investigational HKAALO O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1C[NH+]1CCCCC1 ZINC000035189560 569005079 /nfs/dbraw/zinc/00/50/79/569005079.db2.gz LLWBDECVKWZHCB-PDGQHHTCSA-N 1 2 402.903 5.080 50 0 HKAALO Cc1ccc2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)c(N3CCCCC3)[nH+]c2c1 ZINC000035239957 132227947 /nfs/dbraw/zinc/22/79/47/132227947.db2.gz YJWWVLUXCSCJPP-MOSHPQCFSA-N 1 2 403.913 5.680 50 0 HKAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000035397039 569034795 /nfs/dbraw/zinc/03/47/95/569034795.db2.gz MKFCUQYGRUSSOZ-UHFFFAOYSA-N 1 2 414.896 5.735 50 0 HKAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000035448430 569037486 /nfs/dbraw/zinc/03/74/86/569037486.db2.gz ZGXUVLQTCISCHT-UHFFFAOYSA-N 1 2 416.352 5.096 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476848 558792439 /nfs/dbraw/zinc/79/24/39/558792439.db2.gz YTJXNRUVCQYDAG-NRFANRHFSA-N 1 2 400.507 5.300 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476849 558792523 /nfs/dbraw/zinc/79/25/23/558792523.db2.gz YTJXNRUVCQYDAG-OAQYLSRUSA-N 1 2 400.507 5.300 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476852 558792486 /nfs/dbraw/zinc/79/24/86/558792486.db2.gz JGHYHFORNVNXSO-OAQYLSRUSA-N 1 2 400.507 5.300 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476853 558792517 /nfs/dbraw/zinc/79/25/17/558792517.db2.gz JGHYHFORNVNXSO-NRFANRHFSA-N 1 2 400.507 5.300 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476860 558792533 /nfs/dbraw/zinc/79/25/33/558792533.db2.gz KLBDOTMIEWEBIE-HXUWFJFHSA-N 1 2 405.548 5.967 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476861 558792422 /nfs/dbraw/zinc/79/24/22/558792422.db2.gz KLBDOTMIEWEBIE-FQEVSTJZSA-N 1 2 405.548 5.967 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2ccccn2)c1C ZINC000035476888 569038398 /nfs/dbraw/zinc/03/83/98/569038398.db2.gz VZZSRNYXVXFOFR-JOCHJYFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2ccccn2)c1C ZINC000035476889 569038365 /nfs/dbraw/zinc/03/83/65/569038365.db2.gz VZZSRNYXVXFOFR-QFIPXVFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2cccnc2)c1C ZINC000035476894 569038377 /nfs/dbraw/zinc/03/83/77/569038377.db2.gz PVXDTBAMGROKAF-JOCHJYFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2cccnc2)c1C ZINC000035476895 569038402 /nfs/dbraw/zinc/03/84/02/569038402.db2.gz PVXDTBAMGROKAF-QFIPXVFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2ccncc2)c1C ZINC000035476900 569038350 /nfs/dbraw/zinc/03/83/50/569038350.db2.gz SDJYOGHTJYWOQY-JOCHJYFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2ccncc2)c1C ZINC000035476901 569038393 /nfs/dbraw/zinc/03/83/93/569038393.db2.gz SDJYOGHTJYWOQY-QFIPXVFZSA-N 1 2 414.534 5.609 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2ccsc2)c1C ZINC000035476908 569038362 /nfs/dbraw/zinc/03/83/62/569038362.db2.gz MJRFHKDCFDQLQQ-OAQYLSRUSA-N 1 2 419.575 6.275 50 0 HKAALO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc[nH+]2)c2ccsc2)c1C ZINC000035476909 569038404 /nfs/dbraw/zinc/03/84/04/569038404.db2.gz MJRFHKDCFDQLQQ-NRFANRHFSA-N 1 2 419.575 6.275 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476922 569038352 /nfs/dbraw/zinc/03/83/52/569038352.db2.gz SIGDIPKNMGYDEZ-OAQYLSRUSA-N 1 2 419.575 6.221 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476923 569038367 /nfs/dbraw/zinc/03/83/67/569038367.db2.gz SIGDIPKNMGYDEZ-NRFANRHFSA-N 1 2 419.575 6.221 50 0 HKAALO CCOC(=O)CC1=CC(SCC(=O)c2cc(C)ccc2C)=[NH+]c2ccccc2N1 ZINC000035480718 569039322 /nfs/dbraw/zinc/03/93/22/569039322.db2.gz VKUQIQQWHXEDSY-UHFFFAOYSA-N 1 2 408.523 5.212 50 0 HKAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000035529847 569044259 /nfs/dbraw/zinc/04/42/59/569044259.db2.gz KLBODHUJHNBQGU-HSZRJFAPSA-N 1 2 406.913 5.087 50 0 HKAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000035529847 569044260 /nfs/dbraw/zinc/04/42/60/569044260.db2.gz KLBODHUJHNBQGU-HSZRJFAPSA-N 1 2 406.913 5.087 50 0 HKAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000035529850 569044248 /nfs/dbraw/zinc/04/42/48/569044248.db2.gz KLBODHUJHNBQGU-QHCPKHFHSA-N 1 2 406.913 5.087 50 0 HKAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000035529850 569044249 /nfs/dbraw/zinc/04/42/49/569044249.db2.gz KLBODHUJHNBQGU-QHCPKHFHSA-N 1 2 406.913 5.087 50 0 HKAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000035597384 569045695 /nfs/dbraw/zinc/04/56/95/569045695.db2.gz YKQGYJLIJRWFEK-UHFFFAOYSA-N 1 2 419.876 5.012 50 0 HKAALO Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000035598135 569045866 /nfs/dbraw/zinc/04/58/66/569045866.db2.gz OZZFJKNQANJQAO-UHFFFAOYSA-N 1 2 419.876 5.012 50 0 HKAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O ZINC000035606422 558794163 /nfs/dbraw/zinc/79/41/63/558794163.db2.gz GVCWXPNFGLBMIF-UHFFFAOYSA-N 1 2 417.509 5.900 50 0 HKAALO CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)[nH+]c2ccccn21 ZINC000035606448 558794211 /nfs/dbraw/zinc/79/42/11/558794211.db2.gz RRWJVVSVFAANHP-UHFFFAOYSA-N 1 2 403.482 5.339 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(C(C)C)cc2)ccc1O ZINC000035606511 558794074 /nfs/dbraw/zinc/79/40/74/558794074.db2.gz IISGXVMEMLKCFO-UHFFFAOYSA-N 1 2 407.901 6.236 50 0 HKAALO Cc1ccccc1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)[nH+]c2ccccn21 ZINC000035606546 558794175 /nfs/dbraw/zinc/79/41/75/558794175.db2.gz PPNKDJKYNLDVTR-UHFFFAOYSA-N 1 2 415.390 6.290 50 0 HKAALO CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000035606562 558794142 /nfs/dbraw/zinc/79/41/42/558794142.db2.gz WGEWLKACLHIREI-UHFFFAOYSA-N 1 2 407.901 5.983 50 0 HKAALO CC(C)c1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccccc2)cc(C(C)C)c1O ZINC000035615722 558794194 /nfs/dbraw/zinc/79/41/94/558794194.db2.gz YHLUAOVQKINYMU-UHFFFAOYSA-N 1 2 419.956 7.351 50 0 HKAALO CC(C)(C)c1cc(-c2[nH+]c3ccccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000035615725 558794206 /nfs/dbraw/zinc/79/42/06/558794206.db2.gz SDYJTWMHYSDHCK-UHFFFAOYSA-N 1 2 413.565 7.046 50 0 HKAALO CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)[nH+]c2cccc(C)n21 ZINC000035615734 558794119 /nfs/dbraw/zinc/79/41/19/558794119.db2.gz XFNPSJQVQDJSGJ-UHFFFAOYSA-N 1 2 417.509 5.647 50 0 HKAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C)cc2C)cc(OC)c1O ZINC000035615735 558794066 /nfs/dbraw/zinc/79/40/66/558794066.db2.gz QZGJTEPSTKJFBL-UHFFFAOYSA-N 1 2 403.482 5.393 50 0 HKAALO CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)[nH+]c2ccc(C)cn21 ZINC000035615738 558794218 /nfs/dbraw/zinc/79/42/18/558794218.db2.gz PSBAYHJCLRWGKX-UHFFFAOYSA-N 1 2 417.509 5.647 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000035615867 558794515 /nfs/dbraw/zinc/79/45/15/558794515.db2.gz SJFHSDARXLVBSU-UHFFFAOYSA-N 1 2 423.856 5.144 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615924 558794488 /nfs/dbraw/zinc/79/44/88/558794488.db2.gz FUJVYNPOQGZDPJ-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Oc1cccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Br)cc2)c1 ZINC000035615929 558794386 /nfs/dbraw/zinc/79/43/86/558794386.db2.gz GHHZTXBLSLSSBJ-UHFFFAOYSA-N 1 2 414.690 5.866 50 0 HKAALO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc1 ZINC000035615931 558794501 /nfs/dbraw/zinc/79/45/01/558794501.db2.gz FJXMCIPWYJHDFE-UHFFFAOYSA-N 1 2 414.690 5.866 50 0 HKAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615933 558794420 /nfs/dbraw/zinc/79/44/20/558794420.db2.gz XWDOUVMEMSDLPO-UHFFFAOYSA-N 1 2 410.271 5.222 50 0 HKAALO COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615955 558794395 /nfs/dbraw/zinc/79/43/95/558794395.db2.gz BIKMGGBJXZIOGB-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615956 558794466 /nfs/dbraw/zinc/79/44/66/558794466.db2.gz KGPGOPJLIKWEIK-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc(Br)cc2)cc1OC ZINC000035615991 558794517 /nfs/dbraw/zinc/79/45/17/558794517.db2.gz VVKNXRLORPXAGT-UHFFFAOYSA-N 1 2 424.298 5.525 50 0 HKAALO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1Nc1ccc(Br)cc1 ZINC000035615993 558794441 /nfs/dbraw/zinc/79/44/41/558794441.db2.gz AFOYJNVVBWPFSS-UHFFFAOYSA-N 1 2 414.690 5.866 50 0 HKAALO COc1ccccc1Nc1c(-c2ccc(OC)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000035616002 558794510 /nfs/dbraw/zinc/79/45/10/558794510.db2.gz JTEGYVQIKFUEHB-UHFFFAOYSA-N 1 2 409.873 5.424 50 0 HKAALO COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000035616053 558794404 /nfs/dbraw/zinc/79/44/04/558794404.db2.gz AJVVPBIJZLQTHP-UHFFFAOYSA-N 1 2 420.900 5.251 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2cccc(Cl)c2)ccc1O ZINC000035616115 558794435 /nfs/dbraw/zinc/79/44/35/558794435.db2.gz OGCSTZUZEMDOBQ-UHFFFAOYSA-N 1 2 400.265 5.766 50 0 HKAALO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2cccc(Cl)c2)cc1OC ZINC000035616170 558794485 /nfs/dbraw/zinc/79/44/85/558794485.db2.gz YRVFEGHEVHZQPI-UHFFFAOYSA-N 1 2 414.292 6.069 50 0 HKAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2cccc(Cl)c2C)ccc1O ZINC000035616272 558794473 /nfs/dbraw/zinc/79/44/73/558794473.db2.gz UPSQKYKKGNRJBM-UHFFFAOYSA-N 1 2 414.292 6.074 50 0 HKAALO COc1ccccc1Nc1c(-c2cc(Br)ccc2O)[nH+]c2ccccn21 ZINC000035616320 558794675 /nfs/dbraw/zinc/79/46/75/558794675.db2.gz JSTBRPMLTBRMSY-UHFFFAOYSA-N 1 2 410.271 5.222 50 0 HKAALO Cc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3cccc(C)n32)cc1Br ZINC000035616352 558794637 /nfs/dbraw/zinc/79/46/37/558794637.db2.gz YFHITJKOJAKWAN-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO COc1ccccc1Nc1c(-c2cc(Br)ccc2O)[nH+]c2ccc(C)cn21 ZINC000035616369 569357925 /nfs/dbraw/zinc/35/79/25/569357925.db2.gz AKYIZBSTJZCXPK-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc(C)c(Br)c2)ccc1O ZINC000035616380 558794647 /nfs/dbraw/zinc/79/46/47/558794647.db2.gz AUCZFPYQNIRLRQ-UHFFFAOYSA-N 1 2 424.298 5.530 50 0 HKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(O)c1)c2Nc1ccc(C)c(Br)c1 ZINC000035616382 569357988 /nfs/dbraw/zinc/35/79/88/569357988.db2.gz SKWCZSGMOKFNMY-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO Cc1ccn2c(c1)[nH+]c(-c1ccccc1O)c2Nc1ccc(C)cc1Br ZINC000035616444 558794715 /nfs/dbraw/zinc/79/47/15/558794715.db2.gz JSYVVMFLLPPNDR-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO Cc1ccc2[nH+]c(-c3cccc(O)c3)c(Nc3ccc(C)c(Br)c3)n2c1 ZINC000035616453 558794694 /nfs/dbraw/zinc/79/46/94/558794694.db2.gz CNMTXVTVLCOPQZ-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3ccc(C)cn32)c(Br)c1 ZINC000035616457 558794700 /nfs/dbraw/zinc/79/47/00/558794700.db2.gz JKCJASYZEQFJOX-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3cccc(C)n32)c(Br)c1 ZINC000035616571 569357932 /nfs/dbraw/zinc/35/79/32/569357932.db2.gz ARTCXGXJNHRRHF-UHFFFAOYSA-N 1 2 408.299 5.830 50 0 HKAALO Clc1ccc2[nH+]c(-c3cccs3)c(Nc3ccc(Br)cc3)n2c1 ZINC000035622076 569046569 /nfs/dbraw/zinc/04/65/69/569046569.db2.gz JLKUDTLRBQREKB-UHFFFAOYSA-N 1 2 404.720 6.222 50 0 HKAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000035622995 558794706 /nfs/dbraw/zinc/79/47/06/558794706.db2.gz RMZOPPJWJONNRP-UHFFFAOYSA-N 1 2 419.956 5.135 50 0 HKAALO O=C1[C@H](c2ccccc2)[C@H](c2cccs2)[NH2+][C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941690 558796106 /nfs/dbraw/zinc/79/61/06/558796106.db2.gz UCZYTGZNLXWZAW-NVPYSNMXSA-N 1 2 415.583 6.332 50 0 HKAALO O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccccc1Cl ZINC000035964585 569069065 /nfs/dbraw/zinc/06/90/65/569069065.db2.gz WROFEEKGQPMXAR-UHFFFAOYSA-N 1 2 423.875 5.160 50 0 HKAALO O=C(c1ccccc1F)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccccc1Cl ZINC000035973174 569069602 /nfs/dbraw/zinc/06/96/02/569069602.db2.gz LMGPOZGWIRJEDZ-UHFFFAOYSA-N 1 2 423.875 5.160 50 0 HKAALO CC(C)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000035973258 559189845 /nfs/dbraw/zinc/18/98/45/559189845.db2.gz KRAYDVUIXMTOQZ-UHFFFAOYSA-N 1 2 420.315 5.428 50 0 HKAALO CC(C)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F ZINC000035979641 569071730 /nfs/dbraw/zinc/07/17/30/569071730.db2.gz QSRHLUSZLACSMJ-UHFFFAOYSA-N 1 2 420.315 5.428 50 0 HKAALO CC(C)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(F)c1 ZINC000035979644 569071741 /nfs/dbraw/zinc/07/17/41/569071741.db2.gz YDRLKYRKCFKKAB-UHFFFAOYSA-N 1 2 420.315 5.428 50 0 HKAALO CCN(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000035979651 569071701 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O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035979796 559190025 /nfs/dbraw/zinc/19/00/25/559190025.db2.gz VVJUIHZWOCRBFX-UHFFFAOYSA-N 1 2 418.299 5.182 50 0 HKAALO O=C(c1cccs1)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000035979820 569071789 /nfs/dbraw/zinc/07/17/89/569071789.db2.gz ANABHIQNGYESAS-UHFFFAOYSA-N 1 2 420.365 5.352 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@H+](Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036063866 569085614 /nfs/dbraw/zinc/08/56/14/569085614.db2.gz WOXGCOAQUQNTOA-KRWDZBQOSA-N 1 2 411.933 5.230 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@@H+](Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036063866 569085615 /nfs/dbraw/zinc/08/56/15/569085615.db2.gz WOXGCOAQUQNTOA-KRWDZBQOSA-N 1 2 411.933 5.230 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@H+](Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000036063867 569085585 /nfs/dbraw/zinc/08/55/85/569085585.db2.gz WOXGCOAQUQNTOA-QGZVFWFLSA-N 1 2 411.933 5.230 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@@H+](Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000036063867 569085586 /nfs/dbraw/zinc/08/55/86/569085586.db2.gz WOXGCOAQUQNTOA-QGZVFWFLSA-N 1 2 411.933 5.230 50 0 HKAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073412 569086328 /nfs/dbraw/zinc/08/63/28/569086328.db2.gz RIRAYUZIKVHFDB-NRFANRHFSA-N 1 2 419.569 5.441 50 0 HKAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073412 569086329 /nfs/dbraw/zinc/08/63/29/569086329.db2.gz RIRAYUZIKVHFDB-NRFANRHFSA-N 1 2 419.569 5.441 50 0 HKAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)c1 ZINC000036073413 569086313 /nfs/dbraw/zinc/08/63/13/569086313.db2.gz RIRAYUZIKVHFDB-OAQYLSRUSA-N 1 2 419.569 5.441 50 0 HKAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)c1 ZINC000036073413 569086315 /nfs/dbraw/zinc/08/63/15/569086315.db2.gz RIRAYUZIKVHFDB-OAQYLSRUSA-N 1 2 419.569 5.441 50 0 HKAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073430 569086355 /nfs/dbraw/zinc/08/63/55/569086355.db2.gz GJEKVDOIINPEID-NRFANRHFSA-N 1 2 417.553 5.291 50 0 HKAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073430 569086356 /nfs/dbraw/zinc/08/63/56/569086356.db2.gz GJEKVDOIINPEID-NRFANRHFSA-N 1 2 417.553 5.291 50 0 HKAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073431 569086295 /nfs/dbraw/zinc/08/62/95/569086295.db2.gz GJEKVDOIINPEID-OAQYLSRUSA-N 1 2 417.553 5.291 50 0 HKAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073431 569086296 /nfs/dbraw/zinc/08/62/96/569086296.db2.gz GJEKVDOIINPEID-OAQYLSRUSA-N 1 2 417.553 5.291 50 0 HKAALO Cc1ccccc1C[N@@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073518 569086880 /nfs/dbraw/zinc/08/68/80/569086880.db2.gz VCZRMMBTEDULHJ-FQEVSTJZSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccccc1C[N@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073518 569086881 /nfs/dbraw/zinc/08/68/81/569086881.db2.gz VCZRMMBTEDULHJ-FQEVSTJZSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccccc1C[N@@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@H](C)c1ccccc1 ZINC000036073519 569086858 /nfs/dbraw/zinc/08/68/58/569086858.db2.gz VCZRMMBTEDULHJ-HXUWFJFHSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccccc1C[N@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@H](C)c1ccccc1 ZINC000036073519 569086859 /nfs/dbraw/zinc/08/68/59/569086859.db2.gz VCZRMMBTEDULHJ-HXUWFJFHSA-N 1 2 405.542 5.132 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073570 569086899 /nfs/dbraw/zinc/08/68/99/569086899.db2.gz FXEBLZNPWHSCLP-RTWAWAEBSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073570 569086900 /nfs/dbraw/zinc/08/69/00/569086900.db2.gz FXEBLZNPWHSCLP-RTWAWAEBSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073571 569086928 /nfs/dbraw/zinc/08/69/28/569086928.db2.gz FXEBLZNPWHSCLP-SFTDATJTSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073571 569086930 /nfs/dbraw/zinc/08/69/30/569086930.db2.gz FXEBLZNPWHSCLP-SFTDATJTSA-N 1 2 419.569 5.583 50 0 HKAALO CC(C)CNC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073693 569086711 /nfs/dbraw/zinc/08/67/11/569086711.db2.gz UTAXAQMGSXHEHO-UHFFFAOYSA-N 1 2 419.569 5.386 50 0 HKAALO CC(C)CNC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073693 569086712 /nfs/dbraw/zinc/08/67/12/569086712.db2.gz UTAXAQMGSXHEHO-UHFFFAOYSA-N 1 2 419.569 5.386 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073697 569086750 /nfs/dbraw/zinc/08/67/50/569086750.db2.gz INGPWKGISHASPB-UHFFFAOYSA-N 1 2 405.542 5.139 50 0 HKAALO CC(C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073697 569086751 /nfs/dbraw/zinc/08/67/51/569086751.db2.gz INGPWKGISHASPB-UHFFFAOYSA-N 1 2 405.542 5.139 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073698 569086767 /nfs/dbraw/zinc/08/67/67/569086767.db2.gz PUUMGOZZMVVLOZ-HXUWFJFHSA-N 1 2 419.569 5.529 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073698 569086768 /nfs/dbraw/zinc/08/67/68/569086768.db2.gz PUUMGOZZMVVLOZ-HXUWFJFHSA-N 1 2 419.569 5.529 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073699 569086725 /nfs/dbraw/zinc/08/67/25/569086725.db2.gz PUUMGOZZMVVLOZ-FQEVSTJZSA-N 1 2 419.569 5.529 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073699 569086726 /nfs/dbraw/zinc/08/67/26/569086726.db2.gz PUUMGOZZMVVLOZ-FQEVSTJZSA-N 1 2 419.569 5.529 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073731 569086941 /nfs/dbraw/zinc/08/69/41/569086941.db2.gz RGDYPVLKJBZLIL-HXUWFJFHSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073731 569086942 /nfs/dbraw/zinc/08/69/42/569086942.db2.gz RGDYPVLKJBZLIL-HXUWFJFHSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073732 569086945 /nfs/dbraw/zinc/08/69/45/569086945.db2.gz RGDYPVLKJBZLIL-FQEVSTJZSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073732 569086947 /nfs/dbraw/zinc/08/69/47/569086947.db2.gz RGDYPVLKJBZLIL-FQEVSTJZSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C)cc2C)n1 ZINC000036082905 569087383 /nfs/dbraw/zinc/08/73/83/569087383.db2.gz SVVLTGBWMKJRFO-HXUWFJFHSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C)cc2C)n1 ZINC000036082905 569087385 /nfs/dbraw/zinc/08/73/85/569087385.db2.gz SVVLTGBWMKJRFO-HXUWFJFHSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C)cc2C)n1 ZINC000036082906 569087335 /nfs/dbraw/zinc/08/73/35/569087335.db2.gz SVVLTGBWMKJRFO-FQEVSTJZSA-N 1 2 405.542 5.022 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C)cc2C)n1 ZINC000036082906 569087336 /nfs/dbraw/zinc/08/73/36/569087336.db2.gz SVVLTGBWMKJRFO-FQEVSTJZSA-N 1 2 405.542 5.022 50 0 HKAALO CC(C)[N@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036082991 569087391 /nfs/dbraw/zinc/08/73/91/569087391.db2.gz QKRZNGGZUAIOMD-UHFFFAOYSA-N 1 2 419.569 5.313 50 0 HKAALO CC(C)[N@@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036082991 569087393 /nfs/dbraw/zinc/08/73/93/569087393.db2.gz QKRZNGGZUAIOMD-UHFFFAOYSA-N 1 2 419.569 5.313 50 0 HKAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036095970 569090047 /nfs/dbraw/zinc/09/00/47/569090047.db2.gz RWUUYEFLSSWUDM-TXPKVOOTSA-N 1 2 422.554 5.132 50 0 HKAALO Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036343513 569142840 /nfs/dbraw/zinc/14/28/40/569142840.db2.gz YEDQWMRKGPVIMO-MHZLTWQESA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000036343513 569142841 /nfs/dbraw/zinc/14/28/41/569142841.db2.gz YEDQWMRKGPVIMO-MHZLTWQESA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036343516 569143064 /nfs/dbraw/zinc/14/30/64/569143064.db2.gz YEDQWMRKGPVIMO-HHHXNRCGSA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000036343516 569143065 /nfs/dbraw/zinc/14/30/65/569143065.db2.gz YEDQWMRKGPVIMO-HHHXNRCGSA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCc4ccccc4C3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036345567 569143201 /nfs/dbraw/zinc/14/32/01/569143201.db2.gz JSMYUJOYBCSUDN-MHZLTWQESA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCc4ccccc4C3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036345567 569143202 /nfs/dbraw/zinc/14/32/02/569143202.db2.gz JSMYUJOYBCSUDN-MHZLTWQESA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCc4ccccc4C3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036345568 569143217 /nfs/dbraw/zinc/14/32/17/569143217.db2.gz JSMYUJOYBCSUDN-HHHXNRCGSA-N 1 2 423.560 5.039 50 0 HKAALO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCc4ccccc4C3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036345568 569143218 /nfs/dbraw/zinc/14/32/18/569143218.db2.gz JSMYUJOYBCSUDN-HHHXNRCGSA-N 1 2 423.560 5.039 50 0 HKAALO Clc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347472 569143994 /nfs/dbraw/zinc/14/39/94/569143994.db2.gz LPRUPTJQKYWLSU-NRFANRHFSA-N 1 2 405.756 6.444 50 0 HKAALO Clc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347472 569143995 /nfs/dbraw/zinc/14/39/95/569143995.db2.gz LPRUPTJQKYWLSU-NRFANRHFSA-N 1 2 405.756 6.444 50 0 HKAALO Clc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347473 569143941 /nfs/dbraw/zinc/14/39/41/569143941.db2.gz LPRUPTJQKYWLSU-OAQYLSRUSA-N 1 2 405.756 6.444 50 0 HKAALO Clc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347473 569143943 /nfs/dbraw/zinc/14/39/43/569143943.db2.gz LPRUPTJQKYWLSU-OAQYLSRUSA-N 1 2 405.756 6.444 50 0 HKAALO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000036347542 569144148 /nfs/dbraw/zinc/14/41/48/569144148.db2.gz ZEJTVFYLKNEHDE-NRFANRHFSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000036347542 569144149 /nfs/dbraw/zinc/14/41/49/569144149.db2.gz ZEJTVFYLKNEHDE-NRFANRHFSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000036347543 569144270 /nfs/dbraw/zinc/14/42/70/569144270.db2.gz ZEJTVFYLKNEHDE-OAQYLSRUSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000036347543 569144272 /nfs/dbraw/zinc/14/42/72/569144272.db2.gz ZEJTVFYLKNEHDE-OAQYLSRUSA-N 1 2 404.863 6.156 50 0 HKAALO Fc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348649 569144508 /nfs/dbraw/zinc/14/45/08/569144508.db2.gz JSGSXCXZIBXEDN-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348649 569144509 /nfs/dbraw/zinc/14/45/09/569144509.db2.gz JSGSXCXZIBXEDN-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348651 569144529 /nfs/dbraw/zinc/14/45/29/569144529.db2.gz JSGSXCXZIBXEDN-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348651 569144530 /nfs/dbraw/zinc/14/45/30/569144530.db2.gz JSGSXCXZIBXEDN-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348664 569144499 /nfs/dbraw/zinc/14/44/99/569144499.db2.gz JDMBNIRJZQAHDS-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348664 569144500 /nfs/dbraw/zinc/14/45/00/569144500.db2.gz JDMBNIRJZQAHDS-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348665 569144613 /nfs/dbraw/zinc/14/46/13/569144613.db2.gz JDMBNIRJZQAHDS-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348665 569144615 /nfs/dbraw/zinc/14/46/15/569144615.db2.gz JDMBNIRJZQAHDS-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000036370415 569154148 /nfs/dbraw/zinc/15/41/48/569154148.db2.gz RWUUYEFLSSWUDM-JTDSTZFVSA-N 1 2 422.554 5.132 50 0 HKAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000036370415 569154149 /nfs/dbraw/zinc/15/41/49/569154149.db2.gz RWUUYEFLSSWUDM-JTDSTZFVSA-N 1 2 422.554 5.132 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036386078 569159650 /nfs/dbraw/zinc/15/96/50/569159650.db2.gz NWRFJECEBYIJPQ-JKSUJKDBSA-N 1 2 411.596 5.207 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036386078 569159652 /nfs/dbraw/zinc/15/96/52/569159652.db2.gz NWRFJECEBYIJPQ-JKSUJKDBSA-N 1 2 411.596 5.207 50 0 HKAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000036391681 569167272 /nfs/dbraw/zinc/16/72/72/569167272.db2.gz HFVGHZOICGAENV-UHFFFAOYSA-N 1 2 419.488 5.036 50 0 HKAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000036396659 569169831 /nfs/dbraw/zinc/16/98/31/569169831.db2.gz HDENJHIMZPPPQU-ZDUSSCGKSA-N 1 2 401.388 5.695 50 0 HKAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000036396659 569169833 /nfs/dbraw/zinc/16/98/33/569169833.db2.gz HDENJHIMZPPPQU-ZDUSSCGKSA-N 1 2 401.388 5.695 50 0 HKAALO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000036396660 569169824 /nfs/dbraw/zinc/16/98/24/569169824.db2.gz HDENJHIMZPPPQU-CYBMUJFWSA-N 1 2 401.388 5.695 50 0 HKAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000036396660 569169826 /nfs/dbraw/zinc/16/98/26/569169826.db2.gz HDENJHIMZPPPQU-CYBMUJFWSA-N 1 2 401.388 5.695 50 0 HKAALO CSc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398691 569171714 /nfs/dbraw/zinc/17/17/14/569171714.db2.gz BQUMUNVHGDLYFP-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398691 569171715 /nfs/dbraw/zinc/17/17/15/569171715.db2.gz BQUMUNVHGDLYFP-FQEVSTJZSA-N 1 2 400.594 5.118 50 0 HKAALO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398710 569171727 /nfs/dbraw/zinc/17/17/27/569171727.db2.gz YTNALBCSZGFTBD-QHCPKHFHSA-N 1 2 410.608 5.521 50 0 HKAALO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398710 569171728 /nfs/dbraw/zinc/17/17/28/569171728.db2.gz YTNALBCSZGFTBD-QHCPKHFHSA-N 1 2 410.608 5.521 50 0 HKAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1Cl ZINC000036398720 569171701 /nfs/dbraw/zinc/17/17/01/569171701.db2.gz OLHURBCSVXANHG-FQEVSTJZSA-N 1 2 418.971 5.058 50 0 HKAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1Cl ZINC000036398720 569171702 /nfs/dbraw/zinc/17/17/02/569171702.db2.gz OLHURBCSVXANHG-FQEVSTJZSA-N 1 2 418.971 5.058 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398723 569171680 /nfs/dbraw/zinc/17/16/80/569171680.db2.gz ZVUMSGMZYQIWMQ-QHCPKHFHSA-N 1 2 410.608 5.828 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036398723 569171681 /nfs/dbraw/zinc/17/16/81/569171681.db2.gz ZVUMSGMZYQIWMQ-QHCPKHFHSA-N 1 2 410.608 5.828 50 0 HKAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446806 558999724 /nfs/dbraw/zinc/99/97/24/558999724.db2.gz WNZIILVMBVEYLL-HXUWFJFHSA-N 1 2 402.972 5.358 50 0 HKAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446806 558999726 /nfs/dbraw/zinc/99/97/26/558999726.db2.gz WNZIILVMBVEYLL-HXUWFJFHSA-N 1 2 402.972 5.358 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446830 569185146 /nfs/dbraw/zinc/18/51/46/569185146.db2.gz STASXNQJSJHXIV-HXUWFJFHSA-N 1 2 418.971 5.058 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446830 569185147 /nfs/dbraw/zinc/18/51/47/569185147.db2.gz STASXNQJSJHXIV-HXUWFJFHSA-N 1 2 418.971 5.058 50 0 HKAALO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446957 569185129 /nfs/dbraw/zinc/18/51/29/569185129.db2.gz JGSALTHINICRFQ-HXUWFJFHSA-N 1 2 402.972 5.358 50 0 HKAALO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036446957 569185130 /nfs/dbraw/zinc/18/51/30/569185130.db2.gz JGSALTHINICRFQ-HXUWFJFHSA-N 1 2 402.972 5.358 50 0 HKAALO CC1CC[NH+](Cc2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)CC1 ZINC000036652262 569216664 /nfs/dbraw/zinc/21/66/64/569216664.db2.gz LPADLWRZRUVGIU-UHFFFAOYSA-N 1 2 423.966 5.635 50 0 HKAALO Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cn3ccccc3[nH+]2)nn1 ZINC000036652430 569216688 /nfs/dbraw/zinc/21/66/88/569216688.db2.gz CITXBZGVQDNMEY-UHFFFAOYSA-N 1 2 421.576 5.577 50 0 HKAALO CSc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036869799 569231216 /nfs/dbraw/zinc/23/12/16/569231216.db2.gz BQUMUNVHGDLYFP-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CSc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036869799 569231215 /nfs/dbraw/zinc/23/12/15/569231215.db2.gz BQUMUNVHGDLYFP-HXUWFJFHSA-N 1 2 400.594 5.118 50 0 HKAALO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208940 569240260 /nfs/dbraw/zinc/24/02/60/569240260.db2.gz YTNALBCSZGFTBD-HSZRJFAPSA-N 1 2 410.608 5.521 50 0 HKAALO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208940 569240261 /nfs/dbraw/zinc/24/02/61/569240261.db2.gz YTNALBCSZGFTBD-HSZRJFAPSA-N 1 2 410.608 5.521 50 0 HKAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1Cl ZINC000037208957 569240281 /nfs/dbraw/zinc/24/02/81/569240281.db2.gz OLHURBCSVXANHG-HXUWFJFHSA-N 1 2 418.971 5.058 50 0 HKAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1Cl ZINC000037208957 569240282 /nfs/dbraw/zinc/24/02/82/569240282.db2.gz OLHURBCSVXANHG-HXUWFJFHSA-N 1 2 418.971 5.058 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208963 569240232 /nfs/dbraw/zinc/24/02/32/569240232.db2.gz ZVUMSGMZYQIWMQ-HSZRJFAPSA-N 1 2 410.608 5.828 50 0 HKAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208963 569240233 /nfs/dbraw/zinc/24/02/33/569240233.db2.gz ZVUMSGMZYQIWMQ-HSZRJFAPSA-N 1 2 410.608 5.828 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210469 569240471 /nfs/dbraw/zinc/24/04/71/569240471.db2.gz STASXNQJSJHXIV-FQEVSTJZSA-N 1 2 418.971 5.058 50 0 HKAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210469 569240472 /nfs/dbraw/zinc/24/04/72/569240472.db2.gz STASXNQJSJHXIV-FQEVSTJZSA-N 1 2 418.971 5.058 50 0 HKAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210470 569240424 /nfs/dbraw/zinc/24/04/24/569240424.db2.gz WNZIILVMBVEYLL-FQEVSTJZSA-N 1 2 402.972 5.358 50 0 HKAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210470 569240426 /nfs/dbraw/zinc/24/04/26/569240426.db2.gz WNZIILVMBVEYLL-FQEVSTJZSA-N 1 2 402.972 5.358 50 0 HKAALO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210502 569240486 /nfs/dbraw/zinc/24/04/86/569240486.db2.gz JGSALTHINICRFQ-FQEVSTJZSA-N 1 2 402.972 5.358 50 0 HKAALO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037210502 569240487 /nfs/dbraw/zinc/24/04/87/569240487.db2.gz JGSALTHINICRFQ-FQEVSTJZSA-N 1 2 402.972 5.358 50 0 HKAALO CCC[C@@H](C(=O)NCC(C)C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037396957 558804962 /nfs/dbraw/zinc/80/49/62/558804962.db2.gz PPHJHGHPPCPHFL-QFIPXVFZSA-N 1 2 409.549 5.496 50 0 HKAALO CCC[C@H](C(=O)NCC(C)C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037396958 558804924 /nfs/dbraw/zinc/80/49/24/558804924.db2.gz PPHJHGHPPCPHFL-JOCHJYFZSA-N 1 2 409.549 5.496 50 0 HKAALO CCCNC(=O)[C@H](CCC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037397647 569296818 /nfs/dbraw/zinc/29/68/18/569296818.db2.gz BNNFLZRCPLXIIR-NRFANRHFSA-N 1 2 411.977 5.765 50 0 HKAALO CCCNC(=O)[C@@H](CCC)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037397648 569296760 /nfs/dbraw/zinc/29/67/60/569296760.db2.gz BNNFLZRCPLXIIR-OAQYLSRUSA-N 1 2 411.977 5.765 50 0 HKAALO Cc1cccc(NC(=O)CCn2c3cc(C)c(C)cc3[nH+]c2Cc2ccc(F)cc2)c1 ZINC000037397942 569297047 /nfs/dbraw/zinc/29/70/47/569297047.db2.gz JFUGRGKAVXDROO-UHFFFAOYSA-N 1 2 415.512 5.720 50 0 HKAALO CC[C@@H](C(=O)N1CCCC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398295 569296935 /nfs/dbraw/zinc/29/69/35/569296935.db2.gz DMGOHRVYLLCZNA-NRFANRHFSA-N 1 2 409.961 5.471 50 0 HKAALO CC[C@H](C(=O)N1CCCC1)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398296 569296887 /nfs/dbraw/zinc/29/68/87/569296887.db2.gz DMGOHRVYLLCZNA-OAQYLSRUSA-N 1 2 409.961 5.471 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CCC(=O)NCc3ccco3)c2cc1C ZINC000037398310 569296948 /nfs/dbraw/zinc/29/69/48/569296948.db2.gz FHWURMZBGWMKCU-UHFFFAOYSA-N 1 2 421.928 5.197 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccccc3)n(Cc3ccc(C(=O)NC4CC4)cc3)c2cc1C ZINC000037398495 569296983 /nfs/dbraw/zinc/29/69/83/569296983.db2.gz WNUGRVXOOHAIMA-UHFFFAOYSA-N 1 2 409.533 5.184 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccc(Cl)c(Cl)c3)n(CC(=O)NC(C)C)c2cc1C ZINC000037398501 569297017 /nfs/dbraw/zinc/29/70/17/569297017.db2.gz NQSIVWKMRLMBGB-UHFFFAOYSA-N 1 2 404.341 5.075 50 0 HKAALO CCCN(C)C(=O)Cn1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(Cl)c(Cl)c1 ZINC000037398502 569296989 /nfs/dbraw/zinc/29/69/89/569296989.db2.gz CVEHBPPYKSRAEF-UHFFFAOYSA-N 1 2 418.368 5.419 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NC3CC3)c2cc1C ZINC000037398509 569297004 /nfs/dbraw/zinc/29/70/04/569297004.db2.gz VCCDMPQARUOFEO-UHFFFAOYSA-N 1 2 416.352 5.219 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccccc3)n(Cc3ccc(C(=O)N4CCCC4)cc3)c2cc1C ZINC000037398847 569297267 /nfs/dbraw/zinc/29/72/67/569297267.db2.gz YBBRJJASCQHMJR-UHFFFAOYSA-N 1 2 423.560 5.528 50 0 HKAALO CCCNC(=O)CCn1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(Cl)cc1Cl ZINC000037398851 569297225 /nfs/dbraw/zinc/29/72/25/569297225.db2.gz VPUCJXREIQJROK-UHFFFAOYSA-N 1 2 418.368 5.467 50 0 HKAALO Cc1cc2[nH+]c(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NC(C)C)c2cc1C ZINC000037398865 569297265 /nfs/dbraw/zinc/29/72/65/569297265.db2.gz ANSJUGPNKNTSJH-UHFFFAOYSA-N 1 2 418.368 5.465 50 0 HKAALO CCCNC(=O)Cn1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(Cl)c(Cl)c1 ZINC000037398998 569297395 /nfs/dbraw/zinc/29/73/95/569297395.db2.gz BMEPIBDDHMHAFA-UHFFFAOYSA-N 1 2 404.341 5.077 50 0 HKAALO Fc1cccc(F)c1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522235 569303205 /nfs/dbraw/zinc/30/32/05/569303205.db2.gz TVRDWVYSNBSXGT-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1cccc(F)c1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522235 569303206 /nfs/dbraw/zinc/30/32/06/569303206.db2.gz TVRDWVYSNBSXGT-NRFANRHFSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1cccc(F)c1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522236 569303152 /nfs/dbraw/zinc/30/31/52/569303152.db2.gz TVRDWVYSNBSXGT-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1cccc(F)c1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522236 569303153 /nfs/dbraw/zinc/30/31/53/569303153.db2.gz TVRDWVYSNBSXGT-OAQYLSRUSA-N 1 2 406.398 5.780 50 0 HKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)cc1Cl ZINC000037522269 569303176 /nfs/dbraw/zinc/30/31/76/569303176.db2.gz DBPGAKUFQWNZJQ-OAQYLSRUSA-N 1 2 422.853 6.295 50 0 HKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)cc1Cl ZINC000037522269 569303177 /nfs/dbraw/zinc/30/31/77/569303177.db2.gz DBPGAKUFQWNZJQ-OAQYLSRUSA-N 1 2 422.853 6.295 50 0 HKAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)cc1Cl ZINC000037522270 569303180 /nfs/dbraw/zinc/30/31/80/569303180.db2.gz DBPGAKUFQWNZJQ-NRFANRHFSA-N 1 2 422.853 6.295 50 0 HKAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)cc1Cl ZINC000037522270 569303181 /nfs/dbraw/zinc/30/31/81/569303181.db2.gz DBPGAKUFQWNZJQ-NRFANRHFSA-N 1 2 422.853 6.295 50 0 HKAALO FC(F)(F)c1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000037523125 569303412 /nfs/dbraw/zinc/30/34/12/569303412.db2.gz WJEUVTOSGCHDEO-OAQYLSRUSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000037523125 569303414 /nfs/dbraw/zinc/30/34/14/569303414.db2.gz WJEUVTOSGCHDEO-OAQYLSRUSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000037523126 569303425 /nfs/dbraw/zinc/30/34/25/569303425.db2.gz WJEUVTOSGCHDEO-NRFANRHFSA-N 1 2 404.863 6.156 50 0 HKAALO FC(F)(F)c1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000037523126 569303426 /nfs/dbraw/zinc/30/34/26/569303426.db2.gz WJEUVTOSGCHDEO-NRFANRHFSA-N 1 2 404.863 6.156 50 0 HKAALO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037523529 569303606 /nfs/dbraw/zinc/30/36/06/569303606.db2.gz KDSFDDHNVNZUQW-QFIPXVFZSA-N 1 2 400.444 5.511 50 0 HKAALO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037523529 569303607 /nfs/dbraw/zinc/30/36/07/569303607.db2.gz KDSFDDHNVNZUQW-QFIPXVFZSA-N 1 2 400.444 5.511 50 0 HKAALO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037523530 569303647 /nfs/dbraw/zinc/30/36/47/569303647.db2.gz KDSFDDHNVNZUQW-JOCHJYFZSA-N 1 2 400.444 5.511 50 0 HKAALO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037523530 569303648 /nfs/dbraw/zinc/30/36/48/569303648.db2.gz KDSFDDHNVNZUQW-JOCHJYFZSA-N 1 2 400.444 5.511 50 0 HKAALO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037559570 569306800 /nfs/dbraw/zinc/30/68/00/569306800.db2.gz TYBODUSGHCYYQP-UHFFFAOYSA-N 1 2 424.466 5.415 50 0 HKAALO O=C(c1ccc(F)cc1)N(c1ccccc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037559860 569306822 /nfs/dbraw/zinc/30/68/22/569306822.db2.gz AFJRUFRUZBVKTJ-UHFFFAOYSA-N 1 2 424.466 5.415 50 0 HKAALO O=C(c1cccs1)N(c1ccccc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037559870 569306827 /nfs/dbraw/zinc/30/68/27/569306827.db2.gz MAJDZZSETODNQM-UHFFFAOYSA-N 1 2 412.505 5.338 50 0 HKAALO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037559917 569306979 /nfs/dbraw/zinc/30/69/79/569306979.db2.gz RZLSJZNUOYOQGB-UHFFFAOYSA-N 1 2 404.476 5.148 50 0 HKAALO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037560244 569306933 /nfs/dbraw/zinc/30/69/33/569306933.db2.gz VUGPEFYITKYHML-UHFFFAOYSA-N 1 2 406.476 5.276 50 0 HKAALO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000037560504 569307064 /nfs/dbraw/zinc/30/70/64/569307064.db2.gz CHODCBJWOMUHHX-UHFFFAOYSA-N 1 2 416.512 5.017 50 0 HKAALO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037572189 569307429 /nfs/dbraw/zinc/30/74/29/569307429.db2.gz RZDLBJFFGGPKBT-UHFFFAOYSA-N 1 2 404.476 5.210 50 0 HKAALO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC000037580766 569308135 /nfs/dbraw/zinc/30/81/35/569308135.db2.gz DEHXSYVDLGTXDN-UHFFFAOYSA-N 1 2 400.513 5.181 50 0 HKAALO CCCCc1[nH+]c2ccccc2n1CC(=O)N(COCC)c1c(C)cccc1CC ZINC000037868062 569404337 /nfs/dbraw/zinc/40/43/37/569404337.db2.gz ZKLZMUFJSTUGNM-UHFFFAOYSA-N 1 2 407.558 5.277 50 0 HKAALO CCOCN(C(=O)Cn1c(CC(C)C)[nH+]c2ccccc21)c1c(C)cccc1CC ZINC000037868063 569404260 /nfs/dbraw/zinc/40/42/60/569404260.db2.gz CSPJIXBZEHGBMP-UHFFFAOYSA-N 1 2 407.558 5.133 50 0 HKAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)Cc2ccc(SC(C)C)cc2)CC1 ZINC000038533749 568998149 /nfs/dbraw/zinc/99/81/49/568998149.db2.gz MOBOEAMDXRBOIH-UHFFFAOYSA-N 1 2 421.610 5.327 50 0 HKAALO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)[NH+]2CCOCC2)c1C ZINC000038546066 569000053 /nfs/dbraw/zinc/00/00/53/569000053.db2.gz JBKQABOTHBCBNW-HXUWFJFHSA-N 1 2 412.580 5.100 50 0 HKAALO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)[NH+]2CCOCC2)c1C ZINC000038546067 568999955 /nfs/dbraw/zinc/99/99/55/568999955.db2.gz JBKQABOTHBCBNW-FQEVSTJZSA-N 1 2 412.580 5.100 50 0 HKAALO Cc1cc([C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546155 568999983 /nfs/dbraw/zinc/99/99/83/568999983.db2.gz SNGADZIUIQVPPB-JOCHJYFZSA-N 1 2 424.566 5.447 50 0 HKAALO Cc1cc([C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546156 568999971 /nfs/dbraw/zinc/99/99/71/568999971.db2.gz SNGADZIUIQVPPB-QFIPXVFZSA-N 1 2 424.566 5.447 50 0 HKAALO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)[NH+]2CCOCC2)c1C ZINC000038546697 569000537 /nfs/dbraw/zinc/00/05/37/569000537.db2.gz FUCQXKZAWDHBGB-GOSISDBHSA-N 1 2 418.609 5.162 50 0 HKAALO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)[NH+]2CCOCC2)c1C ZINC000038546698 569000521 /nfs/dbraw/zinc/00/05/21/569000521.db2.gz FUCQXKZAWDHBGB-SFHVURJKSA-N 1 2 418.609 5.162 50 0 HKAALO COc1ccc([C@@H](Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546896 558812806 /nfs/dbraw/zinc/81/28/06/558812806.db2.gz INXCYDLRQSEIHR-OAQYLSRUSA-N 1 2 419.506 5.507 50 0 HKAALO COc1ccc([C@H](Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546898 558812894 /nfs/dbraw/zinc/81/28/94/558812894.db2.gz INXCYDLRQSEIHR-NRFANRHFSA-N 1 2 419.506 5.507 50 0 HKAALO COc1cccc([C@@H](Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546904 558812833 /nfs/dbraw/zinc/81/28/33/558812833.db2.gz KIUFHCBPRCIOHY-OAQYLSRUSA-N 1 2 419.506 5.507 50 0 HKAALO COc1cccc([C@H](Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546905 558812885 /nfs/dbraw/zinc/81/28/85/558812885.db2.gz KIUFHCBPRCIOHY-NRFANRHFSA-N 1 2 419.506 5.507 50 0 HKAALO COc1ccccc1[C@@H](Nc1cccc[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546915 558812881 /nfs/dbraw/zinc/81/28/81/558812881.db2.gz AVXXAADDLRTNIQ-OAQYLSRUSA-N 1 2 419.506 5.507 50 0 HKAALO COc1ccccc1[C@H](Nc1cccc[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546917 558812800 /nfs/dbraw/zinc/81/28/00/558812800.db2.gz AVXXAADDLRTNIQ-NRFANRHFSA-N 1 2 419.506 5.507 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546926 558812790 /nfs/dbraw/zinc/81/27/90/558812790.db2.gz ZSZYFJUDOOMBEO-HXUWFJFHSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546928 558812770 /nfs/dbraw/zinc/81/27/70/558812770.db2.gz ZSZYFJUDOOMBEO-FQEVSTJZSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546937 558812837 /nfs/dbraw/zinc/81/28/37/558812837.db2.gz MLEUDMMTMLNYEM-HXUWFJFHSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546939 558812859 /nfs/dbraw/zinc/81/28/59/558812859.db2.gz MLEUDMMTMLNYEM-FQEVSTJZSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546949 558812843 /nfs/dbraw/zinc/81/28/43/558812843.db2.gz VJEAWMQOELYRJF-HXUWFJFHSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546951 558812784 /nfs/dbraw/zinc/81/27/84/558812784.db2.gz VJEAWMQOELYRJF-FQEVSTJZSA-N 1 2 423.925 6.152 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546961 558812840 /nfs/dbraw/zinc/81/28/40/558812840.db2.gz DFZVAUYWWMLMJP-HXUWFJFHSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546963 558812811 /nfs/dbraw/zinc/81/28/11/558812811.db2.gz DFZVAUYWWMLMJP-FQEVSTJZSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546972 558812862 /nfs/dbraw/zinc/81/28/62/558812862.db2.gz ZBAJTOCCPQKNMI-HXUWFJFHSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546974 558812823 /nfs/dbraw/zinc/81/28/23/558812823.db2.gz ZBAJTOCCPQKNMI-FQEVSTJZSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546981 558812877 /nfs/dbraw/zinc/81/28/77/558812877.db2.gz ASQFZQMTKNLEPW-HXUWFJFHSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546982 558813021 /nfs/dbraw/zinc/81/30/21/558813021.db2.gz ASQFZQMTKNLEPW-FQEVSTJZSA-N 1 2 407.470 5.637 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547002 558813051 /nfs/dbraw/zinc/81/30/51/558813051.db2.gz JISAIVQOUFBKKW-NRFANRHFSA-N 1 2 403.507 5.807 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547003 558813040 /nfs/dbraw/zinc/81/30/40/558813040.db2.gz JISAIVQOUFBKKW-OAQYLSRUSA-N 1 2 403.507 5.807 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000038547044 569000518 /nfs/dbraw/zinc/00/05/18/569000518.db2.gz OWWPLQZWEVKXHV-HSZRJFAPSA-N 1 2 413.546 6.159 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000038547045 569000437 /nfs/dbraw/zinc/00/04/37/569000437.db2.gz OWWPLQZWEVKXHV-QHCPKHFHSA-N 1 2 413.546 6.159 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000038547050 569000548 /nfs/dbraw/zinc/00/05/48/569000548.db2.gz BHFSBGHKIZMHBE-QFIPXVFZSA-N 1 2 414.534 5.554 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000038547052 569000373 /nfs/dbraw/zinc/00/03/73/569000373.db2.gz BHFSBGHKIZMHBE-JOCHJYFZSA-N 1 2 414.534 5.554 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000038547058 569000406 /nfs/dbraw/zinc/00/04/06/569000406.db2.gz NLEVZCLTTGDNHS-JOCHJYFZSA-N 1 2 414.534 5.554 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000038547060 569000551 /nfs/dbraw/zinc/00/05/51/569000551.db2.gz NLEVZCLTTGDNHS-QFIPXVFZSA-N 1 2 414.534 5.554 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547075 569000421 /nfs/dbraw/zinc/00/04/21/569000421.db2.gz FBOUILAKTSFROQ-NRFANRHFSA-N 1 2 419.575 6.221 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547078 569000429 /nfs/dbraw/zinc/00/04/29/569000429.db2.gz FBOUILAKTSFROQ-OAQYLSRUSA-N 1 2 419.575 6.221 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547088 569000416 /nfs/dbraw/zinc/00/04/16/569000416.db2.gz OQKUVWVLQQLRDR-OAQYLSRUSA-N 1 2 403.507 5.752 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547089 569000516 /nfs/dbraw/zinc/00/05/16/569000516.db2.gz OQKUVWVLQQLRDR-NRFANRHFSA-N 1 2 403.507 5.752 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccccn2)c1C ZINC000038547599 569000378 /nfs/dbraw/zinc/00/03/78/569000378.db2.gz SDPUNJJBHYEWNR-HXUWFJFHSA-N 1 2 404.495 5.202 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccccn2)c1C ZINC000038547601 569000512 /nfs/dbraw/zinc/00/05/12/569000512.db2.gz SDPUNJJBHYEWNR-FQEVSTJZSA-N 1 2 404.495 5.202 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2cccnc2)c1C ZINC000038547611 569000425 /nfs/dbraw/zinc/00/04/25/569000425.db2.gz YKICJJRLZFFETB-HXUWFJFHSA-N 1 2 404.495 5.202 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2cccnc2)c1C ZINC000038547613 569000544 /nfs/dbraw/zinc/00/05/44/569000544.db2.gz YKICJJRLZFFETB-FQEVSTJZSA-N 1 2 404.495 5.202 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2cccs2)c1C ZINC000038547720 569000565 /nfs/dbraw/zinc/00/05/65/569000565.db2.gz IZACOCLFXOGDQD-LJQANCHMSA-N 1 2 409.536 5.868 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2cccs2)c1C ZINC000038547722 569000383 /nfs/dbraw/zinc/00/03/83/569000383.db2.gz IZACOCLFXOGDQD-IBGZPJMESA-N 1 2 409.536 5.868 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc[nH+]2)c2ccsc2)c1C ZINC000038547732 569000562 /nfs/dbraw/zinc/00/05/62/569000562.db2.gz DXNQPNYZFPSSGU-LJQANCHMSA-N 1 2 409.536 5.868 50 0 HKAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccsc2)c1C ZINC000038547734 569000446 /nfs/dbraw/zinc/00/04/46/569000446.db2.gz DXNQPNYZFPSSGU-IBGZPJMESA-N 1 2 409.536 5.868 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547766 569000636 /nfs/dbraw/zinc/00/06/36/569000636.db2.gz HZAOFRXGLPSCBK-OAQYLSRUSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547768 569000725 /nfs/dbraw/zinc/00/07/25/569000725.db2.gz HZAOFRXGLPSCBK-NRFANRHFSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547778 569000653 /nfs/dbraw/zinc/00/06/53/569000653.db2.gz IWHSFDCOUFUQES-OAQYLSRUSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547780 569000694 /nfs/dbraw/zinc/00/06/94/569000694.db2.gz IWHSFDCOUFUQES-NRFANRHFSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547790 569000707 /nfs/dbraw/zinc/00/07/07/569000707.db2.gz MPKZUBRPBFVTBJ-OAQYLSRUSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547792 569000756 /nfs/dbraw/zinc/00/07/56/569000756.db2.gz MPKZUBRPBFVTBJ-NRFANRHFSA-N 1 2 421.497 5.891 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038547802 569000768 /nfs/dbraw/zinc/00/07/68/569000768.db2.gz KPJVIXCDJNIZRL-FQEVSTJZSA-N 1 2 404.495 5.147 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038547804 569000630 /nfs/dbraw/zinc/00/06/30/569000630.db2.gz KPJVIXCDJNIZRL-HXUWFJFHSA-N 1 2 404.495 5.147 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038547814 569000623 /nfs/dbraw/zinc/00/06/23/569000623.db2.gz WOLPXUXLQUVDRN-HXUWFJFHSA-N 1 2 404.495 5.147 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038547816 569000720 /nfs/dbraw/zinc/00/07/20/569000720.db2.gz WOLPXUXLQUVDRN-FQEVSTJZSA-N 1 2 404.495 5.147 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547839 569000618 /nfs/dbraw/zinc/00/06/18/569000618.db2.gz VLDDWKQVSAITES-JOCHJYFZSA-N 1 2 417.534 6.061 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547841 569000739 /nfs/dbraw/zinc/00/07/39/569000739.db2.gz VLDDWKQVSAITES-QFIPXVFZSA-N 1 2 417.534 6.061 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547936 569000668 /nfs/dbraw/zinc/00/06/68/569000668.db2.gz BOWFZEBOSGSVGI-IBGZPJMESA-N 1 2 409.536 5.814 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547937 569000645 /nfs/dbraw/zinc/00/06/45/569000645.db2.gz BOWFZEBOSGSVGI-LJQANCHMSA-N 1 2 409.536 5.814 50 0 HKAALO CCc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547942 569000610 /nfs/dbraw/zinc/00/06/10/569000610.db2.gz VSIAJAQVYQJFDO-LJQANCHMSA-N 1 2 409.536 5.814 50 0 HKAALO CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547943 569000758 /nfs/dbraw/zinc/00/07/58/569000758.db2.gz VSIAJAQVYQJFDO-IBGZPJMESA-N 1 2 409.536 5.814 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550571 558813043 /nfs/dbraw/zinc/81/30/43/558813043.db2.gz GWIWPARWKKWTOD-QHCPKHFHSA-N 1 2 413.546 6.214 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550573 558813013 /nfs/dbraw/zinc/81/30/13/558813013.db2.gz GWIWPARWKKWTOD-HSZRJFAPSA-N 1 2 413.546 6.214 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038550595 558813055 /nfs/dbraw/zinc/81/30/55/558813055.db2.gz WXULJESQNVJIJN-FQEVSTJZSA-N 1 2 405.548 5.967 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038550597 558813009 /nfs/dbraw/zinc/81/30/09/558813009.db2.gz WXULJESQNVJIJN-HXUWFJFHSA-N 1 2 405.548 5.967 50 0 HKAALO COc1cccc2cc(C(=O)NCC3CCC(c4[nH]c5ccccc5[nH+]4)CC3)oc21 ZINC000038671605 571060657 /nfs/dbraw/zinc/06/06/57/571060657.db2.gz ZRWVVSZDWWTKFC-UHFFFAOYSA-N 1 2 403.482 5.022 50 0 HKAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000038671641 571060642 /nfs/dbraw/zinc/06/06/42/571060642.db2.gz MWODYZAZWYDCLC-UHFFFAOYSA-N 1 2 401.432 5.286 50 0 HKAALO Clc1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)s1 ZINC000039573289 571133502 /nfs/dbraw/zinc/13/35/02/571133502.db2.gz XLZRZMIYNSUZCW-UHFFFAOYSA-N 1 2 404.992 5.260 50 0 HKAALO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3Nc2ccc(Cl)cc2)cc1 ZINC000039725427 571133938 /nfs/dbraw/zinc/13/39/38/571133938.db2.gz NXHYSVCNQDXUIW-UHFFFAOYSA-N 1 2 414.871 6.624 50 0 HKAALO CCOc1cc2c(cc1OC)CC[NH+]=C2Cc1ccc(OCc2ccccc2)cc1 ZINC000039931424 571134889 /nfs/dbraw/zinc/13/48/89/571134889.db2.gz JORYYTSHXJMJBT-UHFFFAOYSA-N 1 2 401.506 5.261 50 0 HKAALO Fc1ccc(-c2csc3ncnc(NCc4ccc(Cn5cc[nH+]c5)cc4)c23)cc1 ZINC000040020030 571139478 /nfs/dbraw/zinc/13/94/78/571139478.db2.gz GVNXXNUWQWRPNV-UHFFFAOYSA-N 1 2 415.497 5.354 50 0 HKAALO COc1cccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(F)c(F)c3)cs2)c1OC ZINC000040039708 571141905 /nfs/dbraw/zinc/14/19/05/571141905.db2.gz CORAUGMBSOOHJO-ZDUSSCGKSA-N 1 2 404.482 5.299 50 0 HKAALO COc1cccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(F)c(F)c3)cs2)c1OC ZINC000040039708 571141909 /nfs/dbraw/zinc/14/19/09/571141909.db2.gz CORAUGMBSOOHJO-ZDUSSCGKSA-N 1 2 404.482 5.299 50 0 HKAALO COc1cccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(F)c(F)c3)cs2)c1OC ZINC000040039709 571142020 /nfs/dbraw/zinc/14/20/20/571142020.db2.gz CORAUGMBSOOHJO-CYBMUJFWSA-N 1 2 404.482 5.299 50 0 HKAALO COc1cccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(F)c(F)c3)cs2)c1OC ZINC000040039709 571142021 /nfs/dbraw/zinc/14/20/21/571142021.db2.gz CORAUGMBSOOHJO-CYBMUJFWSA-N 1 2 404.482 5.299 50 0 HKAALO C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)c1cccc(F)c1 ZINC000040060252 571147179 /nfs/dbraw/zinc/14/71/79/571147179.db2.gz SIOLIVPZBXHNCN-INIZCTEOSA-N 1 2 405.498 5.257 50 0 HKAALO C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)c1cccc(F)c1 ZINC000040060253 571147152 /nfs/dbraw/zinc/14/71/52/571147152.db2.gz SIOLIVPZBXHNCN-MRXNPFEDSA-N 1 2 405.498 5.257 50 0 HKAALO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040096362 571161958 /nfs/dbraw/zinc/16/19/58/571161958.db2.gz GSKGZOHREYWREZ-FQEVSTJZSA-N 1 2 415.603 5.190 50 0 HKAALO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040096364 571161990 /nfs/dbraw/zinc/16/19/90/571161990.db2.gz GSKGZOHREYWREZ-HXUWFJFHSA-N 1 2 415.603 5.190 50 0 HKAALO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(SC)cc1 ZINC000040104223 571164925 /nfs/dbraw/zinc/16/49/25/571164925.db2.gz YSTQKVQFPGMJPZ-UHFFFAOYSA-N 1 2 424.570 5.128 50 0 HKAALO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000040157200 571203884 /nfs/dbraw/zinc/20/38/84/571203884.db2.gz LVPIELRITDYPAP-JTQLQIEISA-N 1 2 412.740 5.407 50 0 HKAALO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000040157200 571203885 /nfs/dbraw/zinc/20/38/85/571203885.db2.gz LVPIELRITDYPAP-JTQLQIEISA-N 1 2 412.740 5.407 50 0 HKAALO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000040157201 571204039 /nfs/dbraw/zinc/20/40/39/571204039.db2.gz LVPIELRITDYPAP-SNVBAGLBSA-N 1 2 412.740 5.407 50 0 HKAALO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000040157201 571204042 /nfs/dbraw/zinc/20/40/42/571204042.db2.gz LVPIELRITDYPAP-SNVBAGLBSA-N 1 2 412.740 5.407 50 0 HKAALO CC(C)(C)c1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc(C(C)(C)C)c1 ZINC000040266137 518990860 /nfs/dbraw/zinc/99/08/60/518990860.db2.gz CHRKOCLZRYEKSZ-UHFFFAOYSA-N 1 2 411.619 5.434 50 0 HKAALO Cc1[nH+]cc(NC(=O)Cc2cccs2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124356 527294388 /nfs/dbraw/zinc/29/43/88/527294388.db2.gz JTORYPROHHAWEW-UHFFFAOYSA-N 1 2 414.943 5.200 50 0 HKAALO c1ccc(CC2CCN(c3nc(N4CCCCCC4)c4ccccc4[nH+]3)CC2)cc1 ZINC000041149318 526463057 /nfs/dbraw/zinc/46/30/57/526463057.db2.gz ILNKDFYZEUEGQH-UHFFFAOYSA-N 1 2 400.570 5.469 50 0 HKAALO c1ccc(CC2CCN(c3nc(NC4CCCCC4)c4ccccc4[nH+]3)CC2)cc1 ZINC000041152777 526463873 /nfs/dbraw/zinc/46/38/73/526463873.db2.gz WZNGBUFXHDLRQZ-UHFFFAOYSA-N 1 2 400.570 5.834 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000043220761 525537855 /nfs/dbraw/zinc/53/78/55/525537855.db2.gz CLKFWCFERZASEZ-JOCHJYFZSA-N 1 2 417.509 6.044 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000043220762 525483197 /nfs/dbraw/zinc/48/31/97/525483197.db2.gz CLKFWCFERZASEZ-QFIPXVFZSA-N 1 2 417.509 6.044 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000043220763 525537809 /nfs/dbraw/zinc/53/78/09/525537809.db2.gz SUXDOTMGMUAQED-JOCHJYFZSA-N 1 2 417.509 6.044 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000043220764 525482943 /nfs/dbraw/zinc/48/29/43/525482943.db2.gz SUXDOTMGMUAQED-QFIPXVFZSA-N 1 2 417.509 6.044 50 0 HKAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000043220765 525538413 /nfs/dbraw/zinc/53/84/13/525538413.db2.gz CKBHZNSHVYRJMQ-JOCHJYFZSA-N 1 2 417.509 6.044 50 0 HKAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000043220766 525483256 /nfs/dbraw/zinc/48/32/56/525483256.db2.gz CKBHZNSHVYRJMQ-QFIPXVFZSA-N 1 2 417.509 6.044 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccccc1C ZINC000044859788 560897646 /nfs/dbraw/zinc/89/76/46/560897646.db2.gz UHIHOVULDKTSIK-XMMPIXPASA-N 1 2 424.504 5.281 50 0 HKAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccccc1C ZINC000044859791 560897658 /nfs/dbraw/zinc/89/76/58/560897658.db2.gz UHIHOVULDKTSIK-DEOSSOPVSA-N 1 2 424.504 5.281 50 0 HKAALO COc1cccc(C[NH+]=C2Nc3ccccc3NC23CCC(c2ccccc2)CC3)c1 ZINC000045913580 526011638 /nfs/dbraw/zinc/01/16/38/526011638.db2.gz LGSMFGNSNZZRDR-UHFFFAOYSA-N 1 2 411.549 6.037 50 0 biogenic HKAALO CCc1ccc(-n2nc(C)c3c2nc(OCc2[nH+]cc(C)c(OC)c2C)cc3C)cc1 ZINC000045995631 568423220 /nfs/dbraw/zinc/42/32/20/568423220.db2.gz PWRVWUCUMFOLSW-UHFFFAOYSA-N 1 2 416.525 5.199 50 0 HKAALO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046151116 557017725 /nfs/dbraw/zinc/01/77/25/557017725.db2.gz SBGQDHKPKXGDGE-NRFANRHFSA-N 1 2 407.926 5.166 50 0 HKAALO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046151118 557017618 /nfs/dbraw/zinc/01/76/18/557017618.db2.gz SBGQDHKPKXGDGE-OAQYLSRUSA-N 1 2 407.926 5.166 50 0 HKAALO CC[N@H+](CCCNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC)c1ccccc1 ZINC000046914156 560879137 /nfs/dbraw/zinc/87/91/37/560879137.db2.gz XPENGZUUXVOJKJ-UHFFFAOYSA-N 1 2 413.905 5.110 50 0 HKAALO CC[N@@H+](CCCNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC)c1ccccc1 ZINC000046914156 560879138 /nfs/dbraw/zinc/87/91/38/560879138.db2.gz XPENGZUUXVOJKJ-UHFFFAOYSA-N 1 2 413.905 5.110 50 0 HKAALO O=C(CSc1cccc2cccc(Cl)c21)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000048299036 568437146 /nfs/dbraw/zinc/43/71/46/568437146.db2.gz CUQFXKWQFRJGBO-UHFFFAOYSA-N 1 2 416.333 5.203 50 0 HKAALO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000048313301 568439189 /nfs/dbraw/zinc/43/91/89/568439189.db2.gz KRGCZZCJLOMRGZ-UHFFFAOYSA-N 1 2 420.557 5.530 50 0 HKAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(-c2ccco2)on1 ZINC000048325923 568438808 /nfs/dbraw/zinc/43/88/08/568438808.db2.gz HJADMGHXHBDQBZ-UHFFFAOYSA-N 1 2 408.285 5.092 50 0 HKAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(-c2ccco2)on1 ZINC000048325923 568438809 /nfs/dbraw/zinc/43/88/09/568438809.db2.gz HJADMGHXHBDQBZ-UHFFFAOYSA-N 1 2 408.285 5.092 50 0 HKAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326562 568439794 /nfs/dbraw/zinc/43/97/94/568439794.db2.gz WTZNXJPQQKZZAK-MRXNPFEDSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326562 568439795 /nfs/dbraw/zinc/43/97/95/568439795.db2.gz WTZNXJPQQKZZAK-MRXNPFEDSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326563 568439769 /nfs/dbraw/zinc/43/97/69/568439769.db2.gz WTZNXJPQQKZZAK-INIZCTEOSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326563 568439770 /nfs/dbraw/zinc/43/97/70/568439770.db2.gz WTZNXJPQQKZZAK-INIZCTEOSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355793 568441570 /nfs/dbraw/zinc/44/15/70/568441570.db2.gz HBPWENZHOXDFDY-HNNXBMFYSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355793 568441571 /nfs/dbraw/zinc/44/15/71/568441571.db2.gz HBPWENZHOXDFDY-HNNXBMFYSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355794 568441501 /nfs/dbraw/zinc/44/15/01/568441501.db2.gz HBPWENZHOXDFDY-OAHLLOKOSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355794 568441502 /nfs/dbraw/zinc/44/15/02/568441502.db2.gz HBPWENZHOXDFDY-OAHLLOKOSA-N 1 2 402.869 5.134 50 0 HKAALO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(Cl)s2)cc1 ZINC000048367940 568442142 /nfs/dbraw/zinc/44/21/42/568442142.db2.gz TYADVHUYUGDSTK-UHFFFAOYSA-N 1 2 400.931 5.089 50 0 HKAALO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(Cl)s2)cc1 ZINC000048367940 568442144 /nfs/dbraw/zinc/44/21/44/568442144.db2.gz TYADVHUYUGDSTK-UHFFFAOYSA-N 1 2 400.931 5.089 50 0 HKAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000052537386 568769739 /nfs/dbraw/zinc/76/97/39/568769739.db2.gz DBSPSLMWEQGGBQ-UHFFFAOYSA-N 1 2 411.977 5.148 50 0 HKAALO CCc1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105788 569057499 /nfs/dbraw/zinc/05/74/99/569057499.db2.gz GNUCEBYIESBNIE-UHFFFAOYSA-N 1 2 423.557 5.024 50 0 HKAALO CCc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105790 569057506 /nfs/dbraw/zinc/05/75/06/569057506.db2.gz CXMSEUAXYUBIBJ-UHFFFAOYSA-N 1 2 423.557 5.024 50 0 HKAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c(C)c1Cl ZINC000054105989 569057609 /nfs/dbraw/zinc/05/76/09/569057609.db2.gz WBIOZCYDOJEVAP-UHFFFAOYSA-N 1 2 417.336 5.039 50 0 HKAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 ZINC000055031497 558869900 /nfs/dbraw/zinc/86/99/00/558869900.db2.gz FWANRMMBMWJHNU-UHFFFAOYSA-N 1 2 422.613 5.512 50 0 HKAALO CCOc1cc(-c2csc3ccccc23)cc2c1OCC[N@H+](Cc1ccccn1)C2 ZINC000055088377 558871766 /nfs/dbraw/zinc/87/17/66/558871766.db2.gz JXWZAUKBOCLGKK-UHFFFAOYSA-N 1 2 416.546 5.757 50 0 HKAALO CCOc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](Cc1ccccn1)C2 ZINC000055088377 558871769 /nfs/dbraw/zinc/87/17/69/558871769.db2.gz JXWZAUKBOCLGKK-UHFFFAOYSA-N 1 2 416.546 5.757 50 0 HKAALO Clc1ccc(C[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)c(Cl)c1 ZINC000055124296 558873262 /nfs/dbraw/zinc/87/32/62/558873262.db2.gz ZBMGGYWHXVVLEM-UHFFFAOYSA-N 1 2 413.308 5.005 50 0 HKAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(F)cc2F)C3)c1 ZINC000055133822 558873726 /nfs/dbraw/zinc/87/37/26/558873726.db2.gz ZZUJBOFNDFRONS-UHFFFAOYSA-N 1 2 411.448 5.044 50 0 HKAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(F)cc2F)C3)c1 ZINC000055133822 558873729 /nfs/dbraw/zinc/87/37/29/558873729.db2.gz ZZUJBOFNDFRONS-UHFFFAOYSA-N 1 2 411.448 5.044 50 0 HKAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000055152849 558874266 /nfs/dbraw/zinc/87/42/66/558874266.db2.gz QONWHTXIZODUFD-UHFFFAOYSA-N 1 2 420.509 5.506 50 0 HKAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000055152849 558874269 /nfs/dbraw/zinc/87/42/69/558874269.db2.gz QONWHTXIZODUFD-UHFFFAOYSA-N 1 2 420.509 5.506 50 0 HKAALO S=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055157314 558874750 /nfs/dbraw/zinc/87/47/50/558874750.db2.gz ZYYDWTRSGZKWBS-QPJJXVBHSA-N 1 2 406.382 5.021 50 0 HKAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3C(F)(F)F)c(C)o2)cc1OC ZINC000055198336 558875805 /nfs/dbraw/zinc/87/58/05/558875805.db2.gz ZWSZJBDDFPLFHR-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3C(F)(F)F)c(C)o2)cc1OC ZINC000055198336 558875807 /nfs/dbraw/zinc/87/58/07/558875807.db2.gz ZWSZJBDDFPLFHR-UHFFFAOYSA-N 1 2 420.431 5.318 50 0 HKAALO COc1ccccc1C[N@H+](Cc1cccnc1)Cc1cc(F)c(OC)c(Cl)c1 ZINC000055211208 558876020 /nfs/dbraw/zinc/87/60/20/558876020.db2.gz BFZJGWYKPSMOIU-UHFFFAOYSA-N 1 2 400.881 5.094 50 0 HKAALO COc1ccccc1C[N@@H+](Cc1cccnc1)Cc1cc(F)c(OC)c(Cl)c1 ZINC000055211208 558876021 /nfs/dbraw/zinc/87/60/21/558876021.db2.gz BFZJGWYKPSMOIU-UHFFFAOYSA-N 1 2 400.881 5.094 50 0 HKAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055211283 558875995 /nfs/dbraw/zinc/87/59/95/558875995.db2.gz OIOLIAALUCFTOE-UHFFFAOYSA-N 1 2 402.325 5.279 50 0 HKAALO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000055225191 558876471 /nfs/dbraw/zinc/87/64/71/558876471.db2.gz HWIUCWSKVSYUOK-UHFFFAOYSA-N 1 2 400.507 5.440 50 0 HKAALO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000055225191 558876473 /nfs/dbraw/zinc/87/64/73/558876473.db2.gz HWIUCWSKVSYUOK-UHFFFAOYSA-N 1 2 400.507 5.440 50 0 HKAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000055236072 569395447 /nfs/dbraw/zinc/39/54/47/569395447.db2.gz QPEGYIVVKWCUBP-UHFFFAOYSA-N 1 2 408.933 5.090 50 0 HKAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000055236072 569395448 /nfs/dbraw/zinc/39/54/48/569395448.db2.gz QPEGYIVVKWCUBP-UHFFFAOYSA-N 1 2 408.933 5.090 50 0 HKAALO Cc1cccc(N2CC[NH+](Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1C ZINC000055292137 558878532 /nfs/dbraw/zinc/87/85/32/558878532.db2.gz AXHAJKOQLFNSKW-UHFFFAOYSA-N 1 2 417.336 5.039 50 0 HKAALO O=c1c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292323 558878538 /nfs/dbraw/zinc/87/85/38/558878538.db2.gz HCRRWWGPDRINHI-UHFFFAOYSA-N 1 2 423.727 5.075 50 0 aggregator HKAALO Cc1ccc(C)c(N2CC[NH+](Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1 ZINC000055292327 558878730 /nfs/dbraw/zinc/87/87/30/558878730.db2.gz YEYIJNICUJPRBK-UHFFFAOYSA-N 1 2 417.336 5.039 50 0 HKAALO O=c1c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292335 558878526 /nfs/dbraw/zinc/87/85/26/558878526.db2.gz MBIPSOIFAHBJAP-UHFFFAOYSA-N 1 2 423.727 5.075 50 0 HKAALO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055494913 558881605 /nfs/dbraw/zinc/88/16/05/558881605.db2.gz MSSGHTHUQWQEGO-QPJJXVBHSA-N 1 2 406.382 5.021 50 0 HKAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000055554728 568779400 /nfs/dbraw/zinc/77/94/00/568779400.db2.gz HGMXYIWNLCEEPR-UHFFFAOYSA-N 1 2 403.473 5.151 50 0 HKAALO c1sc2ncnc(Nc3ccc([NH2+]C4CCOCC4)cc3)c2c1-c1ccccc1 ZINC000057265302 568825231 /nfs/dbraw/zinc/82/52/31/568825231.db2.gz GLQYGZKGCTVNML-UHFFFAOYSA-N 1 2 402.523 5.693 50 0 HKAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270852 568825426 /nfs/dbraw/zinc/82/54/26/568825426.db2.gz UYLSUYNEORYNLZ-AREMUKBSSA-N 1 2 424.548 5.052 50 0 HKAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270852 568825427 /nfs/dbraw/zinc/82/54/27/568825427.db2.gz UYLSUYNEORYNLZ-AREMUKBSSA-N 1 2 424.548 5.052 50 0 HKAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270853 568825409 /nfs/dbraw/zinc/82/54/09/568825409.db2.gz UYLSUYNEORYNLZ-SANMLTNESA-N 1 2 424.548 5.052 50 0 HKAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270853 568825410 /nfs/dbraw/zinc/82/54/10/568825410.db2.gz UYLSUYNEORYNLZ-SANMLTNESA-N 1 2 424.548 5.052 50 0 HKAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281331 568825639 /nfs/dbraw/zinc/82/56/39/568825639.db2.gz AUWGLUHSDQKTAB-QFBILLFUSA-N 1 2 419.550 5.447 50 0 HKAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281331 568825641 /nfs/dbraw/zinc/82/56/41/568825641.db2.gz AUWGLUHSDQKTAB-QFBILLFUSA-N 1 2 419.550 5.447 50 0 HKAALO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281334 568825697 /nfs/dbraw/zinc/82/56/97/568825697.db2.gz AUWGLUHSDQKTAB-VQIMIIECSA-N 1 2 419.550 5.447 50 0 HKAALO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281334 568825699 /nfs/dbraw/zinc/82/56/99/568825699.db2.gz AUWGLUHSDQKTAB-VQIMIIECSA-N 1 2 419.550 5.447 50 0 HKAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293378 568826223 /nfs/dbraw/zinc/82/62/23/568826223.db2.gz ATRAFPXKMIBIBL-AREMUKBSSA-N 1 2 424.548 5.301 50 0 HKAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293378 568826224 /nfs/dbraw/zinc/82/62/24/568826224.db2.gz ATRAFPXKMIBIBL-AREMUKBSSA-N 1 2 424.548 5.301 50 0 HKAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293380 568826098 /nfs/dbraw/zinc/82/60/98/568826098.db2.gz ATRAFPXKMIBIBL-SANMLTNESA-N 1 2 424.548 5.301 50 0 HKAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293380 568826100 /nfs/dbraw/zinc/82/61/00/568826100.db2.gz ATRAFPXKMIBIBL-SANMLTNESA-N 1 2 424.548 5.301 50 0 HKAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CC=C(c5ccccc5)CC4)nc(=O)c23)s1 ZINC000057293405 568826149 /nfs/dbraw/zinc/82/61/49/568826149.db2.gz GBYQINFVVUHGCS-UHFFFAOYSA-N 1 2 419.575 5.311 50 0 HKAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CC=C(c5ccccc5)CC4)nc(=O)c23)s1 ZINC000057293405 568826150 /nfs/dbraw/zinc/82/61/50/568826150.db2.gz GBYQINFVVUHGCS-UHFFFAOYSA-N 1 2 419.575 5.311 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057331899 568827155 /nfs/dbraw/zinc/82/71/55/568827155.db2.gz VCSUQBUIIMVFRT-RHSMWYFYSA-N 1 2 407.564 5.611 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057331899 568827156 /nfs/dbraw/zinc/82/71/56/568827156.db2.gz VCSUQBUIIMVFRT-RHSMWYFYSA-N 1 2 407.564 5.611 50 0 HKAALO O=c1nc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)[nH]c2scc(-c3cccs3)c21 ZINC000057363714 568829064 /nfs/dbraw/zinc/82/90/64/568829064.db2.gz WTDISVDLKVCJDX-UHFFFAOYSA-N 1 2 411.527 5.017 50 0 HKAALO O=c1nc(C[N@H+](Cc2ccc(F)cc2)C2CC2)[nH]c2scc(-c3cccs3)c21 ZINC000057363714 568829067 /nfs/dbraw/zinc/82/90/67/568829067.db2.gz WTDISVDLKVCJDX-UHFFFAOYSA-N 1 2 411.527 5.017 50 0 HKAALO COc1cc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373725 568830265 /nfs/dbraw/zinc/83/02/65/568830265.db2.gz COOUGXMONRWCQQ-LBPRGKRZSA-N 1 2 421.360 5.269 50 0 HKAALO COc1cc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373725 568830267 /nfs/dbraw/zinc/83/02/67/568830267.db2.gz COOUGXMONRWCQQ-LBPRGKRZSA-N 1 2 421.360 5.269 50 0 HKAALO COc1cc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373726 568830258 /nfs/dbraw/zinc/83/02/58/568830258.db2.gz COOUGXMONRWCQQ-GFCCVEGCSA-N 1 2 421.360 5.269 50 0 HKAALO COc1cc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373726 568830260 /nfs/dbraw/zinc/83/02/60/568830260.db2.gz COOUGXMONRWCQQ-GFCCVEGCSA-N 1 2 421.360 5.269 50 0 HKAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000057380615 568830434 /nfs/dbraw/zinc/83/04/34/568830434.db2.gz WLWSBLNPRXTDIG-OAQYLSRUSA-N 1 2 414.958 5.612 50 0 HKAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000057380615 568830436 /nfs/dbraw/zinc/83/04/36/568830436.db2.gz WLWSBLNPRXTDIG-OAQYLSRUSA-N 1 2 414.958 5.612 50 0 HKAALO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000057380617 568830342 /nfs/dbraw/zinc/83/03/42/568830342.db2.gz WLWSBLNPRXTDIG-NRFANRHFSA-N 1 2 414.958 5.612 50 0 HKAALO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000057380617 568830345 /nfs/dbraw/zinc/83/03/45/568830345.db2.gz WLWSBLNPRXTDIG-NRFANRHFSA-N 1 2 414.958 5.612 50 0 HKAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000057449691 568837264 /nfs/dbraw/zinc/83/72/64/568837264.db2.gz FEYWJOKOSAZBAE-UHFFFAOYSA-N 1 2 419.956 5.076 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000057470683 568838756 /nfs/dbraw/zinc/83/87/56/568838756.db2.gz YVNVDHSARFTVCB-HNNXBMFYSA-N 1 2 419.575 5.563 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000057470683 568838758 /nfs/dbraw/zinc/83/87/58/568838758.db2.gz YVNVDHSARFTVCB-HNNXBMFYSA-N 1 2 419.575 5.563 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000057470684 568838748 /nfs/dbraw/zinc/83/87/48/568838748.db2.gz YVNVDHSARFTVCB-OAHLLOKOSA-N 1 2 419.575 5.563 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000057470684 568838750 /nfs/dbraw/zinc/83/87/50/568838750.db2.gz YVNVDHSARFTVCB-OAHLLOKOSA-N 1 2 419.575 5.563 50 0 HKAALO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000057547541 568852795 /nfs/dbraw/zinc/85/27/95/568852795.db2.gz WIJWGDJZRIDGGU-UHFFFAOYSA-N 1 2 409.942 5.245 50 0 HKAALO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000057547541 568852797 /nfs/dbraw/zinc/85/27/97/568852797.db2.gz WIJWGDJZRIDGGU-UHFFFAOYSA-N 1 2 409.942 5.245 50 0 HKAALO COc1ccc(-c2noc(C[N@H+](C)[C@@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863737 568864287 /nfs/dbraw/zinc/86/42/87/568864287.db2.gz FCHNODSLOMPRAJ-QHCPKHFHSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863737 568864290 /nfs/dbraw/zinc/86/42/90/568864290.db2.gz FCHNODSLOMPRAJ-QHCPKHFHSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2noc(C[N@H+](C)[C@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863740 568864277 /nfs/dbraw/zinc/86/42/77/568864277.db2.gz FCHNODSLOMPRAJ-HSZRJFAPSA-N 1 2 403.457 5.106 50 0 HKAALO COc1ccc(-c2noc(C[N@@H+](C)[C@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863740 568864280 /nfs/dbraw/zinc/86/42/80/568864280.db2.gz FCHNODSLOMPRAJ-HSZRJFAPSA-N 1 2 403.457 5.106 50 0 HKAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccc4Cl)CC3)c2cc1C(C)C ZINC000057999765 558893750 /nfs/dbraw/zinc/89/37/50/558893750.db2.gz RUXVNCJVMNQCKD-UHFFFAOYSA-N 1 2 410.945 5.200 50 0 HKAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 ZINC000058011398 568875993 /nfs/dbraw/zinc/87/59/93/568875993.db2.gz FTIMFPKPWGDABP-UHFFFAOYSA-N 1 2 407.602 6.325 50 0 HKAALO CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)[N@H+](C)Cc2ccccc2)cc1 ZINC000058012562 568876135 /nfs/dbraw/zinc/87/61/35/568876135.db2.gz KUUXMSPUDMSWBV-RUZDIDTESA-N 1 2 416.521 5.351 50 0 HKAALO CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)[N@@H+](C)Cc2ccccc2)cc1 ZINC000058012562 568876136 /nfs/dbraw/zinc/87/61/36/568876136.db2.gz KUUXMSPUDMSWBV-RUZDIDTESA-N 1 2 416.521 5.351 50 0 HKAALO CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)[N@H+](C)Cc2ccccc2)cc1 ZINC000058012563 568876173 /nfs/dbraw/zinc/87/61/73/568876173.db2.gz KUUXMSPUDMSWBV-VWLOTQADSA-N 1 2 416.521 5.351 50 0 HKAALO CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)[N@@H+](C)Cc2ccccc2)cc1 ZINC000058012563 568876175 /nfs/dbraw/zinc/87/61/75/568876175.db2.gz KUUXMSPUDMSWBV-VWLOTQADSA-N 1 2 416.521 5.351 50 0 HKAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058016008 558895478 /nfs/dbraw/zinc/89/54/78/558895478.db2.gz VFRMQZICEHVCEH-UHFFFAOYSA-N 1 2 412.921 5.060 50 0 HKAALO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)C2)c1 ZINC000058060888 568881830 /nfs/dbraw/zinc/88/18/30/568881830.db2.gz YKKKNHNNOSBPEE-UHFFFAOYSA-N 1 2 418.562 5.230 50 0 HKAALO Cc1ccc(C)c(C[N@H+]2CCCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)C2)c1 ZINC000058060888 568881831 /nfs/dbraw/zinc/88/18/31/568881831.db2.gz YKKKNHNNOSBPEE-UHFFFAOYSA-N 1 2 418.562 5.230 50 0 HKAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134850 568890216 /nfs/dbraw/zinc/89/02/16/568890216.db2.gz CXUBRBQEKMSUFX-HSZRJFAPSA-N 1 2 423.557 5.921 50 0 HKAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134850 568890218 /nfs/dbraw/zinc/89/02/18/568890218.db2.gz CXUBRBQEKMSUFX-HSZRJFAPSA-N 1 2 423.557 5.921 50 0 HKAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134866 568890241 /nfs/dbraw/zinc/89/02/41/568890241.db2.gz CXUBRBQEKMSUFX-QHCPKHFHSA-N 1 2 423.557 5.921 50 0 HKAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134866 568890243 /nfs/dbraw/zinc/89/02/43/568890243.db2.gz CXUBRBQEKMSUFX-QHCPKHFHSA-N 1 2 423.557 5.921 50 0 HKAALO Fc1c(F)c(F)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c(F)c1F ZINC000058158082 558903611 /nfs/dbraw/zinc/90/36/11/558903611.db2.gz NWWJFJCCEZTVOO-UHFFFAOYSA-N 1 2 418.409 5.371 50 0 HKAALO Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160092 558904868 /nfs/dbraw/zinc/90/48/68/558904868.db2.gz JZTNSWLEAWXWDV-QGZVFWFLSA-N 1 2 421.591 5.667 50 0 HKAALO Cc1sc2[nH]c(C[N@H+]3CCC[C@@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160092 558904870 /nfs/dbraw/zinc/90/48/70/558904870.db2.gz JZTNSWLEAWXWDV-QGZVFWFLSA-N 1 2 421.591 5.667 50 0 HKAALO Cc1sc2[nH]c(C[N@@H+]3CCC[C@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160093 558904855 /nfs/dbraw/zinc/90/48/55/558904855.db2.gz JZTNSWLEAWXWDV-KRWDZBQOSA-N 1 2 421.591 5.667 50 0 HKAALO Cc1sc2[nH]c(C[N@H+]3CCC[C@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160093 558904858 /nfs/dbraw/zinc/90/48/58/558904858.db2.gz JZTNSWLEAWXWDV-KRWDZBQOSA-N 1 2 421.591 5.667 50 0 HKAALO O=c1nc(C[N@@H+]2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160094 558904907 /nfs/dbraw/zinc/90/49/07/558904907.db2.gz SQBBNPAFAQKSHU-INIZCTEOSA-N 1 2 411.527 5.189 50 0 HKAALO O=c1nc(C[N@H+]2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160094 558904909 /nfs/dbraw/zinc/90/49/09/558904909.db2.gz SQBBNPAFAQKSHU-INIZCTEOSA-N 1 2 411.527 5.189 50 0 HKAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160095 558904839 /nfs/dbraw/zinc/90/48/39/558904839.db2.gz SQBBNPAFAQKSHU-MRXNPFEDSA-N 1 2 411.527 5.189 50 0 HKAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160095 558904842 /nfs/dbraw/zinc/90/48/42/558904842.db2.gz SQBBNPAFAQKSHU-MRXNPFEDSA-N 1 2 411.527 5.189 50 0 HKAALO CCC[N@H+](Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@@H]1CCc2ccccc21 ZINC000058162815 568894847 /nfs/dbraw/zinc/89/48/47/568894847.db2.gz MZDWCWZNFZSYNB-RUZDIDTESA-N 1 2 409.533 5.421 50 0 HKAALO CCC[N@@H+](Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@@H]1CCc2ccccc21 ZINC000058162815 568894850 /nfs/dbraw/zinc/89/48/50/568894850.db2.gz MZDWCWZNFZSYNB-RUZDIDTESA-N 1 2 409.533 5.421 50 0 HKAALO CCC[N@H+](Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@H]1CCc2ccccc21 ZINC000058162816 568894737 /nfs/dbraw/zinc/89/47/37/568894737.db2.gz MZDWCWZNFZSYNB-VWLOTQADSA-N 1 2 409.533 5.421 50 0 HKAALO CCC[N@@H+](Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@H]1CCc2ccccc21 ZINC000058162816 568894740 /nfs/dbraw/zinc/89/47/40/568894740.db2.gz MZDWCWZNFZSYNB-VWLOTQADSA-N 1 2 409.533 5.421 50 0 HKAALO CCC[N@H+](CC)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S ZINC000058173683 568896614 /nfs/dbraw/zinc/89/66/14/568896614.db2.gz XRKNFAPUFUFLPU-UHFFFAOYSA-N 1 2 418.607 5.293 50 0 HKAALO CCC[N@@H+](CC)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S ZINC000058173683 568896616 /nfs/dbraw/zinc/89/66/16/568896616.db2.gz XRKNFAPUFUFLPU-UHFFFAOYSA-N 1 2 418.607 5.293 50 0 HKAALO Cc1cccn2cc(Cc3nc(-c4ccc(NC(=O)C(C)(C)C)cc4)cs3)[nH+]c12 ZINC000058201210 568899736 /nfs/dbraw/zinc/89/97/36/568899736.db2.gz ZQXOANRHTPWEDT-UHFFFAOYSA-N 1 2 404.539 5.342 50 0 HKAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccnc1Sc1ccccc1 ZINC000058203001 558911746 /nfs/dbraw/zinc/91/17/46/558911746.db2.gz DCBFJKULMSMIBJ-UHFFFAOYSA-N 1 2 406.898 5.324 50 0 HKAALO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2csc(Br)c2)cc1 ZINC000058365464 558922177 /nfs/dbraw/zinc/92/21/77/558922177.db2.gz CUVXSADJSZRBON-UHFFFAOYSA-N 1 2 421.320 5.071 50 0 HKAALO Cc1cn2cc(NC(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)ccc2[nH+]1 ZINC000058406998 558924758 /nfs/dbraw/zinc/92/47/58/558924758.db2.gz ANQBBCRNXBLKIP-UHFFFAOYSA-N 1 2 424.913 5.171 50 0 HKAALO Cc1nn(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438102 558927198 /nfs/dbraw/zinc/92/71/98/558927198.db2.gz WVNPOQJTHSIHSC-HSZRJFAPSA-N 1 2 404.583 5.270 50 0 HKAALO Cc1nn(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438102 558927200 /nfs/dbraw/zinc/92/72/00/558927200.db2.gz WVNPOQJTHSIHSC-HSZRJFAPSA-N 1 2 404.583 5.270 50 0 HKAALO Cc1nn(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438103 558927188 /nfs/dbraw/zinc/92/71/88/558927188.db2.gz WVNPOQJTHSIHSC-QHCPKHFHSA-N 1 2 404.583 5.270 50 0 HKAALO Cc1nn(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438103 558927190 /nfs/dbraw/zinc/92/71/90/558927190.db2.gz WVNPOQJTHSIHSC-QHCPKHFHSA-N 1 2 404.583 5.270 50 0 HKAALO O=C(N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1)C1(c2cccs2)CCCC1 ZINC000062130131 560580370 /nfs/dbraw/zinc/58/03/70/560580370.db2.gz VGDWBYKMLBJKEP-UHFFFAOYSA-N 1 2 419.594 5.362 50 0 HKAALO O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130215 560580404 /nfs/dbraw/zinc/58/04/04/560580404.db2.gz ZXYWYKBZNGXPBH-UHFFFAOYSA-N 1 2 413.443 5.121 50 0 HKAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130216 560580500 /nfs/dbraw/zinc/58/05/00/560580500.db2.gz VPPQVODYOVYLCT-UHFFFAOYSA-N 1 2 413.443 5.121 50 0 HKAALO COc1ccc(-c2nn(C[N@H+](C3CC3)[C@@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581082 560631619 /nfs/dbraw/zinc/63/16/19/560631619.db2.gz OPZVJZACBPMJSH-JOCHJYFZSA-N 1 2 420.582 5.126 50 0 HKAALO COc1ccc(-c2nn(C[N@@H+](C3CC3)[C@@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581082 560631620 /nfs/dbraw/zinc/63/16/20/560631620.db2.gz OPZVJZACBPMJSH-JOCHJYFZSA-N 1 2 420.582 5.126 50 0 HKAALO COc1ccc(-c2nn(C[N@H+](C3CC3)[C@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581085 560631616 /nfs/dbraw/zinc/63/16/16/560631616.db2.gz OPZVJZACBPMJSH-QFIPXVFZSA-N 1 2 420.582 5.126 50 0 HKAALO COc1ccc(-c2nn(C[N@@H+](C3CC3)[C@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581085 560631617 /nfs/dbraw/zinc/63/16/17/560631617.db2.gz OPZVJZACBPMJSH-QFIPXVFZSA-N 1 2 420.582 5.126 50 0 HKAALO O=C(Nc1cc(Cl)ccc1O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000063803274 569016794 /nfs/dbraw/zinc/01/67/94/569016794.db2.gz JAMNGMOUHWGPMD-UHFFFAOYSA-N 1 2 409.898 5.238 50 0 HKAALO Cc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc([NH+](C)C)cc3)c2c1 ZINC000064568431 569067523 /nfs/dbraw/zinc/06/75/23/569067523.db2.gz RMPPSJBFILJGKA-UHFFFAOYSA-N 1 2 402.542 5.225 50 0 HKAALO COC(=O)c1c(Nc2ccc([NH+]3CCC(C)CC3)cc2)onc1-c1ccc(F)cc1 ZINC000064622696 569074512 /nfs/dbraw/zinc/07/45/12/569074512.db2.gz DWSLXNUHHBYNMW-UHFFFAOYSA-N 1 2 409.461 5.247 50 0 HKAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000064658256 569076259 /nfs/dbraw/zinc/07/62/59/569076259.db2.gz RSPQWRGITNXUAV-UHFFFAOYSA-N 1 2 418.349 5.474 50 0 HKAALO O=C(c1c[nH+]c2ccccc2c1Nc1cccc(C(F)(F)F)c1)N1CCSCC1 ZINC000064658259 569076231 /nfs/dbraw/zinc/07/62/31/569076231.db2.gz UOGSVSXGKYGAKT-UHFFFAOYSA-N 1 2 417.456 5.186 50 0 HKAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000064658263 569076385 /nfs/dbraw/zinc/07/63/85/569076385.db2.gz UPAYCTSNRWGTKW-UHFFFAOYSA-N 1 2 418.349 5.474 50 0 HKAALO O=C(c1c[nH+]c2ccccc2c1Nc1cc(Cl)ccc1Cl)N1CCSCC1 ZINC000064658264 569076392 /nfs/dbraw/zinc/07/63/92/569076392.db2.gz OMQATMQPCWVGIG-UHFFFAOYSA-N 1 2 418.349 5.474 50 0 HKAALO CCOC(=O)CC1=CC(SCc2c(F)cccc2Cl)=[NH+]c2ccccc2N1 ZINC000064661301 569078024 /nfs/dbraw/zinc/07/80/24/569078024.db2.gz XJSBAWMZSRBUEY-UHFFFAOYSA-N 1 2 404.894 5.705 50 0 HKAALO O=C(CSc1[nH+]ccc2c1ccn2Cc1ccc(F)cc1)NCCC1=CCCCC1 ZINC000065118294 569182049 /nfs/dbraw/zinc/18/20/49/569182049.db2.gz NTQYGOOCHZGRII-UHFFFAOYSA-N 1 2 423.557 5.323 50 0 HKAALO Cc1ccc(Cn2ccc3c2cc[nH+]c3SCC(=O)NCCC2=CCCCC2)cc1 ZINC000065118295 569182029 /nfs/dbraw/zinc/18/20/29/569182029.db2.gz HIRXUWYMLFCRQE-UHFFFAOYSA-N 1 2 419.594 5.492 50 0 HKAALO C[C@H](NC(=O)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1)c1cccnc1 ZINC000065178268 569191717 /nfs/dbraw/zinc/19/17/17/569191717.db2.gz BYXOUQXMXQFLKI-IBGZPJMESA-N 1 2 400.526 5.015 50 0 HKAALO C[C@@H](NC(=O)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1)c1cccnc1 ZINC000065178270 569191796 /nfs/dbraw/zinc/19/17/96/569191796.db2.gz BYXOUQXMXQFLKI-LJQANCHMSA-N 1 2 400.526 5.015 50 0 HKAALO Cc1ccccc1NC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260020 569210937 /nfs/dbraw/zinc/21/09/37/569210937.db2.gz WQKXUBDOHGFESB-RUZDIDTESA-N 1 2 417.557 5.049 50 0 HKAALO Cc1ccccc1NC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260021 569210906 /nfs/dbraw/zinc/21/09/06/569210906.db2.gz WQKXUBDOHGFESB-VWLOTQADSA-N 1 2 417.557 5.049 50 0 HKAALO Brc1ccsc1-c1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000065567508 569236258 /nfs/dbraw/zinc/23/62/58/569236258.db2.gz KAKZZZZWCPZSGV-INIZCTEOSA-N 1 2 421.385 5.208 50 0 HKAALO Brc1ccsc1-c1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000065567508 569236259 /nfs/dbraw/zinc/23/62/59/569236259.db2.gz KAKZZZZWCPZSGV-INIZCTEOSA-N 1 2 421.385 5.208 50 0 HKAALO Brc1ccsc1-c1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000065567512 569236245 /nfs/dbraw/zinc/23/62/45/569236245.db2.gz KAKZZZZWCPZSGV-MRXNPFEDSA-N 1 2 421.385 5.208 50 0 HKAALO Brc1ccsc1-c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000065567512 569236246 /nfs/dbraw/zinc/23/62/46/569236246.db2.gz KAKZZZZWCPZSGV-MRXNPFEDSA-N 1 2 421.385 5.208 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC000067287950 571065817 /nfs/dbraw/zinc/06/58/17/571065817.db2.gz HJMSSJRXFVMPTI-UHFFFAOYSA-N 1 2 417.528 5.069 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCCC1 ZINC000067288133 571065520 /nfs/dbraw/zinc/06/55/20/571065520.db2.gz RNAXIDKAFHDIKG-UHFFFAOYSA-N 1 2 415.512 5.294 50 0 HKAALO CCCOc1ccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288224 571066184 /nfs/dbraw/zinc/06/61/84/571066184.db2.gz SHRKMMTYZUZYEQ-UHFFFAOYSA-N 1 2 407.489 5.011 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCC1 ZINC000067288255 571066275 /nfs/dbraw/zinc/06/62/75/571066275.db2.gz QGPIQJZIVJKDRH-UHFFFAOYSA-N 1 2 401.844 5.015 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCC1 ZINC000067288258 571066204 /nfs/dbraw/zinc/06/62/04/571066204.db2.gz DHFHQTKXDOPKMB-UHFFFAOYSA-N 1 2 401.844 5.015 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCCC1 ZINC000067288260 571066303 /nfs/dbraw/zinc/06/63/03/571066303.db2.gz PGJDRJBPEOIELZ-UHFFFAOYSA-N 1 2 417.406 5.241 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000067288261 571066295 /nfs/dbraw/zinc/06/62/95/571066295.db2.gz SHNICUXWRFOXLN-UHFFFAOYSA-N 1 2 417.406 5.241 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000067288264 571066137 /nfs/dbraw/zinc/06/61/37/571066137.db2.gz UDCVKIPDVRFTPE-UHFFFAOYSA-N 1 2 417.406 5.241 50 0 HKAALO CC(C)Oc1ccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288303 571066078 /nfs/dbraw/zinc/06/60/78/571066078.db2.gz BMQDMGOJZWVVCL-UHFFFAOYSA-N 1 2 407.489 5.009 50 0 HKAALO CC(C)c1ccc(CNc2c(C(=O)N3CCOCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000067288322 571066291 /nfs/dbraw/zinc/06/62/91/571066291.db2.gz XOCNSWFUKPFUJJ-UHFFFAOYSA-N 1 2 423.944 5.096 50 0 HKAALO CCOc1cccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)c1 ZINC000067288455 571066176 /nfs/dbraw/zinc/06/61/76/571066176.db2.gz JBSJFNRMETWTKH-UHFFFAOYSA-N 1 2 407.489 5.011 50 0 HKAALO CCOc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288458 571066307 /nfs/dbraw/zinc/06/63/07/571066307.db2.gz OPEYUFGIIPQEOE-UHFFFAOYSA-N 1 2 407.489 5.011 50 0 HKAALO CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288460 571066313 /nfs/dbraw/zinc/06/63/13/571066313.db2.gz NWYXCHMQFFDABH-UHFFFAOYSA-N 1 2 421.516 5.401 50 0 HKAALO CSc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288472 571066197 /nfs/dbraw/zinc/06/61/97/571066197.db2.gz SDPGJTMHMYUBHP-UHFFFAOYSA-N 1 2 409.530 5.334 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 ZINC000067288484 571066212 /nfs/dbraw/zinc/06/62/12/571066212.db2.gz DMMSVERODIOSGC-UHFFFAOYSA-N 1 2 415.871 5.405 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000067288487 571066219 /nfs/dbraw/zinc/06/62/19/571066219.db2.gz NKDVKXJJBFWTCJ-UHFFFAOYSA-N 1 2 415.871 5.405 50 0 HKAALO COc1ccc([C@H](C)Nc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288537 571066120 /nfs/dbraw/zinc/06/61/20/571066120.db2.gz YCESZDZLUFFJIQ-INIZCTEOSA-N 1 2 407.489 5.182 50 0 HKAALO COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288544 571066241 /nfs/dbraw/zinc/06/62/41/571066241.db2.gz YCESZDZLUFFJIQ-MRXNPFEDSA-N 1 2 407.489 5.182 50 0 HKAALO Cc1ncsc1C[N@@H+](Cc1nc(-c2cccc(F)c2)oc1C)Cc1ccccc1 ZINC000067756835 558992510 /nfs/dbraw/zinc/99/25/10/558992510.db2.gz YXVZVQKJDDRLCH-UHFFFAOYSA-N 1 2 407.514 5.756 50 0 HKAALO Cc1ncsc1C[N@H+](Cc1nc(-c2cccc(F)c2)oc1C)Cc1ccccc1 ZINC000067756835 558992513 /nfs/dbraw/zinc/99/25/13/558992513.db2.gz YXVZVQKJDDRLCH-UHFFFAOYSA-N 1 2 407.514 5.756 50 0 HKAALO CCc1ncc(C[N@@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)cn1 ZINC000067974592 558862469 /nfs/dbraw/zinc/86/24/69/558862469.db2.gz WRGSEJMQDZHKEJ-UHFFFAOYSA-N 1 2 417.534 5.021 50 0 HKAALO CCc1ncc(C[N@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)cn1 ZINC000067974592 558862473 /nfs/dbraw/zinc/86/24/73/558862473.db2.gz WRGSEJMQDZHKEJ-UHFFFAOYSA-N 1 2 417.534 5.021 50 0 HKAALO Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1c[nH+]cn1C1CC1)C2 ZINC000067975333 558862568 /nfs/dbraw/zinc/86/25/68/558862568.db2.gz YOSVSPBGXCMYMC-UHFFFAOYSA-N 1 2 417.534 5.200 50 0 HKAALO CCc1nccc(C[N@@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)n1 ZINC000067982065 558862580 /nfs/dbraw/zinc/86/25/80/558862580.db2.gz KEHOTLQQDZZBGD-UHFFFAOYSA-N 1 2 417.534 5.021 50 0 HKAALO CCc1nccc(C[N@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)n1 ZINC000067982065 558862582 /nfs/dbraw/zinc/86/25/82/558862582.db2.gz KEHOTLQQDZZBGD-UHFFFAOYSA-N 1 2 417.534 5.021 50 0 HKAALO CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000069454282 571228213 /nfs/dbraw/zinc/22/82/13/571228213.db2.gz MKQIVCMIVGWDIR-UHFFFAOYSA-N 1 2 424.504 5.118 50 0 HKAALO Cc1ccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000072115417 558926495 /nfs/dbraw/zinc/92/64/95/558926495.db2.gz UHSNKWMVRSQGQF-UHFFFAOYSA-N 1 2 402.502 5.081 50 0 HKAALO CCc1ccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000072115584 558926693 /nfs/dbraw/zinc/92/66/93/558926693.db2.gz VPVUYHODBGAVCA-UHFFFAOYSA-N 1 2 416.529 5.335 50 0 HKAALO CCc1ccccc1NC(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000072116139 558926915 /nfs/dbraw/zinc/92/69/15/558926915.db2.gz VGKYSOZQAGETTO-UHFFFAOYSA-N 1 2 416.529 5.335 50 0 HKAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000072117229 558927336 /nfs/dbraw/zinc/92/73/36/558927336.db2.gz JUAZMAUGHOUDKX-UHFFFAOYSA-N 1 2 419.876 5.012 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)[nH+]1 ZINC000072117494 558927545 /nfs/dbraw/zinc/92/75/45/558927545.db2.gz LUOZBURNMCQFHE-UHFFFAOYSA-N 1 2 402.502 5.081 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)[nH+]1 ZINC000072117515 558927440 /nfs/dbraw/zinc/92/74/40/558927440.db2.gz MBMWYXPIRGHJEN-UHFFFAOYSA-N 1 2 420.492 5.220 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000072117563 558927472 /nfs/dbraw/zinc/92/74/72/558927472.db2.gz XOQFTBAAUZMVBZ-UHFFFAOYSA-N 1 2 416.529 5.390 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000072117621 558927538 /nfs/dbraw/zinc/92/75/38/558927538.db2.gz HQPXYOLPKTXNMW-UHFFFAOYSA-N 1 2 422.920 5.426 50 0 HKAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)[nH+]1 ZINC000072117666 558927467 /nfs/dbraw/zinc/92/74/67/558927467.db2.gz QSCFJPPINMYEJS-UHFFFAOYSA-N 1 2 419.876 5.012 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)[nH+]1 ZINC000072117895 558927771 /nfs/dbraw/zinc/92/77/71/558927771.db2.gz VBUSTHZABAJDGL-UHFFFAOYSA-N 1 2 424.455 5.051 50 0 HKAALO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000072140651 558929302 /nfs/dbraw/zinc/92/93/02/558929302.db2.gz AJVKFRXQABOYJN-UHFFFAOYSA-N 1 2 416.529 5.390 50 0 HKAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276804 558702272 /nfs/dbraw/zinc/70/22/72/558702272.db2.gz XMDFUQTWFDBKHW-OAQYLSRUSA-N 1 2 407.949 5.256 50 0 HKAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276805 559022077 /nfs/dbraw/zinc/02/20/77/559022077.db2.gz XMDFUQTWFDBKHW-NRFANRHFSA-N 1 2 407.949 5.256 50 0 HKAALO Cc1nc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308405 558770523 /nfs/dbraw/zinc/77/05/23/558770523.db2.gz QIAHVRGHZQMYSK-JOCHJYFZSA-N 1 2 412.537 6.054 50 0 HKAALO Cc1nc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308405 558770526 /nfs/dbraw/zinc/77/05/26/558770526.db2.gz QIAHVRGHZQMYSK-JOCHJYFZSA-N 1 2 412.537 6.054 50 0 HKAALO Cc1nc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308406 558770455 /nfs/dbraw/zinc/77/04/55/558770455.db2.gz QIAHVRGHZQMYSK-QFIPXVFZSA-N 1 2 412.537 6.054 50 0 HKAALO Cc1nc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308406 558770457 /nfs/dbraw/zinc/77/04/57/558770457.db2.gz QIAHVRGHZQMYSK-QFIPXVFZSA-N 1 2 412.537 6.054 50 0 HKAALO CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc2ccccc2n1 ZINC000072308528 558769395 /nfs/dbraw/zinc/76/93/95/558769395.db2.gz HMWZZKRFAWAESZ-UHFFFAOYSA-N 1 2 422.743 5.656 50 0 HKAALO CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc2ccccc2n1 ZINC000072308528 558769399 /nfs/dbraw/zinc/76/93/99/558769399.db2.gz HMWZZKRFAWAESZ-UHFFFAOYSA-N 1 2 422.743 5.656 50 0 HKAALO Cc1csc(C2([NH2+]Cc3coc(-c4ccc(Br)cc4)n3)CCCC2)n1 ZINC000072308884 558771648 /nfs/dbraw/zinc/77/16/48/558771648.db2.gz DACJRWPPYWWBRI-UHFFFAOYSA-N 1 2 418.360 5.428 50 0 HKAALO CCN(Cc1ccccc1)c1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21 ZINC000072328384 558863787 /nfs/dbraw/zinc/86/37/87/558863787.db2.gz ITZZPGOZWHFJDZ-UHFFFAOYSA-N 1 2 407.945 5.541 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N1CC=C(c2ccccc2)CC1 ZINC000072328431 558863754 /nfs/dbraw/zinc/86/37/54/558863754.db2.gz ANTNEDOKYWEXDP-UHFFFAOYSA-N 1 2 419.956 5.664 50 0 HKAALO CCc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000072328458 558863760 /nfs/dbraw/zinc/86/37/60/558863760.db2.gz ONQAHEMVQFNJCV-UHFFFAOYSA-N 1 2 407.945 5.689 50 0 HKAALO COc1ccccc1CNc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21 ZINC000072328459 558863842 /nfs/dbraw/zinc/86/38/42/558863842.db2.gz YSSWEOKBTOZLPS-UHFFFAOYSA-N 1 2 409.917 5.135 50 0 HKAALO COc1cccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(Cl)cc32)c1 ZINC000072328460 558863886 /nfs/dbraw/zinc/86/38/86/558863886.db2.gz RVHFOORYMMFIRH-UHFFFAOYSA-N 1 2 409.917 5.135 50 0 HKAALO COc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000072328461 558863749 /nfs/dbraw/zinc/86/37/49/558863749.db2.gz YEURTADAUJDDHS-UHFFFAOYSA-N 1 2 409.917 5.135 50 0 HKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(F)cc1F)N1CCCCC1 ZINC000072328467 558863793 /nfs/dbraw/zinc/86/37/93/558863793.db2.gz JMJYQJIDFXYTKT-UHFFFAOYSA-N 1 2 415.871 5.405 50 0 HKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 ZINC000072328468 558863848 /nfs/dbraw/zinc/86/38/48/558863848.db2.gz TYVIOMSYXYFASE-UHFFFAOYSA-N 1 2 415.871 5.405 50 0 HKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000072328469 558863798 /nfs/dbraw/zinc/86/37/98/558863798.db2.gz VQVRVXMAJGDROF-UHFFFAOYSA-N 1 2 414.336 5.780 50 0 HKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1cccc(Cl)c1)N1CCCCC1 ZINC000072328470 558863735 /nfs/dbraw/zinc/86/37/35/558863735.db2.gz GWJYJLVXHCDOQF-UHFFFAOYSA-N 1 2 414.336 5.780 50 0 HKAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000072328471 558863773 /nfs/dbraw/zinc/86/37/73/558863773.db2.gz HMCHTOCUYHMVJC-UHFFFAOYSA-N 1 2 414.336 5.780 50 0 HKAALO C[C@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000072328482 558863875 /nfs/dbraw/zinc/86/38/75/558863875.db2.gz ODTMFWHDWKGVBF-HNNXBMFYSA-N 1 2 411.908 5.827 50 0 HKAALO C[C@@H](Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000072328483 525695173 /nfs/dbraw/zinc/69/51/73/525695173.db2.gz ODTMFWHDWKGVBF-OAHLLOKOSA-N 1 2 411.908 5.827 50 0 HKAALO CCOc1ccccc1CNc1c(C(=O)N(CC)CC)c[nH+]c2ccc(Cl)cc21 ZINC000072328523 558864102 /nfs/dbraw/zinc/86/41/02/558864102.db2.gz JOCKMOCJBGOYBF-UHFFFAOYSA-N 1 2 411.933 5.381 50 0 HKAALO CCOc1ccc(CNc2c(C(=O)N(CC)CC)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000072328524 558864020 /nfs/dbraw/zinc/86/40/20/558864020.db2.gz KZBPOBQBPFDSOV-UHFFFAOYSA-N 1 2 411.933 5.381 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(F)cc1F ZINC000072328529 559176722 /nfs/dbraw/zinc/17/67/22/559176722.db2.gz BTNYUVZQVBXXAG-UHFFFAOYSA-N 1 2 403.860 5.261 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1 ZINC000072328530 558864070 /nfs/dbraw/zinc/86/40/70/558864070.db2.gz WTPFMVBPSXYIJK-UHFFFAOYSA-N 1 2 403.860 5.261 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1Cl ZINC000072328531 558864052 /nfs/dbraw/zinc/86/40/52/558864052.db2.gz PRYKPLWIJGDITQ-UHFFFAOYSA-N 1 2 402.325 5.636 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(Cl)cc1 ZINC000072328532 558863998 /nfs/dbraw/zinc/86/39/98/558863998.db2.gz QXHZWDQRGACXRC-UHFFFAOYSA-N 1 2 402.325 5.636 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl ZINC000072328535 559176684 /nfs/dbraw/zinc/17/66/84/559176684.db2.gz XXOLFNCVWAWARX-UHFFFAOYSA-N 1 2 420.315 5.775 50 0 HKAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1 ZINC000072328536 558863993 /nfs/dbraw/zinc/86/39/93/558863993.db2.gz QVTYHQSPCUGYFK-UHFFFAOYSA-N 1 2 420.315 5.775 50 0 HKAALO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+](C)Cc2ccon2)c1 ZINC000072407355 558977122 /nfs/dbraw/zinc/97/71/22/558977122.db2.gz BATSTTIDIITBML-UHFFFAOYSA-N 1 2 405.523 5.252 50 0 HKAALO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+](C)Cc2ccon2)c1 ZINC000072407355 558977125 /nfs/dbraw/zinc/97/71/25/558977125.db2.gz BATSTTIDIITBML-UHFFFAOYSA-N 1 2 405.523 5.252 50 0 HKAALO COc1cc2cc(C[N@H+](C)Cc3ccon3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072435327 558980142 /nfs/dbraw/zinc/98/01/42/558980142.db2.gz FFKOEBPQVZIGEP-UHFFFAOYSA-N 1 2 423.900 5.192 50 0 HKAALO COc1cc2cc(C[N@@H+](C)Cc3ccon3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072435327 558980144 /nfs/dbraw/zinc/98/01/44/558980144.db2.gz FFKOEBPQVZIGEP-UHFFFAOYSA-N 1 2 423.900 5.192 50 0 HKAALO CCc1cccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000072436974 558980324 /nfs/dbraw/zinc/98/03/24/558980324.db2.gz UDSLBSVNYVXSMB-UHFFFAOYSA-N 1 2 416.529 5.335 50 0 HKAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000072437382 558980747 /nfs/dbraw/zinc/98/07/47/558980747.db2.gz FASLCTTXDJNEPW-UHFFFAOYSA-N 1 2 419.876 5.012 50 0 HKAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)[nH+]1 ZINC000072441426 558981797 /nfs/dbraw/zinc/98/17/97/558981797.db2.gz KMZSHVJFTJKAIA-UHFFFAOYSA-N 1 2 416.529 5.471 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)[nH+]1 ZINC000072446634 558982124 /nfs/dbraw/zinc/98/21/24/558982124.db2.gz FKZPSLKDMXPTIW-UHFFFAOYSA-N 1 2 420.492 5.220 50 0 HKAALO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@H+](C)Cc2ccon2)c1 ZINC000072478159 558983909 /nfs/dbraw/zinc/98/39/09/558983909.db2.gz WVHGQSRBTTWRFX-UHFFFAOYSA-N 1 2 423.900 5.192 50 0 HKAALO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@@H+](C)Cc2ccon2)c1 ZINC000072478159 558983911 /nfs/dbraw/zinc/98/39/11/558983911.db2.gz WVHGQSRBTTWRFX-UHFFFAOYSA-N 1 2 423.900 5.192 50 0 HKAALO O=C(CCc1ncc(-c2ccccc2Cl)o1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000078996370 569423321 /nfs/dbraw/zinc/42/33/21/569423321.db2.gz YTLXGBAIIXURRU-UHFFFAOYSA-N 1 2 424.863 5.023 50 0 HKAALO COc1cccc([C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)c1 ZINC000079001632 569423570 /nfs/dbraw/zinc/42/35/70/569423570.db2.gz JITLJUNXUFWOIL-IBGZPJMESA-N 1 2 422.598 5.174 50 0 HKAALO COc1cccc([C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)c1 ZINC000079001635 569423487 /nfs/dbraw/zinc/42/34/87/569423487.db2.gz JITLJUNXUFWOIL-LJQANCHMSA-N 1 2 422.598 5.174 50 0 HKAALO COc1cc([C@@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)ccc1OCC(C)C ZINC000079034174 569424993 /nfs/dbraw/zinc/42/49/93/569424993.db2.gz WBBKMPLNYWSNLJ-GOSISDBHSA-N 1 2 420.509 5.408 50 0 HKAALO COc1cc([C@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)ccc1OCC(C)C ZINC000079034181 569425043 /nfs/dbraw/zinc/42/50/43/569425043.db2.gz WBBKMPLNYWSNLJ-SFHVURJKSA-N 1 2 420.509 5.408 50 0 HKAALO Cc1cccc(C[NH+](Cc2ccc(OC(F)(F)F)cc2)Cc2cccc(C)n2)n1 ZINC000079052058 569425665 /nfs/dbraw/zinc/42/56/65/569425665.db2.gz WFGSNVVQXKLYQS-UHFFFAOYSA-N 1 2 401.432 5.194 50 0 HKAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)[nH+]1 ZINC000082230391 559042775 /nfs/dbraw/zinc/04/27/75/559042775.db2.gz KHMMHZTWTKHVPE-UHFFFAOYSA-N 1 2 424.455 5.051 50 0 HKAALO Cc1occc1-c1nn(C[N@H+](Cc2ccccc2)Cc2ccccc2C)c(=S)n1C ZINC000084243868 568944792 /nfs/dbraw/zinc/94/47/92/568944792.db2.gz PHWLQDZKVMYJMT-UHFFFAOYSA-N 1 2 418.566 5.488 50 0 HKAALO Cc1occc1-c1nn(C[N@@H+](Cc2ccccc2)Cc2ccccc2C)c(=S)n1C ZINC000084243868 568944794 /nfs/dbraw/zinc/94/47/94/568944794.db2.gz PHWLQDZKVMYJMT-UHFFFAOYSA-N 1 2 418.566 5.488 50 0 HKAALO Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4C)cc3)[nH+]c12 ZINC000084247938 568945064 /nfs/dbraw/zinc/94/50/64/568945064.db2.gz PUYOJFCCKXPKIX-UHFFFAOYSA-N 1 2 410.399 5.284 50 0 HKAALO O=C(/C=C/c1ccc(Br)s1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000084374596 560544974 /nfs/dbraw/zinc/54/49/74/560544974.db2.gz PILHBSOAIOCZCB-FNORWQNLSA-N 1 2 401.285 5.350 50 0 HKAALO Clc1ccc2[nH+]c(CNc3ccc(Oc4ncc(Cl)cc4Cl)cc3)cn2c1 ZINC000084414717 568948915 /nfs/dbraw/zinc/94/89/15/568948915.db2.gz AMYJJXYVGJEMMH-UHFFFAOYSA-N 1 2 419.699 6.094 50 0 HKAALO CC(C)c1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000084625320 568953639 /nfs/dbraw/zinc/95/36/39/568953639.db2.gz AYTDIYYJBVZWFI-UHFFFAOYSA-N 1 2 401.535 6.002 50 0 HKAALO Clc1ccccc1-c1ccc2nc(-c3ccccc3)c(C[NH+]3CCOCC3)n2c1 ZINC000085421376 568987767 /nfs/dbraw/zinc/98/77/67/568987767.db2.gz DGBBBFRAXSXPEE-UHFFFAOYSA-N 1 2 403.913 5.154 50 0 HKAALO Cn1c2ccccc2nc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000086029390 559058141 /nfs/dbraw/zinc/05/81/41/559058141.db2.gz IBOIHFPCQHFOOP-UHFFFAOYSA-N 1 2 404.538 7.013 50 0 HKAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558943 569070249 /nfs/dbraw/zinc/07/02/49/569070249.db2.gz NMCMLTYXZDZNPJ-GFCCVEGCSA-N 1 2 400.375 5.513 50 0 HKAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558943 569070250 /nfs/dbraw/zinc/07/02/50/569070250.db2.gz NMCMLTYXZDZNPJ-GFCCVEGCSA-N 1 2 400.375 5.513 50 0 HKAALO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558947 569070260 /nfs/dbraw/zinc/07/02/60/569070260.db2.gz NMCMLTYXZDZNPJ-LBPRGKRZSA-N 1 2 400.375 5.513 50 0 HKAALO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558947 569070261 /nfs/dbraw/zinc/07/02/61/569070261.db2.gz NMCMLTYXZDZNPJ-LBPRGKRZSA-N 1 2 400.375 5.513 50 0 HKAALO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000089729951 569263208 /nfs/dbraw/zinc/26/32/08/569263208.db2.gz DPSGJXIRWOCCQB-KRWDZBQOSA-N 1 2 402.420 5.060 50 0 HKAALO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000089729952 569263201 /nfs/dbraw/zinc/26/32/01/569263201.db2.gz DPSGJXIRWOCCQB-QGZVFWFLSA-N 1 2 402.420 5.060 50 0 HKAALO Cn1cc[nH+]c1[C@H](Nc1cc(C(F)(F)F)nc2ccccc21)c1ccc(Cl)cc1 ZINC000089761338 569263388 /nfs/dbraw/zinc/26/33/88/569263388.db2.gz WQKMESGAMDVGRQ-LJQANCHMSA-N 1 2 416.834 5.842 50 0 HKAALO Cn1cc[nH+]c1[C@@H](Nc1cc(C(F)(F)F)nc2ccccc21)c1ccc(Cl)cc1 ZINC000089761339 569263403 /nfs/dbraw/zinc/26/34/03/569263403.db2.gz WQKMESGAMDVGRQ-IBGZPJMESA-N 1 2 416.834 5.842 50 0 HKAALO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000090607219 569041964 /nfs/dbraw/zinc/04/19/64/569041964.db2.gz RCLZGJFWTZFVJM-UHFFFAOYSA-N 1 2 418.884 5.365 50 0 HKAALO C[N@H+](Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356874 568601478 /nfs/dbraw/zinc/60/14/78/568601478.db2.gz YBKRXEMNQHRPKO-DOTOQJQBSA-N 1 2 411.379 5.269 50 0 HKAALO C[N@@H+](Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356874 568601481 /nfs/dbraw/zinc/60/14/81/568601481.db2.gz YBKRXEMNQHRPKO-DOTOQJQBSA-N 1 2 411.379 5.269 50 0 HKAALO C[N@H+](Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356875 568601537 /nfs/dbraw/zinc/60/15/37/568601537.db2.gz YBKRXEMNQHRPKO-RDJZCZTQSA-N 1 2 411.379 5.269 50 0 HKAALO C[N@@H+](Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356875 568601538 /nfs/dbraw/zinc/60/15/38/568601538.db2.gz YBKRXEMNQHRPKO-RDJZCZTQSA-N 1 2 411.379 5.269 50 0 HKAALO COC(=O)c1c(C[N@H+](C)[C@@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446714 568612224 /nfs/dbraw/zinc/61/22/24/568612224.db2.gz GBMVCAMFIIZKEW-SFHVURJKSA-N 1 2 411.505 5.276 50 0 HKAALO COC(=O)c1c(C[N@@H+](C)[C@@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446714 568612227 /nfs/dbraw/zinc/61/22/27/568612227.db2.gz GBMVCAMFIIZKEW-SFHVURJKSA-N 1 2 411.505 5.276 50 0 HKAALO COC(=O)c1c(C[N@H+](C)[C@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446715 568612236 /nfs/dbraw/zinc/61/22/36/568612236.db2.gz GBMVCAMFIIZKEW-GOSISDBHSA-N 1 2 411.505 5.276 50 0 HKAALO COC(=O)c1c(C[N@@H+](C)[C@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446715 568612239 /nfs/dbraw/zinc/61/22/39/568612239.db2.gz GBMVCAMFIIZKEW-GOSISDBHSA-N 1 2 411.505 5.276 50 0 HKAALO CO[C@H](C)c1nc(C[N@H+](C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455989 568617446 /nfs/dbraw/zinc/61/74/46/568617446.db2.gz YLCJPWMFEHLYTB-DLBZAZTESA-N 1 2 406.555 5.382 50 0 HKAALO CO[C@H](C)c1nc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455989 568617449 /nfs/dbraw/zinc/61/74/49/568617449.db2.gz YLCJPWMFEHLYTB-DLBZAZTESA-N 1 2 406.555 5.382 50 0 HKAALO CO[C@H](C)c1nc(C[N@H+](C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455990 568617380 /nfs/dbraw/zinc/61/73/80/568617380.db2.gz YLCJPWMFEHLYTB-IAGOWNOFSA-N 1 2 406.555 5.382 50 0 HKAALO CO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455990 568617383 /nfs/dbraw/zinc/61/73/83/568617383.db2.gz YLCJPWMFEHLYTB-IAGOWNOFSA-N 1 2 406.555 5.382 50 0 HKAALO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466156 568624029 /nfs/dbraw/zinc/62/40/29/568624029.db2.gz XBVAFZZLSQUURY-INIZCTEOSA-N 1 2 410.440 5.002 50 0 HKAALO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466156 568624032 /nfs/dbraw/zinc/62/40/32/568624032.db2.gz XBVAFZZLSQUURY-INIZCTEOSA-N 1 2 410.440 5.002 50 0 HKAALO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466157 568624099 /nfs/dbraw/zinc/62/40/99/568624099.db2.gz XBVAFZZLSQUURY-MRXNPFEDSA-N 1 2 410.440 5.002 50 0 HKAALO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466157 568624102 /nfs/dbraw/zinc/62/41/02/568624102.db2.gz XBVAFZZLSQUURY-MRXNPFEDSA-N 1 2 410.440 5.002 50 0 HKAALO CC(C)c1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000095471176 568626378 /nfs/dbraw/zinc/62/63/78/568626378.db2.gz QEOMRCHJRGYWOT-UHFFFAOYSA-N 1 2 405.517 5.736 50 0 HKAALO CCOc1ccccc1CNc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21 ZINC000095471180 568626479 /nfs/dbraw/zinc/62/64/79/568626479.db2.gz BGFVGPMOLRDWJZ-UHFFFAOYSA-N 1 2 407.489 5.011 50 0 HKAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCCC1 ZINC000095471190 568626469 /nfs/dbraw/zinc/62/64/69/568626469.db2.gz DSUNWUIKCQZFTM-UHFFFAOYSA-N 1 2 411.908 5.308 50 0 HKAALO C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21 ZINC000095471192 568626272 /nfs/dbraw/zinc/62/62/72/568626272.db2.gz DVOSZOANOBBOTC-SFHVURJKSA-N 1 2 405.517 5.433 50 0 HKAALO C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)c[nH+]c2ccc(F)cc21 ZINC000095471193 568626311 /nfs/dbraw/zinc/62/63/11/568626311.db2.gz DVOSZOANOBBOTC-GOSISDBHSA-N 1 2 405.517 5.433 50 0 HKAALO CC(C)Oc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000095471195 568626474 /nfs/dbraw/zinc/62/64/74/568626474.db2.gz GZYNZCQDCKUYGO-UHFFFAOYSA-N 1 2 421.516 5.399 50 0 HKAALO COC(=O)CN1C(c2cccc(OC)c2)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000095945314 568663326 /nfs/dbraw/zinc/66/33/26/568663326.db2.gz BVRHDXQZURVCIF-QHCPKHFHSA-N 1 2 420.896 5.005 50 0 HKAALO COC(=O)CN1C(c2cccc(OC)c2)=[NH+]c2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000095945315 568663334 /nfs/dbraw/zinc/66/33/34/568663334.db2.gz BVRHDXQZURVCIF-HSZRJFAPSA-N 1 2 420.896 5.005 50 0 HKAALO Cc1occc1-c1nn(C[N@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C ZINC000095947969 568665251 /nfs/dbraw/zinc/66/52/51/568665251.db2.gz KVJQKUVITJUBBH-UHFFFAOYSA-N 1 2 404.539 5.198 50 0 HKAALO Cc1occc1-c1nn(C[N@@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C ZINC000095947969 568665252 /nfs/dbraw/zinc/66/52/52/568665252.db2.gz KVJQKUVITJUBBH-UHFFFAOYSA-N 1 2 404.539 5.198 50 0 HKAALO Cc1occc1-c1nn(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947975 568665447 /nfs/dbraw/zinc/66/54/47/568665447.db2.gz PDSFEULUILTALB-NRFANRHFSA-N 1 2 422.529 5.338 50 0 HKAALO Cc1occc1-c1nn(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947975 568665449 /nfs/dbraw/zinc/66/54/49/568665449.db2.gz PDSFEULUILTALB-NRFANRHFSA-N 1 2 422.529 5.338 50 0 HKAALO Cc1occc1-c1nn(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947976 568665313 /nfs/dbraw/zinc/66/53/13/568665313.db2.gz PDSFEULUILTALB-OAQYLSRUSA-N 1 2 422.529 5.338 50 0 HKAALO Cc1occc1-c1nn(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947976 568665315 /nfs/dbraw/zinc/66/53/15/568665315.db2.gz PDSFEULUILTALB-OAQYLSRUSA-N 1 2 422.529 5.338 50 0 HKAALO C[N@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951866 568667749 /nfs/dbraw/zinc/66/77/49/568667749.db2.gz YXRUCWONYWOLHZ-RBUKOAKNSA-N 1 2 405.350 5.207 50 0 HKAALO C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951866 568667752 /nfs/dbraw/zinc/66/77/52/568667752.db2.gz YXRUCWONYWOLHZ-RBUKOAKNSA-N 1 2 405.350 5.207 50 0 HKAALO C[N@H+](Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951867 568667823 /nfs/dbraw/zinc/66/78/23/568667823.db2.gz YXRUCWONYWOLHZ-OALUTQOASA-N 1 2 405.350 5.207 50 0 HKAALO C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951867 568667825 /nfs/dbraw/zinc/66/78/25/568667825.db2.gz YXRUCWONYWOLHZ-OALUTQOASA-N 1 2 405.350 5.207 50 0 HKAALO Cc1cnc([C@H](C)[NH2+]Cc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)o1 ZINC000096003617 568681815 /nfs/dbraw/zinc/68/18/15/568681815.db2.gz GKDQAAOBGGXCNV-FQEVSTJZSA-N 1 2 400.526 5.362 50 0 HKAALO Cc1cnc([C@@H](C)[NH2+]Cc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)o1 ZINC000096003618 568681865 /nfs/dbraw/zinc/68/18/65/568681865.db2.gz GKDQAAOBGGXCNV-HXUWFJFHSA-N 1 2 400.526 5.362 50 0 HKAALO CC(C)n1c2ccccc2[nH+]c1CCCCCNC(=O)c1ccc2c(ccn2C)c1 ZINC000096230808 568706858 /nfs/dbraw/zinc/70/68/58/568706858.db2.gz DCKBMOCPIAJXBT-UHFFFAOYSA-N 1 2 402.542 5.252 50 0 HKAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280022 559108626 /nfs/dbraw/zinc/10/86/26/559108626.db2.gz BYUQZDIRPVDSRL-FQEVSTJZSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280022 559108627 /nfs/dbraw/zinc/10/86/27/559108627.db2.gz BYUQZDIRPVDSRL-FQEVSTJZSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280023 559108615 /nfs/dbraw/zinc/10/86/15/559108615.db2.gz BYUQZDIRPVDSRL-HXUWFJFHSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280023 559108616 /nfs/dbraw/zinc/10/86/16/559108616.db2.gz BYUQZDIRPVDSRL-HXUWFJFHSA-N 1 2 405.542 5.132 50 0 HKAALO Cc1cccc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000096281846 568718958 /nfs/dbraw/zinc/71/89/58/568718958.db2.gz RFGAQHGFVYNLLN-UHFFFAOYSA-N 1 2 414.553 5.126 50 0 HKAALO Cc1cccc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000096281846 568718960 /nfs/dbraw/zinc/71/89/60/568718960.db2.gz RFGAQHGFVYNLLN-UHFFFAOYSA-N 1 2 414.553 5.126 50 0 HKAALO CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc([NH+](C)C)cc1 ZINC000096300383 560559432 /nfs/dbraw/zinc/55/94/32/560559432.db2.gz JNKSBFDGNRLVLV-UHFFFAOYSA-N 1 2 404.297 5.528 50 0 HKAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(Br)c(C)c3)ccc2[nH+]1 ZINC000096332864 568736484 /nfs/dbraw/zinc/73/64/84/568736484.db2.gz QHYZZVDHLWENML-UHFFFAOYSA-N 1 2 400.320 5.158 50 0 HKAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(Br)c(C)c3)cc2[nH+]1 ZINC000096332864 568736483 /nfs/dbraw/zinc/73/64/83/568736483.db2.gz QHYZZVDHLWENML-UHFFFAOYSA-N 1 2 400.320 5.158 50 0 HKAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(Br)cc3C)cc2[nH+]1 ZINC000096332867 568736397 /nfs/dbraw/zinc/73/63/97/568736397.db2.gz ROJJAZZYIQEMQR-UHFFFAOYSA-N 1 2 400.320 5.158 50 0 HKAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(Br)cc3C)ccc2[nH+]1 ZINC000096332867 568736400 /nfs/dbraw/zinc/73/64/00/568736400.db2.gz ROJJAZZYIQEMQR-UHFFFAOYSA-N 1 2 400.320 5.158 50 0 HKAALO Cc1cc(NC(=O)CCc2ccc3[nH+]c(C(C)C)[nH]c3c2)ccc1Br ZINC000096332886 568736356 /nfs/dbraw/zinc/73/63/56/568736356.db2.gz JAPSCELRCTZOON-UHFFFAOYSA-N 1 2 400.320 5.329 50 0 HKAALO Cc1cc(NC(=O)CCc2ccc3[nH]c(C(C)C)[nH+]c3c2)ccc1Br ZINC000096332886 568736359 /nfs/dbraw/zinc/73/63/59/568736359.db2.gz JAPSCELRCTZOON-UHFFFAOYSA-N 1 2 400.320 5.329 50 0 HKAALO Cc1cc(Br)ccc1NC(=O)CCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000096332887 568736345 /nfs/dbraw/zinc/73/63/45/568736345.db2.gz MHRSGPGISDVHJF-UHFFFAOYSA-N 1 2 400.320 5.329 50 0 HKAALO Cc1cc(Br)ccc1NC(=O)CCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000096332887 568736348 /nfs/dbraw/zinc/73/63/48/568736348.db2.gz MHRSGPGISDVHJF-UHFFFAOYSA-N 1 2 400.320 5.329 50 0 HKAALO CC(C)c1[nH]c2cc(CCC(=O)Nc3ccc(Br)c(F)c3)ccc2[nH+]1 ZINC000096332890 568736327 /nfs/dbraw/zinc/73/63/27/568736327.db2.gz MYZLFXMBEBXJEE-UHFFFAOYSA-N 1 2 404.283 5.159 50 0 HKAALO CC(C)c1[nH]c2ccc(CCC(=O)Nc3ccc(Br)c(F)c3)cc2[nH+]1 ZINC000096332890 568736329 /nfs/dbraw/zinc/73/63/29/568736329.db2.gz MYZLFXMBEBXJEE-UHFFFAOYSA-N 1 2 404.283 5.159 50 0 HKAALO Cc1ccc(-c2nc3n(n2)C(=O)C([C@@H](c2ccccc2)[NH+]2CCCCC2)S3)cc1 ZINC000096336884 568736684 /nfs/dbraw/zinc/73/66/84/568736684.db2.gz GRJOHYQALZSGBU-LJQANCHMSA-N 1 2 404.539 5.047 50 0 HKAALO Cc1ccc(-c2nc3n(n2)C(=O)C([C@H](c2ccccc2)[NH+]2CCCCC2)S3)cc1 ZINC000096336886 568736706 /nfs/dbraw/zinc/73/67/06/568736706.db2.gz GRJOHYQALZSGBU-IBGZPJMESA-N 1 2 404.539 5.047 50 0 HKAALO COc1ccc(Cc2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000096503990 558959492 /nfs/dbraw/zinc/95/94/92/558959492.db2.gz QTAFXDKSZVXACV-UHFFFAOYSA-N 1 2 414.574 5.945 50 0 HKAALO COc1cc2[nH+]c(C3CCCCC3)nc(NCc3ccc4c(c3)OCO4)c2cc1OC ZINC000096562176 568760244 /nfs/dbraw/zinc/76/02/44/568760244.db2.gz JOZJFBMKVQTSNT-UHFFFAOYSA-N 1 2 421.497 5.036 50 0 HKAALO Cc1[nH+]c2ccccc2c(NC(=O)CCc2nc(-c3cccs3)no2)c1C(C)C ZINC000097104286 558993766 /nfs/dbraw/zinc/99/37/66/558993766.db2.gz UMIDIZDMRSLGRP-UHFFFAOYSA-N 1 2 406.511 5.349 50 0 HKAALO C[C@H](NC(=O)/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000098001032 559016460 /nfs/dbraw/zinc/01/64/60/559016460.db2.gz HNDMIJNNFYRLLW-CLOOOTJHSA-N 1 2 418.497 5.026 50 0 HKAALO O=C(/C=C\c1ccc(Br)s1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000098009978 559126159 /nfs/dbraw/zinc/12/61/59/559126159.db2.gz PILHBSOAIOCZCB-ALCCZGGFSA-N 1 2 401.285 5.350 50 0 HKAALO Brc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101072006 560770865 /nfs/dbraw/zinc/77/08/65/560770865.db2.gz CHAUUGRGHLDLMQ-PZJWPPBQSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101072008 560770836 /nfs/dbraw/zinc/77/08/36/560770836.db2.gz CHAUUGRGHLDLMQ-TZIWHRDSSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101072009 560770850 /nfs/dbraw/zinc/77/08/50/560770850.db2.gz CHAUUGRGHLDLMQ-FPOVZHCZSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101072010 560770893 /nfs/dbraw/zinc/77/08/93/560770893.db2.gz CHAUUGRGHLDLMQ-CTNGQTDRSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101073405 560770889 /nfs/dbraw/zinc/77/08/89/560770889.db2.gz CJUVNNNQOLCEKM-CTNGQTDRSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101073406 560770844 /nfs/dbraw/zinc/77/08/44/560770844.db2.gz CJUVNNNQOLCEKM-TZIWHRDSSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101073408 560770839 /nfs/dbraw/zinc/77/08/39/560770839.db2.gz CJUVNNNQOLCEKM-FPOVZHCZSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000101073409 560770805 /nfs/dbraw/zinc/77/08/05/560770805.db2.gz CJUVNNNQOLCEKM-PZJWPPBQSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101100943 560786123 /nfs/dbraw/zinc/78/61/23/560786123.db2.gz LMDDGDLLILQVSQ-PZJWPPBQSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1cccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101100945 560786068 /nfs/dbraw/zinc/78/60/68/560786068.db2.gz LMDDGDLLILQVSQ-TZIWHRDSSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101100947 560786110 /nfs/dbraw/zinc/78/61/10/560786110.db2.gz LMDDGDLLILQVSQ-FPOVZHCZSA-N 1 2 404.311 5.945 50 0 HKAALO Brc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101100948 560786073 /nfs/dbraw/zinc/78/60/73/560786073.db2.gz LMDDGDLLILQVSQ-CTNGQTDRSA-N 1 2 404.311 5.945 50 0 HKAALO COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000101218847 568454674 /nfs/dbraw/zinc/45/46/74/568454674.db2.gz AAKYOPXWNBSLNR-CTNGQTDRSA-N 1 2 403.457 5.339 50 0 HKAALO COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000101218852 568454711 /nfs/dbraw/zinc/45/47/11/568454711.db2.gz AAKYOPXWNBSLNR-TZIWHRDSSA-N 1 2 403.457 5.339 50 0 HKAALO COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000101218856 560790197 /nfs/dbraw/zinc/79/01/97/560790197.db2.gz AAKYOPXWNBSLNR-FPOVZHCZSA-N 1 2 403.457 5.339 50 0 HKAALO COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000101218862 560790179 /nfs/dbraw/zinc/79/01/79/560790179.db2.gz AAKYOPXWNBSLNR-PZJWPPBQSA-N 1 2 403.457 5.339 50 0 HKAALO Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101221774 560790188 /nfs/dbraw/zinc/79/01/88/560790188.db2.gz VXEUSHOSSVPFLF-IRLDBZIGSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1cccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101221778 560790202 /nfs/dbraw/zinc/79/02/02/560790202.db2.gz VXEUSHOSSVPFLF-IFMALSPDSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101221782 560790208 /nfs/dbraw/zinc/79/02/08/560790208.db2.gz VXEUSHOSSVPFLF-UNMCSNQZSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3[nH+]c4ccccc4n32)c1 ZINC000101221788 560790205 /nfs/dbraw/zinc/79/02/05/560790205.db2.gz VXEUSHOSSVPFLF-RBBKRZOGSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2[nH+]c3ccccc3n21 ZINC000101229538 560789275 /nfs/dbraw/zinc/78/92/75/560789275.db2.gz XRNWJIKSICSIKP-IRLDBZIGSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2[nH+]c3ccccc3n21 ZINC000101229541 568502332 /nfs/dbraw/zinc/50/23/32/568502332.db2.gz XRNWJIKSICSIKP-IFMALSPDSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2[nH+]c3ccccc3n21 ZINC000101229544 560789252 /nfs/dbraw/zinc/78/92/52/560789252.db2.gz XRNWJIKSICSIKP-UNMCSNQZSA-N 1 2 408.332 6.798 50 0 HKAALO Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2[nH+]c3ccccc3n21 ZINC000101229547 560789230 /nfs/dbraw/zinc/78/92/30/560789230.db2.gz XRNWJIKSICSIKP-RBBKRZOGSA-N 1 2 408.332 6.798 50 0 HKAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 ZINC000102533594 560813542 /nfs/dbraw/zinc/81/35/42/560813542.db2.gz SZFCEKCSMKSNRQ-CMJOXMDJSA-N 1 2 422.575 5.381 50 0 HKAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 ZINC000102533594 560813544 /nfs/dbraw/zinc/81/35/44/560813544.db2.gz SZFCEKCSMKSNRQ-CMJOXMDJSA-N 1 2 422.575 5.381 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1ccc(F)cc1 ZINC000102658714 560819152 /nfs/dbraw/zinc/81/91/52/560819152.db2.gz VFKNBTPOHORKIW-FQEVSTJZSA-N 1 2 420.513 6.031 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1ccc(F)cc1 ZINC000102658716 560819169 /nfs/dbraw/zinc/81/91/69/560819169.db2.gz VFKNBTPOHORKIW-HXUWFJFHSA-N 1 2 420.513 6.031 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1cccnc1 ZINC000102668419 560819481 /nfs/dbraw/zinc/81/94/81/560819481.db2.gz ZQNSDFLAANWSIZ-IBGZPJMESA-N 1 2 403.511 5.287 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1cccnc1 ZINC000102668421 560819466 /nfs/dbraw/zinc/81/94/66/560819466.db2.gz ZQNSDFLAANWSIZ-LJQANCHMSA-N 1 2 403.511 5.287 50 0 HKAALO Cc1cccc([C@H]2[NH+]=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102669048 560819474 /nfs/dbraw/zinc/81/94/74/560819474.db2.gz PLAYXYWHPULBDM-OAQYLSRUSA-N 1 2 416.550 6.201 50 0 HKAALO Cc1cccc([C@@H]2[NH+]=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102669052 560819576 /nfs/dbraw/zinc/81/95/76/560819576.db2.gz PLAYXYWHPULBDM-NRFANRHFSA-N 1 2 416.550 6.201 50 0 HKAALO Cc1ccccc1[C@H]1[NH+]=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2 ZINC000102674941 560819721 /nfs/dbraw/zinc/81/97/21/560819721.db2.gz YBFBTCUQHRNHFD-OAQYLSRUSA-N 1 2 400.482 5.732 50 0 HKAALO Cc1ccccc1[C@@H]1[NH+]=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2 ZINC000102674943 560819729 /nfs/dbraw/zinc/81/97/29/560819729.db2.gz YBFBTCUQHRNHFD-NRFANRHFSA-N 1 2 400.482 5.732 50 0 HKAALO C[C@@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1cc(F)cc(F)c1 ZINC000102675764 560819074 /nfs/dbraw/zinc/81/90/74/560819074.db2.gz RLSVXQWELKLIDB-YBTHPKLGSA-N 1 2 424.476 5.780 50 0 HKAALO C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1cc(F)cc(F)c1 ZINC000102675766 560819083 /nfs/dbraw/zinc/81/90/83/560819083.db2.gz RLSVXQWELKLIDB-GIPWTMENSA-N 1 2 424.476 5.780 50 0 HKAALO C[C@@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1cc(F)cc(F)c1 ZINC000102675768 560819097 /nfs/dbraw/zinc/81/90/97/560819097.db2.gz RLSVXQWELKLIDB-PRWKNARSSA-N 1 2 424.476 5.780 50 0 HKAALO C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1cc(F)cc(F)c1 ZINC000102675771 560819086 /nfs/dbraw/zinc/81/90/86/560819086.db2.gz RLSVXQWELKLIDB-BIBXISHDSA-N 1 2 424.476 5.780 50 0 HKAALO COc1ccccc1[C@@H]1[NH+]=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2 ZINC000102679692 560821062 /nfs/dbraw/zinc/82/10/62/560821062.db2.gz HPGLJDSIXQMBOJ-NRFANRHFSA-N 1 2 416.481 5.432 50 0 HKAALO COc1ccccc1[C@H]1[NH+]=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2 ZINC000102679697 560821075 /nfs/dbraw/zinc/82/10/75/560821075.db2.gz HPGLJDSIXQMBOJ-OAQYLSRUSA-N 1 2 416.481 5.432 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@H]2c1ccccc1 ZINC000102681013 560821173 /nfs/dbraw/zinc/82/11/73/560821173.db2.gz LLVUKSUDIDGOOE-FQEVSTJZSA-N 1 2 402.523 5.892 50 0 HKAALO CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=[NH+][C@@H]2c1ccccc1 ZINC000102681014 560821187 /nfs/dbraw/zinc/82/11/87/560821187.db2.gz LLVUKSUDIDGOOE-HXUWFJFHSA-N 1 2 402.523 5.892 50 0 HKAALO C[NH+](C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000102721494 560821424 /nfs/dbraw/zinc/82/14/24/560821424.db2.gz ZMTSPUVBBWBNSZ-UHFFFAOYSA-N 1 2 410.930 5.296 50 0 HKAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000102894414 560833247 /nfs/dbraw/zinc/83/32/47/560833247.db2.gz RWUUYEFLSSWUDM-GPMSIDNRSA-N 1 2 422.554 5.132 50 0 HKAALO COc1ccc(C=C2CCCC3=C2NC(SC)=[NH+][C@@H]3c2ccc(OC)cc2)cc1 ZINC000103145326 569050427 /nfs/dbraw/zinc/05/04/27/569050427.db2.gz NMVYRRAIZSWJQY-JVCJXORTSA-N 1 2 406.551 5.589 50 0 HKAALO COc1ccc(C=C2CCCC3=C2NC(SC)=[NH+][C@H]3c2ccc(OC)cc2)cc1 ZINC000103145329 569050429 /nfs/dbraw/zinc/05/04/29/569050429.db2.gz NMVYRRAIZSWJQY-BBXQBHCASA-N 1 2 406.551 5.589 50 0 HKAALO COc1ccc2cc([C@@H](C)C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)ccc2c1 ZINC000103507251 560842659 /nfs/dbraw/zinc/84/26/59/560842659.db2.gz DTMLBDOKSWYKRV-DLBZAZTESA-N 1 2 423.582 5.279 50 0 HKAALO COc1ccc2cc([C@@H](C)C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)ccc2c1 ZINC000103507251 560842661 /nfs/dbraw/zinc/84/26/61/560842661.db2.gz DTMLBDOKSWYKRV-DLBZAZTESA-N 1 2 423.582 5.279 50 0 HKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 ZINC000103623921 560843335 /nfs/dbraw/zinc/84/33/35/560843335.db2.gz MJEMWIXSBBYRPX-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 ZINC000103623921 560843337 /nfs/dbraw/zinc/84/33/37/560843337.db2.gz MJEMWIXSBBYRPX-RUZDIDTESA-N 1 2 408.948 6.194 50 0 HKAALO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2Cl)[C@H]1c1ccccc1C ZINC000103624023 560843919 /nfs/dbraw/zinc/84/39/19/560843919.db2.gz XANLHWCQLWGVQV-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2Cl)[C@H]1c1ccccc1C ZINC000103624023 560843921 /nfs/dbraw/zinc/84/39/21/560843921.db2.gz XANLHWCQLWGVQV-SANMLTNESA-N 1 2 422.975 6.503 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966187 560858578 /nfs/dbraw/zinc/85/85/78/560858578.db2.gz FXEBLZNPWHSCLP-LEWJYISDSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966187 560858580 /nfs/dbraw/zinc/85/85/80/560858580.db2.gz FXEBLZNPWHSCLP-LEWJYISDSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966192 560858521 /nfs/dbraw/zinc/85/85/21/560858521.db2.gz FXEBLZNPWHSCLP-NHCUHLMSSA-N 1 2 419.569 5.583 50 0 HKAALO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966192 560858523 /nfs/dbraw/zinc/85/85/23/560858523.db2.gz FXEBLZNPWHSCLP-NHCUHLMSSA-N 1 2 419.569 5.583 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105089934 560861478 /nfs/dbraw/zinc/86/14/78/560861478.db2.gz XSDWMYBBSTYOSQ-IRLDBZIGSA-N 1 2 418.585 5.176 50 0 HKAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105089938 560861459 /nfs/dbraw/zinc/86/14/59/560861459.db2.gz XSDWMYBBSTYOSQ-IFMALSPDSA-N 1 2 418.585 5.176 50 0 HKAALO Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(C[NH+]4CCOCC4)n3c2)c1 ZINC000106966768 560895027 /nfs/dbraw/zinc/89/50/27/560895027.db2.gz JVSGMSOSDMXHFQ-UHFFFAOYSA-N 1 2 417.940 5.462 50 0 HKAALO C[N@H+](Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064413 560897725 /nfs/dbraw/zinc/89/77/25/560897725.db2.gz YBKRXEMNQHRPKO-NVXWUHKLSA-N 1 2 411.379 5.269 50 0 HKAALO C[N@@H+](Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064413 560897726 /nfs/dbraw/zinc/89/77/26/560897726.db2.gz YBKRXEMNQHRPKO-NVXWUHKLSA-N 1 2 411.379 5.269 50 0 HKAALO C[N@H+](Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064417 560897740 /nfs/dbraw/zinc/89/77/40/560897740.db2.gz YBKRXEMNQHRPKO-WBVHZDCISA-N 1 2 411.379 5.269 50 0 HKAALO C[N@@H+](Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064417 560897741 /nfs/dbraw/zinc/89/77/41/560897741.db2.gz YBKRXEMNQHRPKO-WBVHZDCISA-N 1 2 411.379 5.269 50 0 HKAALO CO[C@@H](C)c1nc(C[N@H+](C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000108155847 560898138 /nfs/dbraw/zinc/89/81/38/560898138.db2.gz YLCJPWMFEHLYTB-SJORKVTESA-N 1 2 406.555 5.382 50 0 HKAALO CO[C@@H](C)c1nc(C[N@@H+](C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000108155847 560898139 /nfs/dbraw/zinc/89/81/39/560898139.db2.gz YLCJPWMFEHLYTB-SJORKVTESA-N 1 2 406.555 5.382 50 0 HKAALO C[N@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339377 568418536 /nfs/dbraw/zinc/41/85/36/568418536.db2.gz YXRUCWONYWOLHZ-RTBURBONSA-N 1 2 405.350 5.207 50 0 HKAALO C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339377 568418539 /nfs/dbraw/zinc/41/85/39/568418539.db2.gz YXRUCWONYWOLHZ-RTBURBONSA-N 1 2 405.350 5.207 50 0 HKAALO C[N@H+](Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339382 568418601 /nfs/dbraw/zinc/41/86/01/568418601.db2.gz YXRUCWONYWOLHZ-MOPGFXCFSA-N 1 2 405.350 5.207 50 0 HKAALO C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339382 568418603 /nfs/dbraw/zinc/41/86/03/568418603.db2.gz YXRUCWONYWOLHZ-MOPGFXCFSA-N 1 2 405.350 5.207 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000108950163 568420182 /nfs/dbraw/zinc/42/01/82/568420182.db2.gz NWRFJECEBYIJPQ-HZPDHXFCSA-N 1 2 411.596 5.207 50 0 HKAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000108950163 568420184 /nfs/dbraw/zinc/42/01/84/568420184.db2.gz NWRFJECEBYIJPQ-HZPDHXFCSA-N 1 2 411.596 5.207 50 0 HKAALO CCOC(=O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000117838496 559032433 /nfs/dbraw/zinc/03/24/33/559032433.db2.gz ONLALSUKFZIEHF-UHFFFAOYSA-N 1 2 410.517 5.219 50 0 HKAALO O=C(Oc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000139590657 559288987 /nfs/dbraw/zinc/28/89/87/559288987.db2.gz AEWRAAQRIIQUBD-HSZRJFAPSA-N 1 2 406.913 5.246 50 0 HKAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000170612990 569246676 /nfs/dbraw/zinc/24/66/76/569246676.db2.gz VBRBKHBUMIWGPP-UHFFFAOYSA-N 1 2 424.533 5.116 50 0 HKAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000170613006 569246670 /nfs/dbraw/zinc/24/66/70/569246670.db2.gz ZYBJBWNJALLZOM-UHFFFAOYSA-N 1 2 407.568 5.052 50 0 HKAALO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1)CCCC2 ZINC000170616383 569247499 /nfs/dbraw/zinc/24/74/99/569247499.db2.gz MSTFZVRPUXKMLQ-QHCPKHFHSA-N 1 2 400.526 5.394 50 0 HKAALO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1)CCCC2 ZINC000170616384 569247440 /nfs/dbraw/zinc/24/74/40/569247440.db2.gz MSTFZVRPUXKMLQ-HSZRJFAPSA-N 1 2 400.526 5.394 50 0 HKAALO C[C@@H](c1ccccc1Cl)N(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000170620962 569248832 /nfs/dbraw/zinc/24/88/32/569248832.db2.gz DPSWAEXKMQBRQF-INIZCTEOSA-N 1 2 423.944 5.030 50 0 HKAALO C[C@H](c1ccccc1Cl)N(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000170620963 569248815 /nfs/dbraw/zinc/24/88/15/569248815.db2.gz DPSWAEXKMQBRQF-MRXNPFEDSA-N 1 2 423.944 5.030 50 0 HKAALO Cc1cccn2cc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3Cl)[nH+]c12 ZINC000206900991 560749152 /nfs/dbraw/zinc/74/91/52/560749152.db2.gz RQJALXDTGDRARG-MRXNPFEDSA-N 1 2 405.885 5.369 50 0 HKAALO Cc1cccn2cc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3Cl)[nH+]c12 ZINC000206901032 560749163 /nfs/dbraw/zinc/74/91/63/560749163.db2.gz RQJALXDTGDRARG-INIZCTEOSA-N 1 2 405.885 5.369 50 0 HKAALO CO[C@@H](C)c1nc(C[N@H+](C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000222088586 568514211 /nfs/dbraw/zinc/51/42/11/568514211.db2.gz YLCJPWMFEHLYTB-IRXDYDNUSA-N 1 2 406.555 5.382 50 0 HKAALO CO[C@@H](C)c1nc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000222088586 568514213 /nfs/dbraw/zinc/51/42/13/568514213.db2.gz YLCJPWMFEHLYTB-IRXDYDNUSA-N 1 2 406.555 5.382 50 0 HKAALO COC(=O)CN1C(c2cccc(OC)c2)=[NH+]c2cc(Cl)ccc2[C@@H]1c1ccccc1 ZINC000225510635 568645083 /nfs/dbraw/zinc/64/50/83/568645083.db2.gz GHLUXFHKVWSKLG-QHCPKHFHSA-N 1 2 420.896 5.005 50 0 HKAALO COC(=O)CN1C(c2cccc(OC)c2)=[NH+]c2cc(Cl)ccc2[C@H]1c1ccccc1 ZINC000225510674 568645129 /nfs/dbraw/zinc/64/51/29/568645129.db2.gz GHLUXFHKVWSKLG-HSZRJFAPSA-N 1 2 420.896 5.005 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242001068 569369917 /nfs/dbraw/zinc/36/99/17/569369917.db2.gz VCSUQBUIIMVFRT-PBHICJAKSA-N 1 2 407.564 6.024 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000242001068 569369918 /nfs/dbraw/zinc/36/99/18/569369918.db2.gz VCSUQBUIIMVFRT-PBHICJAKSA-N 1 2 407.564 6.024 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000242001069 569369822 /nfs/dbraw/zinc/36/98/22/569369822.db2.gz VCSUQBUIIMVFRT-YOEHRIQHSA-N 1 2 407.564 6.024 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000242001069 569369824 /nfs/dbraw/zinc/36/98/24/569369824.db2.gz VCSUQBUIIMVFRT-YOEHRIQHSA-N 1 2 407.564 6.024 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000242196968 569369812 /nfs/dbraw/zinc/36/98/12/569369812.db2.gz XGOLHSORZMIRMQ-BEFAXECRSA-N 1 2 404.539 5.301 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000242196968 569369813 /nfs/dbraw/zinc/36/98/13/569369813.db2.gz XGOLHSORZMIRMQ-BEFAXECRSA-N 1 2 404.539 5.301 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000242196969 569369937 /nfs/dbraw/zinc/36/99/37/569369937.db2.gz XGOLHSORZMIRMQ-KXBFYZLASA-N 1 2 404.539 5.301 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000242196969 569369938 /nfs/dbraw/zinc/36/99/38/569369938.db2.gz XGOLHSORZMIRMQ-KXBFYZLASA-N 1 2 404.539 5.301 50 0 HKAALO C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237805 571219461 /nfs/dbraw/zinc/21/94/61/571219461.db2.gz XGTNCRXWEGUSKF-APWZRJJASA-N 1 2 423.607 5.351 50 0 HKAALO C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237805 571219465 /nfs/dbraw/zinc/21/94/65/571219465.db2.gz XGTNCRXWEGUSKF-APWZRJJASA-N 1 2 423.607 5.351 50 0 HKAALO C[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237806 571219575 /nfs/dbraw/zinc/21/95/75/571219575.db2.gz XGTNCRXWEGUSKF-LPHOPBHVSA-N 1 2 423.607 5.351 50 0 HKAALO C[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237806 571219576 /nfs/dbraw/zinc/21/95/76/571219576.db2.gz XGTNCRXWEGUSKF-LPHOPBHVSA-N 1 2 423.607 5.351 50 0 HKAALO Cc1ccccc1Nc1c([N+](=O)[O-])c(C=[NH+]Nc2ccccc2)nn1-c1ccccc1 ZINC000245245573 568454351 /nfs/dbraw/zinc/45/43/51/568454351.db2.gz DMUHXEXOWBSDAA-UHFFFAOYSA-N 1 2 412.453 5.279 50 0 HKAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380605 571227103 /nfs/dbraw/zinc/22/71/03/571227103.db2.gz BSTMLQINOXQXHS-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380605 571227106 /nfs/dbraw/zinc/22/71/06/571227106.db2.gz BSTMLQINOXQXHS-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380608 571227084 /nfs/dbraw/zinc/22/70/84/571227084.db2.gz CBBBBDUJOXHEOH-MHZLTWQESA-N 1 2 400.566 5.719 50 0 HKAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380608 571227086 /nfs/dbraw/zinc/22/70/86/571227086.db2.gz CBBBBDUJOXHEOH-MHZLTWQESA-N 1 2 400.566 5.719 50 0 HKAALO CCOc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000245380628 571227161 /nfs/dbraw/zinc/22/71/61/571227161.db2.gz DGJHJHYCRJZDDD-MHZLTWQESA-N 1 2 416.565 5.419 50 0 HKAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000245380628 571227164 /nfs/dbraw/zinc/22/71/64/571227164.db2.gz DGJHJHYCRJZDDD-MHZLTWQESA-N 1 2 416.565 5.419 50 0 HKAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 ZINC000245380808 571227367 /nfs/dbraw/zinc/22/73/67/571227367.db2.gz NANBYMCOOZAYPS-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 ZINC000245380808 571227370 /nfs/dbraw/zinc/22/73/70/571227370.db2.gz NANBYMCOOZAYPS-AREMUKBSSA-N 1 2 404.529 5.549 50 0 HKAALO Cc1cccc(C[N@@H+]2CCCN(Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 ZINC000245380879 571227298 /nfs/dbraw/zinc/22/72/98/571227298.db2.gz QSPNZYFXWMPAMX-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 ZINC000245380879 571227300 /nfs/dbraw/zinc/22/73/00/571227300.db2.gz QSPNZYFXWMPAMX-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(CN2CCC[N@H+](Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 ZINC000245380879 571227301 /nfs/dbraw/zinc/22/73/01/571227301.db2.gz QSPNZYFXWMPAMX-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO Cc1cccc(CN2CCC[N@@H+](Cc3ccccc3Cl)[C@H]2c2ccccc2C)c1 ZINC000245380879 571227302 /nfs/dbraw/zinc/22/73/02/571227302.db2.gz QSPNZYFXWMPAMX-SANMLTNESA-N 1 2 404.985 6.364 50 0 HKAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 ZINC000248381407 568917859 /nfs/dbraw/zinc/91/78/59/568917859.db2.gz SZFCEKCSMKSNRQ-WNSKOXEYSA-N 1 2 422.575 5.381 50 0 HKAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 ZINC000248381407 568917861 /nfs/dbraw/zinc/91/78/61/568917861.db2.gz SZFCEKCSMKSNRQ-WNSKOXEYSA-N 1 2 422.575 5.381 50 0 HKAALO CCCC(CCC)C(=O)Nc1ccc2[nH+]c(Nc3cccc(Cl)c3)cc(C)c2c1 ZINC000252493607 569290748 /nfs/dbraw/zinc/29/07/48/569290748.db2.gz NDUJLBYCOMDBIP-UHFFFAOYSA-N 1 2 409.961 7.095 50 0 HKAALO COc1c(C)c[nH+]c(CSc2nc3cc(OC(=O)c4ccccc4)ccc3[nH]2)c1C ZINC000252499625 569372102 /nfs/dbraw/zinc/37/21/02/569372102.db2.gz SCZHZHSJEVJSHL-UHFFFAOYSA-N 1 2 419.506 5.095 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000253531066 569382562 /nfs/dbraw/zinc/38/25/62/569382562.db2.gz YUQGDVFHHITOKI-BBRMVZONSA-N 1 2 410.568 5.362 50 0 HKAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000253531066 569382563 /nfs/dbraw/zinc/38/25/63/569382563.db2.gz YUQGDVFHHITOKI-BBRMVZONSA-N 1 2 410.568 5.362 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000253531067 569382605 /nfs/dbraw/zinc/38/26/05/569382605.db2.gz YUQGDVFHHITOKI-CJNGLKHVSA-N 1 2 410.568 5.362 50 0 HKAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000253531067 569382607 /nfs/dbraw/zinc/38/26/07/569382607.db2.gz YUQGDVFHHITOKI-CJNGLKHVSA-N 1 2 410.568 5.362 50 0 HKAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000263639686 569380884 /nfs/dbraw/zinc/38/08/84/569380884.db2.gz DLWJXGZFUIBSOJ-UHFFFAOYSA-N 1 2 423.788 5.095 50 0 HKAALO FC(F)(F)c1cnc(C[NH+]2CCN(c3cccc4ccccc43)CC2)c(Cl)c1 ZINC000263639880 569380972 /nfs/dbraw/zinc/38/09/72/569380972.db2.gz MXFNCJVYNGAPJD-UHFFFAOYSA-N 1 2 405.851 5.229 50 0 HKAALO CCCCc1[nH]c(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)c[nH+]1 ZINC000299759382 569382379 /nfs/dbraw/zinc/38/23/79/569382379.db2.gz RJYKBNKBNQXCAS-JOCHJYFZSA-N 1 2 421.566 5.725 50 0 HKAALO CCCCc1[nH]cc(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)[nH+]1 ZINC000299759382 569382380 /nfs/dbraw/zinc/38/23/80/569382380.db2.gz RJYKBNKBNQXCAS-JOCHJYFZSA-N 1 2 421.566 5.725 50 0 HKAALO CCCCc1[nH]c(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)c[nH+]1 ZINC000299759385 569382364 /nfs/dbraw/zinc/38/23/64/569382364.db2.gz RJYKBNKBNQXCAS-QFIPXVFZSA-N 1 2 421.566 5.725 50 0 HKAALO CCCCc1[nH]cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)[nH+]1 ZINC000299759385 569382366 /nfs/dbraw/zinc/38/23/66/569382366.db2.gz RJYKBNKBNQXCAS-QFIPXVFZSA-N 1 2 421.566 5.725 50 0 HKAALO C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000328591381 569415037 /nfs/dbraw/zinc/41/50/37/569415037.db2.gz WEQPLAWQAYAECV-KRWDZBQOSA-N 1 2 407.901 5.115 50 0 HKAALO C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000328591382 569414983 /nfs/dbraw/zinc/41/49/83/569414983.db2.gz WEQPLAWQAYAECV-QGZVFWFLSA-N 1 2 407.901 5.115 50 0 HKAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000575617910 568936231 /nfs/dbraw/zinc/93/62/31/568936231.db2.gz SMFCRSVBUPIWJO-FQEVSTJZSA-N 1 2 415.468 5.363 50 0 HKAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000575617913 568936263 /nfs/dbraw/zinc/93/62/63/568936263.db2.gz SMFCRSVBUPIWJO-HXUWFJFHSA-N 1 2 415.468 5.363 50 0 HKAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccccc1OC(F)(F)F ZINC000575619277 569038588 /nfs/dbraw/zinc/03/85/88/569038588.db2.gz JITULDUUHJOPCN-UHFFFAOYSA-N 1 2 401.388 5.037 50 0 HKAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000575619289 569038605 /nfs/dbraw/zinc/03/86/05/569038605.db2.gz JLNJNWJFSYMTOK-UHFFFAOYSA-N 1 2 400.404 5.549 50 0 HKAALO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575620213 569038808 /nfs/dbraw/zinc/03/88/08/569038808.db2.gz OUAGDEOBHRVCRR-UHFFFAOYSA-N 1 2 420.563 5.632 50 0 HKAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1nc(-c2cccs2)cs1 ZINC000585150273 568743186 /nfs/dbraw/zinc/74/31/86/568743186.db2.gz IZVWHTYISNKBGF-UHFFFAOYSA-N 1 2 406.536 5.324 50 0 HKAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000585150351 569029840 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